smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(C[N@H+]2CCCCCNC(=O)C[C@H]2c2ccccc2)cc1 ZINC000257181376 1038415719 /nfs/dbraw/zinc/41/57/19/1038415719.db2.gz NCEOILPEIQYPGM-NRFANRHFSA-N 1 1 347.462 3.792 50 30 EHEAMO C=C(C)C[N@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000053140621 214165824 /nfs/dbraw/zinc/16/58/24/214165824.db2.gz VPYPWBQRESSNMB-UHFFFAOYSA-N 1 1 333.785 3.842 50 30 EHEAMO CC[C@H](C)[N@H+](Cc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000069969955 203066533 /nfs/dbraw/zinc/06/65/33/203066533.db2.gz HYRWUBYQZCPBPV-HNNXBMFYSA-N 1 1 346.434 3.595 50 30 EHEAMO CC[C@H](C)[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000069969955 203066535 /nfs/dbraw/zinc/06/65/35/203066535.db2.gz HYRWUBYQZCPBPV-HNNXBMFYSA-N 1 1 346.434 3.595 50 30 EHEAMO CC1(C)CCC[C@](C)(C#CC[NH+]2CCN(c3ccccc3)CC2)O1 ZINC000019933922 212086446 /nfs/dbraw/zinc/08/64/46/212086446.db2.gz ZWDVOMFYCOKSRA-OAQYLSRUSA-N 1 1 326.484 3.550 50 30 EHEAMO C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3nnc4ccccn43)c2)C1 ZINC000065431495 563960772 /nfs/dbraw/zinc/96/07/72/563960772.db2.gz HUKDJDYHTQZUPE-OAHLLOKOSA-N 1 1 349.438 3.598 50 30 EHEAMO CC[NH+]1CCN(c2oc(-c3ccc(C(C)(C)C)cc3)nc2C#N)CC1 ZINC000005204401 564000575 /nfs/dbraw/zinc/00/05/75/564000575.db2.gz CHAVOGJEGMQJDW-UHFFFAOYSA-N 1 1 338.455 3.653 50 30 EHEAMO CCCCCCCC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000101065061 564017442 /nfs/dbraw/zinc/01/74/42/564017442.db2.gz SOXKIRXZPSXCED-UHFFFAOYSA-N 1 1 349.519 3.980 50 30 EHEAMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1ccc(Br)cc1 ZINC000002760679 564033551 /nfs/dbraw/zinc/03/35/51/564033551.db2.gz KCXRQPMTZUFUEF-UHFFFAOYSA-N 1 1 325.250 3.676 50 30 EHEAMO N#Cc1ccccc1CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095368034 564139325 /nfs/dbraw/zinc/13/93/25/564139325.db2.gz KGUBAZBYVNPQKR-SIKLNZKXSA-N 1 1 331.463 3.655 50 30 EHEAMO N#Cc1ccccc1C[N@H+]1CCC[C@H](c2nccn2CC2CCC2)C1 ZINC000095385204 564139340 /nfs/dbraw/zinc/13/93/40/564139340.db2.gz LQGIAQIHJDVJQA-FQEVSTJZSA-N 1 1 334.467 3.934 50 30 EHEAMO CCC(C#CC[N@@H+]1CCCC[C@H]1c1cccnc1)(CC)OC(C)=O ZINC000055246628 214295609 /nfs/dbraw/zinc/29/56/09/214295609.db2.gz BRAPCPOGOWCNNC-IBGZPJMESA-N 1 1 328.456 3.734 50 30 biogenic EHEAMO CCC(C#CC[N@H+]1CCCC[C@H]1c1cccnc1)(CC)OC(C)=O ZINC000055246628 214295611 /nfs/dbraw/zinc/29/56/11/214295611.db2.gz BRAPCPOGOWCNNC-IBGZPJMESA-N 1 1 328.456 3.734 50 30 biogenic EHEAMO CC[C@H](C)[N@@H+](CC#Cc1ccccc1)Cc1ccc(C#CCO)s1 ZINC000055392810 214316978 /nfs/dbraw/zinc/31/69/78/214316978.db2.gz CXIXVSXRFFLBNI-SFHVURJKSA-N 1 1 337.488 3.744 50 30 EHEAMO C=CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OCC)c(CO)c1 ZINC000055413243 214321036 /nfs/dbraw/zinc/32/10/36/214321036.db2.gz KCEAIFOOWUNQCJ-UHFFFAOYSA-N 1 1 329.415 3.905 50 30 EHEAMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000025444133 202131444 /nfs/dbraw/zinc/13/14/44/202131444.db2.gz BMNQECUBNMKLFB-INIZCTEOSA-N 1 1 343.427 3.925 50 30 EHEAMO Cc1c(C[N@H+]2CCCC[C@H]2CCc2ccc(O)cc2)cc(C#N)n1C ZINC000072157515 203175821 /nfs/dbraw/zinc/17/58/21/203175821.db2.gz DNFMYGYBQHLXNS-IBGZPJMESA-N 1 1 337.467 3.898 50 30 EHEAMO CC(C)(C)c1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)c(O)c1 ZINC000330032762 258002627 /nfs/dbraw/zinc/00/26/27/258002627.db2.gz RNIDDFXOLPXDRB-QGZVFWFLSA-N 1 1 346.471 3.921 50 30 EHEAMO C=CCn1cc(C[N@@H+](Cc2ccsc2)C[C@@H]2CCCO2)c(C)n1 ZINC000055369308 519278130 /nfs/dbraw/zinc/27/81/30/519278130.db2.gz TYPOKIALVNVDKA-SFHVURJKSA-N 1 1 331.485 3.620 50 30 EHEAMO C=CCn1cc(C[N@H+](Cc2ccsc2)C[C@@H]2CCCO2)c(C)n1 ZINC000055369308 519278137 /nfs/dbraw/zinc/27/81/37/519278137.db2.gz TYPOKIALVNVDKA-SFHVURJKSA-N 1 1 331.485 3.620 50 30 EHEAMO CSc1ccc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000012561033 563663147 /nfs/dbraw/zinc/66/31/47/563663147.db2.gz NRNWHIYQAKZDIM-HMMYKYKNSA-N 1 1 325.481 3.560 50 30 EHEAMO C[C@H](C(=O)Nc1ccccc1F)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000082110890 564056285 /nfs/dbraw/zinc/05/62/85/564056285.db2.gz ANMGUGPUGSOAKS-CYBMUJFWSA-N 1 1 344.386 3.705 50 30 EHEAMO C[C@H](C(=O)Nc1ccccc1F)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000082110890 564056286 /nfs/dbraw/zinc/05/62/86/564056286.db2.gz ANMGUGPUGSOAKS-CYBMUJFWSA-N 1 1 344.386 3.705 50 30 EHEAMO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1ccc(C#CC(C)(C)O)s1 ZINC000065488126 564066850 /nfs/dbraw/zinc/06/68/50/564066850.db2.gz GLPFBIXRCZMTNO-QGZVFWFLSA-N 1 1 344.480 3.812 50 30 EHEAMO N#Cc1ccc2nc(-c3ccccc3OCC[NH+]3CCCCC3)[nH]c2c1 ZINC000055254859 564132567 /nfs/dbraw/zinc/13/25/67/564132567.db2.gz UIUCVJJKSMYYQT-UHFFFAOYSA-N 1 1 346.434 3.966 50 30 EHEAMO CC(C)[C@@H]1C=CC[N@H+]1Cc1ccc(C(=O)Nc2ccc(C#N)cn2)cc1 ZINC000065496723 564134366 /nfs/dbraw/zinc/13/43/66/564134366.db2.gz GJJWOQCNJFYBIQ-IBGZPJMESA-N 1 1 346.434 3.602 50 30 EHEAMO Cc1cc(C)c(C#N)c(N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)n1 ZINC000082109152 564135586 /nfs/dbraw/zinc/13/55/86/564135586.db2.gz HICUCTZQEIQEKP-KRWDZBQOSA-N 1 1 335.455 3.561 50 30 EHEAMO Cc1ccsc1/C=N/N1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC000019791227 202020885 /nfs/dbraw/zinc/02/08/85/202020885.db2.gz YERKOSLZJSQSEU-DEDYPNTBSA-N 1 1 327.497 3.825 50 30 EHEAMO N#Cc1c(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)cn2ccccc12 ZINC000025680560 202134081 /nfs/dbraw/zinc/13/40/81/202134081.db2.gz DVDAMULLUKEUJW-UHFFFAOYSA-N 1 1 329.403 3.806 50 30 EHEAMO N#Cc1c(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)cn2ccccc12 ZINC000025680560 202134083 /nfs/dbraw/zinc/13/40/83/202134083.db2.gz DVDAMULLUKEUJW-UHFFFAOYSA-N 1 1 329.403 3.806 50 30 EHEAMO CC[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000030142156 202193491 /nfs/dbraw/zinc/19/34/91/202193491.db2.gz HNQAPZSGUQVVJT-AWEZNQCLSA-N 1 1 345.512 3.949 50 30 EHEAMO CC[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000030142156 202193493 /nfs/dbraw/zinc/19/34/93/202193493.db2.gz HNQAPZSGUQVVJT-AWEZNQCLSA-N 1 1 345.512 3.949 50 30 EHEAMO Cc1c(C[N@H+]2CCCC[C@@H]2CCc2ccc(O)cc2)cc(C#N)n1C ZINC000072157513 203175901 /nfs/dbraw/zinc/17/59/01/203175901.db2.gz DNFMYGYBQHLXNS-LJQANCHMSA-N 1 1 337.467 3.898 50 30 EHEAMO C=CCc1cc(C[NH2+][C@@H](CC)c2ncnn2C)ccc1OC(C)C ZINC000055414393 519131551 /nfs/dbraw/zinc/13/15/51/519131551.db2.gz PHZOAITZNJBGCR-KRWDZBQOSA-N 1 1 328.460 3.572 50 30 EHEAMO C=CC[NH+](CC=C)Cc1c(C)[nH]c2ccc(C(=O)OCC)cc2c1=O ZINC000008578509 563974269 /nfs/dbraw/zinc/97/42/69/563974269.db2.gz BVTLMIKXUVJDSX-UHFFFAOYSA-N 1 1 340.423 3.600 50 30 EHEAMO COc1cc2c(cc1OC)[C@@H]1CC[C@@]3(C)/C(=N/O)CCC[C@@H]3[N@H+]1CC2 ZINC000102197882 564083208 /nfs/dbraw/zinc/08/32/08/564083208.db2.gz NBJFREIVHGTJGX-JKTFSYRSSA-N 1 1 344.455 3.786 50 30 EHEAMO Oc1ccc2ccccc2c1C=NN1CC[NH+](Cc2ccccc2)CC1 ZINC000245231487 564088620 /nfs/dbraw/zinc/08/86/20/564088620.db2.gz DPHIYJOMKUPDTA-UHFFFAOYSA-N 1 1 345.446 3.697 50 30 EHEAMO COc1ccccc1/C=C\C=NN1CC[NH+](Cc2ccccc2)CC1 ZINC000254463869 1018774873 /nfs/dbraw/zinc/77/48/73/1018774873.db2.gz SXOUUKQWOKMHEP-HGYZZIEJSA-N 1 1 335.451 3.512 50 30 EHEAMO C[C@H](NC(=O)[C@@H]1CCC(=O)c2cccn21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329893969 1040783400 /nfs/dbraw/zinc/78/34/00/1040783400.db2.gz JVJPDIGGWGPURO-MPGHIAIKSA-N 1 1 343.471 3.615 50 30 EHEAMO COc1cccc([C@H]2CCCC[N@H+]2Cc2cc(C#CCO)cs2)c1 ZINC000828644644 1131442964 /nfs/dbraw/zinc/44/29/64/1131442964.db2.gz QLSWBGZVWJUJEX-HXUWFJFHSA-N 1 1 341.476 3.828 50 30 EHEAMO N#Cc1cccc(C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1 ZINC000025184572 202127983 /nfs/dbraw/zinc/12/79/83/202127983.db2.gz HCTWXZVHQFNHAP-UHFFFAOYSA-N 1 1 345.446 3.615 50 30 EHEAMO N#Cc1ccc(NC(=O)CCC[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000244678811 243057475 /nfs/dbraw/zinc/05/74/75/243057475.db2.gz IKUHAWQCIBMQMD-IBGZPJMESA-N 1 1 334.423 3.509 50 30 EHEAMO N#Cc1c(N)nc2c(c1-c1ccncc1)[C@H]1CC[C@@H](C2)[N@H+]1C1CCCC1 ZINC000071738858 203105470 /nfs/dbraw/zinc/10/54/70/203105470.db2.gz WVKFDGJBFMYNHT-MAUKXSAKSA-N 1 1 345.450 3.602 50 30 EHEAMO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000071915334 203149108 /nfs/dbraw/zinc/14/91/08/203149108.db2.gz WGEKBLDPUWJVIB-DYESRHJHSA-N 1 1 347.462 3.683 50 30 EHEAMO Cc1ccc2c(c1)[nH]cc2-c1c(C#N)c(N)nc2c1C[N@H+](C)C[C@@H]2C ZINC000072138766 203168296 /nfs/dbraw/zinc/16/82/96/203168296.db2.gz ASBGZZRLGLRGCR-LBPRGKRZSA-N 1 1 331.423 3.541 50 30 EHEAMO C[C@H]1C[C@H](N(C)C(=O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000071915327 203149771 /nfs/dbraw/zinc/14/97/71/203149771.db2.gz NHHZGXOFGFIDHU-LAUBAEHRSA-N 1 1 347.462 3.683 50 30 EHEAMO C=CCC[C@H](O)C[N@@H+](Cc1cccs1)Cc1ccc2c(c1)OCO2 ZINC000036103492 518725141 /nfs/dbraw/zinc/72/51/41/518725141.db2.gz RSLGAFWTOOODHW-INIZCTEOSA-N 1 1 345.464 3.806 50 30 EHEAMO [NH2+]=C(NOC(=O)CC1CCCCC1)c1cccc(Br)c1 ZINC000004827467 526806848 /nfs/dbraw/zinc/80/68/48/526806848.db2.gz NVXVRKZYFXLEJH-UHFFFAOYSA-N 1 1 339.233 3.583 50 30 EHEAMO COc1ccnc(CSC(=[NH2+])Nc2cccc(C(F)(F)F)c2)c1 ZINC000013119807 563688529 /nfs/dbraw/zinc/68/85/29/563688529.db2.gz FUUPKHGOBXZVGE-UHFFFAOYSA-N 1 1 341.358 3.989 50 30 EHEAMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C#N)c1 ZINC000096433709 563952839 /nfs/dbraw/zinc/95/28/39/563952839.db2.gz ARTJNXGBEIQYQN-IBGZPJMESA-N 1 1 348.450 3.544 50 30 EHEAMO N#CC1(NC(=O)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCSCC1 ZINC000328590310 563984195 /nfs/dbraw/zinc/98/41/95/563984195.db2.gz RLFFNBPCNCUKBY-KRWDZBQOSA-N 1 1 343.496 3.644 50 30 EHEAMO C=CC[NH+](CC=C)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000005937101 564057096 /nfs/dbraw/zinc/05/70/96/564057096.db2.gz HDCNGYKPTWTGMT-UHFFFAOYSA-N 1 1 337.448 3.597 50 30 EHEAMO C=CCN1CC[N@H+](Cc2cccc(-c3ccccc3C)c2)CCC1=O ZINC000014996411 564074231 /nfs/dbraw/zinc/07/42/31/564074231.db2.gz YKQAZKPGKLEFBB-UHFFFAOYSA-N 1 1 334.463 3.882 50 30 EHEAMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cccc(Cl)c1 ZINC000007267355 564106165 /nfs/dbraw/zinc/10/61/65/564106165.db2.gz SYPQHHCKPDBIFK-CYBMUJFWSA-N 1 1 327.815 3.671 50 30 EHEAMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000007267355 564106166 /nfs/dbraw/zinc/10/61/66/564106166.db2.gz SYPQHHCKPDBIFK-CYBMUJFWSA-N 1 1 327.815 3.671 50 30 EHEAMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000007417804 564108170 /nfs/dbraw/zinc/10/81/70/564108170.db2.gz WGMKQXMEAFFFKV-MRXNPFEDSA-N 1 1 331.419 3.675 50 30 EHEAMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000007417804 564108171 /nfs/dbraw/zinc/10/81/71/564108171.db2.gz WGMKQXMEAFFFKV-MRXNPFEDSA-N 1 1 331.419 3.675 50 30 EHEAMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccco1 ZINC000008198129 564163495 /nfs/dbraw/zinc/16/34/95/564163495.db2.gz ILTWEMRWCYRZCB-UHFFFAOYSA-N 1 1 343.452 3.552 50 30 EHEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3cccc(F)c3)CC2)c(C)c1 ZINC000019791178 202020699 /nfs/dbraw/zinc/02/06/99/202020699.db2.gz WLIAFOXRNYOJCC-HYARGMPZSA-N 1 1 325.431 3.594 50 30 EHEAMO CN(C)[C@@H]1CC[N@H+](CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1 ZINC000022452295 202085343 /nfs/dbraw/zinc/08/53/43/202085343.db2.gz FXIPXWLVYIHFEP-OAQYLSRUSA-N 1 1 349.478 3.630 50 30 in-vitro EHEAMO CN(C)[C@@H]1CC[N@@H+](CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1 ZINC000022452295 202085346 /nfs/dbraw/zinc/08/53/46/202085346.db2.gz FXIPXWLVYIHFEP-OAQYLSRUSA-N 1 1 349.478 3.630 50 30 in-vitro EHEAMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000025358721 202129804 /nfs/dbraw/zinc/12/98/04/202129804.db2.gz VWKUHQRTFMSTFZ-OAQYLSRUSA-N 1 1 347.462 3.640 50 30 EHEAMO Cc1[nH+]ccn1Cc1cccc(CNc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000032809706 202235480 /nfs/dbraw/zinc/23/54/80/202235480.db2.gz WORAZFVWIIFQLS-UHFFFAOYSA-N 1 1 347.378 3.632 50 30 EHEAMO COc1ccc(/C(C)=N/N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000033281798 202255346 /nfs/dbraw/zinc/25/53/46/202255346.db2.gz YSYLWSXFLHIUGF-RELWKKBWSA-N 1 1 337.467 3.545 50 30 EHEAMO C[N@@H+](CCCSc1ccccc1)Cc1cc(C#CCO)cs1 ZINC000055099550 258014887 /nfs/dbraw/zinc/01/48/87/258014887.db2.gz FVWPOHKIMJVRAA-UHFFFAOYSA-N 1 1 331.506 3.706 50 30 EHEAMO O=C(c1ccccc1)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccccc1 ZINC000004671206 563507605 /nfs/dbraw/zinc/50/76/05/563507605.db2.gz HFZYCAGHKPIUHA-UHFFFAOYSA-O 1 1 347.350 3.649 50 30 EHEAMO C[C@H]1CCCC[N@H+]1Cc1cccc(NC(=O)N2CCC(C#N)CC2)c1 ZINC000299774407 564060792 /nfs/dbraw/zinc/06/07/92/564060792.db2.gz HNUHMRTWHZNXCF-INIZCTEOSA-N 1 1 340.471 3.828 50 30 EHEAMO CSc1ccc(C[N@@H+](Cc2ccc(C#CCO)s2)C2CC2)cc1 ZINC000063868209 564066401 /nfs/dbraw/zinc/06/64/01/564066401.db2.gz FUAYABWSVVCCSA-UHFFFAOYSA-N 1 1 343.517 3.978 50 30 EHEAMO CSc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000007266949 564106131 /nfs/dbraw/zinc/10/61/31/564106131.db2.gz SQHLDMLCLOJAFO-AWEZNQCLSA-N 1 1 339.464 3.739 50 30 EHEAMO CSc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000007266949 564106132 /nfs/dbraw/zinc/10/61/32/564106132.db2.gz SQHLDMLCLOJAFO-AWEZNQCLSA-N 1 1 339.464 3.739 50 30 EHEAMO CCC[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000252475034 564118977 /nfs/dbraw/zinc/11/89/77/564118977.db2.gz QZIRHELQRFXBCX-LPHOPBHVSA-N 1 1 325.456 3.566 50 30 EHEAMO C[C@H](c1ccc(-c2nc3c(cc2C#N)CCCC3)cc1)[NH+]1CCOCC1 ZINC000426489663 564135087 /nfs/dbraw/zinc/13/50/87/564135087.db2.gz OFDLNZFBMDGJGO-MRXNPFEDSA-N 1 1 347.462 3.892 50 30 EHEAMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000079028855 564137689 /nfs/dbraw/zinc/13/76/89/564137689.db2.gz CNTLSAOBWXSAMI-CABCVRRESA-N 1 1 348.516 3.933 50 30 EHEAMO CC[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nccs1 ZINC000096493406 564148777 /nfs/dbraw/zinc/14/87/77/564148777.db2.gz FIWJUHOBJULXRP-GOSISDBHSA-N 1 1 340.496 3.720 50 30 EHEAMO N#Cc1cccnc1N1CCC[N@H+]([C@@H]2CCCc3ccccc32)CC1 ZINC000066437885 564162444 /nfs/dbraw/zinc/16/24/44/564162444.db2.gz UPRGMQOUOXPHGB-HXUWFJFHSA-N 1 1 332.451 3.543 50 30 EHEAMO C=CC[C@H]1C=C(C)C[C@H](CC=C)[N@@H+]1Cc1cccc(C(=O)OC)n1 ZINC000055107780 214273822 /nfs/dbraw/zinc/27/38/22/214273822.db2.gz YNCWYCUQGUGJNG-ROUUACIJSA-N 1 1 326.440 3.910 50 30 EHEAMO CCOc1ccc(/C=N/N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000019833135 202022138 /nfs/dbraw/zinc/02/21/38/202022138.db2.gz LZIYGQHDKZZEKI-CJLVFECKSA-N 1 1 337.467 3.545 50 30 EHEAMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCc3cncnc3C2)cc1 ZINC000069700043 202291687 /nfs/dbraw/zinc/29/16/87/202291687.db2.gz GLSDMQLRQYDOTM-UHFFFAOYSA-N 1 1 326.403 3.574 50 30 EHEAMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCc3cncnc3C2)cc1 ZINC000069700043 202291690 /nfs/dbraw/zinc/29/16/90/202291690.db2.gz GLSDMQLRQYDOTM-UHFFFAOYSA-N 1 1 326.403 3.574 50 30 EHEAMO CC(C)(O)C#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)s1 ZINC000215085995 241104453 /nfs/dbraw/zinc/10/44/53/241104453.db2.gz UNJNMBIHARPHDU-GOSISDBHSA-N 1 1 326.465 3.603 50 30 EHEAMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000071915326 203149980 /nfs/dbraw/zinc/14/99/80/203149980.db2.gz NHHZGXOFGFIDHU-DYESRHJHSA-N 1 1 347.462 3.683 50 30 EHEAMO Cc1c(C[N@H+]2CCC[C@@H](COc3ccc(C)cc3)C2)cc(C#N)n1C ZINC000072147580 203171232 /nfs/dbraw/zinc/17/12/32/203171232.db2.gz UWIQPJUKNYPGJA-GOSISDBHSA-N 1 1 337.467 3.805 50 30 EHEAMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000095397345 218329715 /nfs/dbraw/zinc/32/97/15/218329715.db2.gz WENHNRSCUJUSBQ-OAHLLOKOSA-N 1 1 331.485 3.917 50 30 EHEAMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000095397345 218329719 /nfs/dbraw/zinc/32/97/19/218329719.db2.gz WENHNRSCUJUSBQ-OAHLLOKOSA-N 1 1 331.485 3.917 50 30 EHEAMO N#Cc1ccccc1C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000025186214 258057635 /nfs/dbraw/zinc/05/76/35/258057635.db2.gz MHCPGDLTZUXCLD-UHFFFAOYSA-N 1 1 345.446 3.615 50 30 EHEAMO N#Cc1ccccc1C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000025186214 258057637 /nfs/dbraw/zinc/05/76/37/258057637.db2.gz MHCPGDLTZUXCLD-UHFFFAOYSA-N 1 1 345.446 3.615 50 30 EHEAMO CC(C)C[N@@H+](Cc1ccc(C#CC(C)(C)O)s1)Cc1ccccn1 ZINC000055370477 519718255 /nfs/dbraw/zinc/71/82/55/519718255.db2.gz UVNFANRKFBPVHR-UHFFFAOYSA-N 1 1 342.508 3.924 50 30 EHEAMO COc1ccc(C(=O)C2CC[NH+](Cc3ccccc3C#N)CC2)cc1 ZINC000014095188 563983206 /nfs/dbraw/zinc/98/32/06/563983206.db2.gz NYVYGYPZFCWPAW-UHFFFAOYSA-N 1 1 334.419 3.662 50 30 EHEAMO C=CC[N@H+](C)Cc1ccc(C(=O)N(C)Cc2cccc(OC)c2)cc1 ZINC000075138189 564080582 /nfs/dbraw/zinc/08/05/82/564080582.db2.gz FQXRUMMCAJYJNX-UHFFFAOYSA-N 1 1 338.451 3.585 50 30 EHEAMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1 ZINC000089878674 564114672 /nfs/dbraw/zinc/11/46/72/564114672.db2.gz RPYPKFPUMMEZMQ-KRWDZBQOSA-N 1 1 334.398 3.712 50 30 EHEAMO CC[C@@](C)(C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1)OCCC#N ZINC000055236540 564134570 /nfs/dbraw/zinc/13/45/70/564134570.db2.gz KBFGKQRTONEQHI-UXHICEINSA-N 1 1 325.456 3.711 50 30 EHEAMO CC[C@@](C)(C#CC[N@H+]1CCCC[C@@H]1c1cccnc1)OCCC#N ZINC000055236540 564134571 /nfs/dbraw/zinc/13/45/71/564134571.db2.gz KBFGKQRTONEQHI-UXHICEINSA-N 1 1 325.456 3.711 50 30 EHEAMO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000095351141 564139288 /nfs/dbraw/zinc/13/92/88/564139288.db2.gz PZTIHFIMPJLFGT-UHFFFAOYSA-N 1 1 325.843 3.529 50 30 EHEAMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000110588173 568417593 /nfs/dbraw/zinc/41/75/93/568417593.db2.gz CNTLSAOBWXSAMI-HUUCEWRRSA-N 1 1 348.516 3.933 50 30 EHEAMO C[C@H](c1ccc(Cl)cc1)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000106140915 1041571759 /nfs/dbraw/zinc/57/17/59/1041571759.db2.gz GBMJIHBGVMOHBM-BFUOFWGJSA-N 1 1 345.874 3.674 50 30 EHEAMO C[C@H](c1ccc(Cl)cc1)[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000106140915 1041571772 /nfs/dbraw/zinc/57/17/72/1041571772.db2.gz GBMJIHBGVMOHBM-BFUOFWGJSA-N 1 1 345.874 3.674 50 30 EHEAMO C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)Cc1cccc(C#N)c1 ZINC000048367000 1042322857 /nfs/dbraw/zinc/32/28/57/1042322857.db2.gz MGIMZQBKLZJMTD-UHFFFAOYSA-N 1 1 327.815 3.672 50 30 EHEAMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000025440722 202131357 /nfs/dbraw/zinc/13/13/57/202131357.db2.gz ICQJLLGDWIOSKM-KRWDZBQOSA-N 1 1 339.464 3.655 50 30 EHEAMO C[C@H]1CCCC[N@H+]1C1CN(Cc2ccc(-c3ccccc3C#N)o2)C1 ZINC000072163872 203177315 /nfs/dbraw/zinc/17/73/15/203177315.db2.gz VNLFNYSRVCYDRF-INIZCTEOSA-N 1 1 335.451 3.877 50 30 EHEAMO CC(C)(C)c1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)c(O)c1 ZINC000330032760 258002196 /nfs/dbraw/zinc/00/21/96/258002196.db2.gz RNIDDFXOLPXDRB-KRWDZBQOSA-N 1 1 346.471 3.921 50 30 EHEAMO COc1ccccc1/C=C/C=N/N1CC[NH+](Cc2ccccc2)CC1 ZINC000019771555 258057403 /nfs/dbraw/zinc/05/74/03/258057403.db2.gz SXOUUKQWOKMHEP-AIDHTSIMSA-N 1 1 335.451 3.512 50 30 EHEAMO C=CCn1cc(C[N@@H+](C)[C@H](C)c2ccc(OC)cc2OC)c(C)n1 ZINC000055132040 519278384 /nfs/dbraw/zinc/27/83/84/519278384.db2.gz SDWFXJBYLWRVLD-OAHLLOKOSA-N 1 1 329.444 3.588 50 30 EHEAMO C=CCn1cc(C[N@H+](C)[C@H](C)c2ccc(OC)cc2OC)c(C)n1 ZINC000055132040 519278388 /nfs/dbraw/zinc/27/83/88/519278388.db2.gz SDWFXJBYLWRVLD-OAHLLOKOSA-N 1 1 329.444 3.588 50 30 EHEAMO CCOc1ccccc1/C=N/N1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000022200076 521447976 /nfs/dbraw/zinc/44/79/76/521447976.db2.gz UNRVGCJPHDHAGP-CJLVFECKSA-N 1 1 337.467 3.545 50 30 EHEAMO Cc1cccc(C(=[NH2+])NOC(=O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000004689914 524151028 /nfs/dbraw/zinc/15/10/28/524151028.db2.gz XSYIBUTWBFPXRV-UHFFFAOYSA-N 1 1 340.423 3.535 50 30 EHEAMO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1Cl ZINC000014932093 525407097 /nfs/dbraw/zinc/40/70/97/525407097.db2.gz MABPCGQGRMFJCR-CQSZACIVSA-N 1 1 333.863 3.675 50 30 EHEAMO [NH2+]=C(NOC(=O)c1sccc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000004324012 526810225 /nfs/dbraw/zinc/81/02/25/526810225.db2.gz DUHPSFJWUUCKPM-UHFFFAOYSA-N 1 1 348.733 3.898 50 30 EHEAMO C[C@@H]1CCC[C@@H]2CCC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)[C@H]12 ZINC000058086851 563937301 /nfs/dbraw/zinc/93/73/01/563937301.db2.gz YBPVBGBMLRPWKS-ZHALLVOQSA-N 1 1 331.504 3.572 50 30 EHEAMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C2CC2)O1 ZINC000329896919 564001334 /nfs/dbraw/zinc/00/13/34/564001334.db2.gz CRQAKKFOYCZMGO-PXAZEXFGSA-N 1 1 347.846 3.689 50 30 EHEAMO CC[C@@]1(C)C[C@]2(CCC[N@H+](CC#CCN3CCCCC3)C2)CCO1 ZINC000001786848 564087623 /nfs/dbraw/zinc/08/76/23/564087623.db2.gz QMQBUMXFHNIBGU-SFTDATJTSA-N 1 1 332.532 3.537 50 30 biogenic EHEAMO CC[C@@]1(C)C[C@]2(CCC[N@@H+](CC#CCN3CCCCC3)C2)CCO1 ZINC000001786848 564087624 /nfs/dbraw/zinc/08/76/24/564087624.db2.gz QMQBUMXFHNIBGU-SFTDATJTSA-N 1 1 332.532 3.537 50 30 biogenic EHEAMO CCN(CC)c1ccc(C=[NH+]NC(=S)NCc2ccccc2)cc1 ZINC000013111758 564099420 /nfs/dbraw/zinc/09/94/20/564099420.db2.gz GEMVZPHXNBBWMU-UHFFFAOYSA-N 1 1 340.496 3.531 50 30 aggregator EHEAMO C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000252491429 564119549 /nfs/dbraw/zinc/11/95/49/564119549.db2.gz LMIPLPGKECCNOY-ZYHUDNBSSA-N 1 1 326.227 3.556 50 30 EHEAMO C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000252491429 564119550 /nfs/dbraw/zinc/11/95/50/564119550.db2.gz LMIPLPGKECCNOY-ZYHUDNBSSA-N 1 1 326.227 3.556 50 30 EHEAMO C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@H](C#N)C1 ZINC000252491327 564119560 /nfs/dbraw/zinc/11/95/60/564119560.db2.gz LMIPLPGKECCNOY-JQWIXIFHSA-N 1 1 326.227 3.556 50 30 EHEAMO C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@H](C#N)C1 ZINC000252491327 564119561 /nfs/dbraw/zinc/11/95/61/564119561.db2.gz LMIPLPGKECCNOY-JQWIXIFHSA-N 1 1 326.227 3.556 50 30 EHEAMO CCN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(-c2ccc(C#N)cc2)cc1 ZINC000426369439 564135023 /nfs/dbraw/zinc/13/50/23/564135023.db2.gz VSBYPGTZQCFRHK-SFHVURJKSA-N 1 1 347.462 3.639 50 30 EHEAMO CC[C@]1(C)C[C@@]2(CCC[N@H+](CC#CCN3CCCCC3)C2)CCO1 ZINC000004024940 564160109 /nfs/dbraw/zinc/16/01/09/564160109.db2.gz QMQBUMXFHNIBGU-NHCUHLMSSA-N 1 1 332.532 3.537 50 30 biogenic EHEAMO CC[C@]1(C)C[C@@]2(CCC[N@@H+](CC#CCN3CCCCC3)C2)CCO1 ZINC000004024940 564160110 /nfs/dbraw/zinc/16/01/10/564160110.db2.gz QMQBUMXFHNIBGU-NHCUHLMSSA-N 1 1 332.532 3.537 50 30 biogenic EHEAMO C[C@H](c1ccccc1)[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000009691577 564174464 /nfs/dbraw/zinc/17/44/64/564174464.db2.gz OLLMICCHWYAITF-CYBMUJFWSA-N 1 1 339.464 3.740 50 30 EHEAMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000009691577 564174465 /nfs/dbraw/zinc/17/44/65/564174465.db2.gz OLLMICCHWYAITF-CYBMUJFWSA-N 1 1 339.464 3.740 50 30 EHEAMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000007267346 1128858515 /nfs/dbraw/zinc/85/85/15/1128858515.db2.gz MOWTZSXNCYRUDJ-CYBMUJFWSA-N 1 1 327.815 3.671 50 30 EHEAMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000007267346 1128858517 /nfs/dbraw/zinc/85/85/17/1128858517.db2.gz MOWTZSXNCYRUDJ-CYBMUJFWSA-N 1 1 327.815 3.671 50 30 EHEAMO C=CCc1cc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)cc(OCC)c1OC ZINC000823358245 1131058330 /nfs/dbraw/zinc/05/83/30/1131058330.db2.gz QJGFORGPBXZAPS-SFHVURJKSA-N 1 1 347.499 3.805 50 30 EHEAMO Cc1ccnc(C[C@@H](C)[N@@H+](C)Cc2ccc(C#CC(C)(C)O)cc2)c1 ZINC000055386267 214315582 /nfs/dbraw/zinc/31/55/82/214315582.db2.gz GEQYIDVWLXTCOZ-GOSISDBHSA-N 1 1 336.479 3.575 50 30 EHEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3c(F)cccc3Cl)CC2)cc1 ZINC000022200054 202080944 /nfs/dbraw/zinc/08/09/44/202080944.db2.gz HAZTXQYXSMOVQU-LPYMAVHISA-N 1 1 345.849 3.939 50 30 EHEAMO CC[C@H](CNC(=O)Nc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000031664312 202208202 /nfs/dbraw/zinc/20/82/02/202208202.db2.gz DBBRLQWIDYLMJY-HXUWFJFHSA-N 1 1 348.450 3.517 50 30 EHEAMO CC(C)[C@@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)c1cccnc1 ZINC000328596046 258043074 /nfs/dbraw/zinc/04/30/74/258043074.db2.gz PNQWCMWQDPXSHJ-GOSISDBHSA-N 1 1 343.496 3.898 50 30 EHEAMO CC(C)[C@@H](C(=O)NCC[N@H+]1CCc2sccc2C1)c1cccnc1 ZINC000328596046 258043075 /nfs/dbraw/zinc/04/30/75/258043075.db2.gz PNQWCMWQDPXSHJ-GOSISDBHSA-N 1 1 343.496 3.898 50 30 EHEAMO CCC[N@@H+](Cc1ccc(C#CC(C)(C)O)s1)Cc1cccnc1 ZINC000055153044 521681660 /nfs/dbraw/zinc/68/16/60/521681660.db2.gz YIXFETPNGDXEGY-UHFFFAOYSA-N 1 1 328.481 3.678 50 30 EHEAMO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1cccs1)C1(C#N)CCCCC1 ZINC000014138837 523819152 /nfs/dbraw/zinc/81/91/52/523819152.db2.gz AIGZAYQZFCERIA-OAHLLOKOSA-N 1 1 331.485 3.570 50 30 EHEAMO CN(C(=O)C[N@H+]1CCC[C@@H]1c1cccs1)C1(C#N)CCCCC1 ZINC000014138837 523819158 /nfs/dbraw/zinc/81/91/58/523819158.db2.gz AIGZAYQZFCERIA-OAHLLOKOSA-N 1 1 331.485 3.570 50 30 EHEAMO CC[C@](C)(C#CC[N@@H+]1CCCC[C@H]1c1cccnc1)OCCC#N ZINC000061997645 564002628 /nfs/dbraw/zinc/00/26/28/564002628.db2.gz KBFGKQRTONEQHI-VQTJNVASSA-N 1 1 325.456 3.711 50 30 biogenic EHEAMO CC[C@](C)(C#CC[N@H+]1CCCC[C@H]1c1cccnc1)OCCC#N ZINC000061997645 564002629 /nfs/dbraw/zinc/00/26/29/564002629.db2.gz KBFGKQRTONEQHI-VQTJNVASSA-N 1 1 325.456 3.711 50 30 biogenic EHEAMO CC(=O)OC1(C#CC[N@@H+]2CCCC[C@@H]2c2cccnc2)CCCCC1 ZINC000061997003 564002850 /nfs/dbraw/zinc/00/28/50/564002850.db2.gz WCUBXUJRFAEODR-HXUWFJFHSA-N 1 1 340.467 3.878 50 30 biogenic EHEAMO CC(=O)OC1(C#CC[N@H+]2CCCC[C@@H]2c2cccnc2)CCCCC1 ZINC000061997003 564002851 /nfs/dbraw/zinc/00/28/51/564002851.db2.gz WCUBXUJRFAEODR-HXUWFJFHSA-N 1 1 340.467 3.878 50 30 biogenic EHEAMO N#Cc1cccc(OCC[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000048374851 564031697 /nfs/dbraw/zinc/03/16/97/564031697.db2.gz WDBFKAQOEVRULF-KRWDZBQOSA-N 1 1 347.418 3.958 50 30 EHEAMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)ccc1OC(F)F ZINC000012997914 564086114 /nfs/dbraw/zinc/08/61/14/564086114.db2.gz ZGWXNDKVCQOOFV-UHFFFAOYSA-N 1 1 332.350 3.800 50 30 EHEAMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000095365011 564139303 /nfs/dbraw/zinc/13/93/03/564139303.db2.gz SXFTXFMXMPUHKD-AWEZNQCLSA-N 1 1 327.378 3.720 50 30 EHEAMO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000095365012 564139331 /nfs/dbraw/zinc/13/93/31/564139331.db2.gz SXFTXFMXMPUHKD-CQSZACIVSA-N 1 1 327.378 3.720 50 30 EHEAMO CCn1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1C#N ZINC000670468622 564163154 /nfs/dbraw/zinc/16/31/54/564163154.db2.gz VPYODLLHBHRFKE-MRXNPFEDSA-N 1 1 334.423 3.900 50 30 EHEAMO Cc1c(C[NH2+][C@@H](c2nc3ccc(C)cc3[nH]2)C(C)C)cc(C#N)n1C ZINC000952973042 1137484343 /nfs/dbraw/zinc/48/43/43/1137484343.db2.gz XHJXVDZZEVXGBE-LJQANCHMSA-N 1 1 335.455 3.877 50 30 EHEAMO C=CCOC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104115 518989727 /nfs/dbraw/zinc/98/97/27/518989727.db2.gz HGVWLFAXUOVROQ-IBGZPJMESA-N 1 1 347.405 3.531 50 30 EHEAMO C=CCOC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104115 518989735 /nfs/dbraw/zinc/98/97/35/518989735.db2.gz HGVWLFAXUOVROQ-IBGZPJMESA-N 1 1 347.405 3.531 50 30 EHEAMO C=C(C)C[N@H+](C)Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000065491999 564066818 /nfs/dbraw/zinc/06/68/18/564066818.db2.gz TVIATLJYZOWHAY-UHFFFAOYSA-N 1 1 338.407 3.676 50 30 EHEAMO C=CCSc1nnc([C@H]2CCC[N@@H+](Cc3cccs3)C2)n1C ZINC000015005044 564074228 /nfs/dbraw/zinc/07/42/28/564074228.db2.gz ZVYLNKAPQOKQFU-ZDUSSCGKSA-N 1 1 334.514 3.534 50 30 EHEAMO N#Cc1c2c(sc1NC(=O)C[N@H+]1CCC[C@@H]3CCCC[C@@H]31)CCC2 ZINC000007587373 564117955 /nfs/dbraw/zinc/11/79/55/564117955.db2.gz BGQSRJFKDINVFF-BBRMVZONSA-N 1 1 343.496 3.702 50 30 EHEAMO C[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1ccccc1C#N ZINC000007003147 564133814 /nfs/dbraw/zinc/13/38/14/564133814.db2.gz MPHJBTVWNLJOAE-INIZCTEOSA-N 1 1 348.450 3.988 50 30 EHEAMO C=CCN(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000230476010 564155967 /nfs/dbraw/zinc/15/59/67/564155967.db2.gz QZFDAUGRYHUDJB-WBVHZDCISA-N 1 1 335.879 3.550 50 30 EHEAMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000014093415 568416214 /nfs/dbraw/zinc/41/62/14/568416214.db2.gz PSXMFJVVTBEVSE-GOSISDBHSA-N 1 1 339.826 3.987 50 30 EHEAMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000014093415 568416216 /nfs/dbraw/zinc/41/62/16/568416216.db2.gz PSXMFJVVTBEVSE-GOSISDBHSA-N 1 1 339.826 3.987 50 30 EHEAMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000186521495 1131693259 /nfs/dbraw/zinc/69/32/59/1131693259.db2.gz ISJMXBYFGASNFE-HNNXBMFYSA-N 1 1 346.434 3.599 50 30 EHEAMO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1)c1ccccc1 ZINC000025358725 202129969 /nfs/dbraw/zinc/12/99/69/202129969.db2.gz VWKUHQRTFMSTFZ-NRFANRHFSA-N 1 1 347.462 3.640 50 30 EHEAMO Cc1cc(C#N)ccc1-c1ccc(C(=O)NCC[C@H]2CCC[N@@H+]2C)cc1 ZINC000584901511 563417284 /nfs/dbraw/zinc/41/72/84/563417284.db2.gz DYWPLOVSKLGJAJ-HXUWFJFHSA-N 1 1 347.462 3.748 50 30 EHEAMO N#Cc1ccc(-c2cccc(C[NH2+][C@H](C(N)=O)c3ccccc3)c2)s1 ZINC000072292519 563910225 /nfs/dbraw/zinc/91/02/25/563910225.db2.gz NZCAICCIHNDZOW-IBGZPJMESA-N 1 1 347.443 3.603 50 30 EHEAMO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000012744273 564065542 /nfs/dbraw/zinc/06/55/42/564065542.db2.gz VIMBJEXRJDANRY-UHFFFAOYSA-N 1 1 335.451 3.525 50 30 EHEAMO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000012744273 564065543 /nfs/dbraw/zinc/06/55/43/564065543.db2.gz VIMBJEXRJDANRY-UHFFFAOYSA-N 1 1 335.451 3.525 50 30 EHEAMO CC[C@](C)(C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1)OCCC#N ZINC000055236547 564134560 /nfs/dbraw/zinc/13/45/60/564134560.db2.gz KBFGKQRTONEQHI-WOJBJXKFSA-N 1 1 325.456 3.711 50 30 EHEAMO CC[C@](C)(C#CC[N@H+]1CCCC[C@@H]1c1cccnc1)OCCC#N ZINC000055236547 564134561 /nfs/dbraw/zinc/13/45/61/564134561.db2.gz KBFGKQRTONEQHI-WOJBJXKFSA-N 1 1 325.456 3.711 50 30 EHEAMO C[C@@H](c1ccc(-c2nc3c(cc2C#N)CCCC3)cc1)[NH+]1CCOCC1 ZINC000426489661 564135071 /nfs/dbraw/zinc/13/50/71/564135071.db2.gz OFDLNZFBMDGJGO-INIZCTEOSA-N 1 1 347.462 3.892 50 30 EHEAMO CC[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nccs1 ZINC000096493405 564148771 /nfs/dbraw/zinc/14/87/71/564148771.db2.gz FIWJUHOBJULXRP-SFHVURJKSA-N 1 1 340.496 3.720 50 30 EHEAMO C=CCC1(CC=C)CCCC[N@H+]1CCn1c2ccccc2oc1=O ZINC000055224782 214291551 /nfs/dbraw/zinc/29/15/51/214291551.db2.gz LPLNYWGCVFUDHU-UHFFFAOYSA-N 1 1 326.440 3.971 50 30 EHEAMO CCC12CN3CC(CC)(C[NH+](C1)C3C1(CCC#N)CCCCC1)C2=O ZINC000019332169 202004445 /nfs/dbraw/zinc/00/44/45/202004445.db2.gz KLRHCUZVHPRLOF-UHFFFAOYSA-N 1 1 343.515 3.573 50 30 EHEAMO COc1ccc([C@@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000036408815 201080048 /nfs/dbraw/zinc/08/00/48/201080048.db2.gz MWJNVGMFLSTTPX-QRWLVFNGSA-N 1 1 349.434 3.731 50 30 EHEAMO COc1ccc2[nH]cc(C3CC[NH+](C[C@H](C#N)CCC#N)CC3)c2c1 ZINC000071825128 203121087 /nfs/dbraw/zinc/12/10/87/203121087.db2.gz OOSGFTCCLLYKDS-HNNXBMFYSA-N 1 1 336.439 3.799 50 30 EHEAMO Cc1c(C[N@H+]2CCC[C@H](COc3ccc(C)cc3)C2)cc(C#N)n1C ZINC000072147581 203171836 /nfs/dbraw/zinc/17/18/36/203171836.db2.gz UWIQPJUKNYPGJA-SFHVURJKSA-N 1 1 337.467 3.805 50 30 EHEAMO C=CC[N@H+](CC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C)C1CCCC1 ZINC000048311141 258015456 /nfs/dbraw/zinc/01/54/56/258015456.db2.gz QQGRIUJXJRGZDZ-OAQYLSRUSA-N 1 1 344.499 3.939 50 30 EHEAMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C2CC2)O1 ZINC000329896920 564001325 /nfs/dbraw/zinc/00/13/25/564001325.db2.gz CRQAKKFOYCZMGO-SJCJKPOMSA-N 1 1 347.846 3.689 50 30 EHEAMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000007266150 564106159 /nfs/dbraw/zinc/10/61/59/564106159.db2.gz HMJOVWXIBHNMIV-ZDUSSCGKSA-N 1 1 327.815 3.671 50 30 EHEAMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000007266150 564106160 /nfs/dbraw/zinc/10/61/60/564106160.db2.gz HMJOVWXIBHNMIV-ZDUSSCGKSA-N 1 1 327.815 3.671 50 30 EHEAMO C[C@@H](Nc1ccccc1NC(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000328589849 564136679 /nfs/dbraw/zinc/13/66/79/564136679.db2.gz KKYZKRXOSJGTCV-DNVCBOLYSA-N 1 1 339.439 3.778 50 30 EHEAMO C[C@@H](Nc1ccccc1NC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000328589849 564136680 /nfs/dbraw/zinc/13/66/80/564136680.db2.gz KKYZKRXOSJGTCV-DNVCBOLYSA-N 1 1 339.439 3.778 50 30 EHEAMO Cc1ccc(C#N)c(N2CCC[C@H](c3[nH+]ccn3CC3CCC3)C2)n1 ZINC000095357506 564139219 /nfs/dbraw/zinc/13/92/19/564139219.db2.gz FYCBFOCNGJCMPW-SFHVURJKSA-N 1 1 335.455 3.642 50 30 EHEAMO CC[C@@H](C)[N@H+](Cc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000071856396 203130788 /nfs/dbraw/zinc/13/07/88/203130788.db2.gz BKQVSQMSWMLNKL-OAHLLOKOSA-N 1 1 346.434 3.595 50 30 EHEAMO CC[C@@H](C)[N@@H+](Cc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000071856396 203130792 /nfs/dbraw/zinc/13/07/92/203130792.db2.gz BKQVSQMSWMLNKL-OAHLLOKOSA-N 1 1 346.434 3.595 50 30 EHEAMO CCn1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1C#N ZINC000072454475 203228479 /nfs/dbraw/zinc/22/84/79/203228479.db2.gz SWNOKUCASDONBF-INIZCTEOSA-N 1 1 333.439 3.636 50 30 EHEAMO COc1ccc(Br)cc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000057350694 563366370 /nfs/dbraw/zinc/36/63/70/563366370.db2.gz JJAFIJNXHLNLFI-UHFFFAOYSA-N 1 1 345.240 3.961 50 30 EHEAMO COc1ccc(Br)cc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000057350694 563366372 /nfs/dbraw/zinc/36/63/72/563366372.db2.gz JJAFIJNXHLNLFI-UHFFFAOYSA-N 1 1 345.240 3.961 50 30 EHEAMO Cc1csc(C(=O)ONC(=[NH2+])c2ccc(Cl)cc2)c1Cl ZINC000004324008 563500133 /nfs/dbraw/zinc/50/01/33/563500133.db2.gz KBQGYFPYXFGLIF-UHFFFAOYSA-N 1 1 329.208 3.841 50 30 EHEAMO CC[N@H+]1CCC[C@H]1CNc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000004625964 563935770 /nfs/dbraw/zinc/93/57/70/563935770.db2.gz CDOCZLNYCCDRBR-HNNXBMFYSA-N 1 1 333.439 3.564 50 30 EHEAMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)C(C)(C)C)c1 ZINC000057993741 563936269 /nfs/dbraw/zinc/93/62/69/563936269.db2.gz HQOVQQKRRVXHGY-QGZVFWFLSA-N 1 1 329.488 3.917 50 30 EHEAMO CC[NH+]1CCN(c2oc(-c3cccc4ccccc43)nc2C#N)CC1 ZINC000005277966 564002317 /nfs/dbraw/zinc/00/23/17/564002317.db2.gz YQDKIDCJWYHLCM-UHFFFAOYSA-N 1 1 332.407 3.508 50 30 EHEAMO CC(C)c1nc(C#N)c(NC[C@H](c2ccc(F)cc2F)[NH+](C)C)o1 ZINC000238900806 564105630 /nfs/dbraw/zinc/10/56/30/564105630.db2.gz KCYDPAJCUBIULX-OAHLLOKOSA-N 1 1 334.370 3.663 50 30 EHEAMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC1CC(O)C1 ZINC000193128361 564118488 /nfs/dbraw/zinc/11/84/88/564118488.db2.gz RGSZCTCYJHPQBQ-UHFFFAOYSA-N 1 1 334.463 3.589 50 30 EHEAMO C[C@@H]1CC(=NOC(=O)c2ccc(Cl)c(Cl)c2)[C@@H](C)C[N@H+]1C ZINC000252624354 564123166 /nfs/dbraw/zinc/12/31/66/564123166.db2.gz PMCBESAVNONELO-VHSXEESVSA-N 1 1 329.227 3.866 50 30 EHEAMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000195536087 564123658 /nfs/dbraw/zinc/12/36/58/564123658.db2.gz LZTOQUVABBCKMG-ZIAGYGMSSA-N 1 1 345.512 3.948 50 30 EHEAMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000195536087 564123659 /nfs/dbraw/zinc/12/36/59/564123659.db2.gz LZTOQUVABBCKMG-ZIAGYGMSSA-N 1 1 345.512 3.948 50 30 EHEAMO CN(C[C@@H]1CCCC[N@H+]1C)C(=O)c1cccc(-c2ccccc2C#N)c1 ZINC000426545272 564135064 /nfs/dbraw/zinc/13/50/64/564135064.db2.gz ZZAPZPFUQMSLRL-FQEVSTJZSA-N 1 1 347.462 3.782 50 30 EHEAMO CN(C(=O)C[N@@H+](C)[C@H]1CCCc2ccccc21)C1(C#N)CCCCC1 ZINC000008339516 564164599 /nfs/dbraw/zinc/16/45/99/564164599.db2.gz IIWXDYIPPZPCNX-IBGZPJMESA-N 1 1 339.483 3.681 50 30 EHEAMO C[C@H](NC(=O)[C@@H]1CCC(=O)c2cccn21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329893968 1040782682 /nfs/dbraw/zinc/78/26/82/1040782682.db2.gz JVJPDIGGWGPURO-DAYGRLMNSA-N 1 1 343.471 3.615 50 30 EHEAMO COc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000024715978 202118974 /nfs/dbraw/zinc/11/89/74/202118974.db2.gz MWJNVGMFLSTTPX-YWZLYKJASA-N 1 1 349.434 3.731 50 30 EHEAMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](C)C2)ccc1Cl ZINC000032855963 202238576 /nfs/dbraw/zinc/23/85/76/202238576.db2.gz WZXHHCMNDIZMSQ-AWEZNQCLSA-N 1 1 333.863 3.627 50 30 EHEAMO N#Cc1ccc(NC(=O)CCC[N@H+]2CCCC[C@H]2c2ccccn2)cc1 ZINC000244641193 243051197 /nfs/dbraw/zinc/05/11/97/243051197.db2.gz GLCATYRSZSPWPR-FQEVSTJZSA-N 1 1 348.450 3.899 50 30 EHEAMO C=CCc1cccc(Cl)c1OCCCCN1CC[NH+](CC)CC1 ZINC000020390526 519142590 /nfs/dbraw/zinc/14/25/90/519142590.db2.gz VFFQKBADGQJMBX-UHFFFAOYSA-N 1 1 336.907 3.865 50 30 EHEAMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1cccc(C#N)c1 ZINC000071909546 563575101 /nfs/dbraw/zinc/57/51/01/563575101.db2.gz DZFDUMBDMDWAHM-KRWDZBQOSA-N 1 1 337.427 3.575 50 30 EHEAMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000052803852 564061635 /nfs/dbraw/zinc/06/16/35/564061635.db2.gz GCDDJLYPJKKXRX-QGZVFWFLSA-N 1 1 325.437 3.785 50 30 EHEAMO C[C@H](CCN(C)Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000084637218 564069271 /nfs/dbraw/zinc/06/92/71/564069271.db2.gz AWXFROAKMFJZPY-GOSISDBHSA-N 1 1 346.478 3.772 50 30 EHEAMO C[C@H](CC[N@H+](C)Cc1ccc(C#N)cc1)N(C)Cc1ccc(C#N)cc1 ZINC000084637218 564069272 /nfs/dbraw/zinc/06/92/72/564069272.db2.gz AWXFROAKMFJZPY-GOSISDBHSA-N 1 1 346.478 3.772 50 30 EHEAMO C[C@H](CC[N@@H+](C)Cc1ccc(C#N)cc1)N(C)Cc1ccc(C#N)cc1 ZINC000084637218 564069273 /nfs/dbraw/zinc/06/92/73/564069273.db2.gz AWXFROAKMFJZPY-GOSISDBHSA-N 1 1 346.478 3.772 50 30 EHEAMO Cc1ccsc1C[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000008309944 564164180 /nfs/dbraw/zinc/16/41/80/564164180.db2.gz HWKDLFGJHYBSIF-UHFFFAOYSA-N 1 1 345.493 3.549 50 30 EHEAMO Cc1ccsc1C[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000008309944 564164181 /nfs/dbraw/zinc/16/41/81/564164181.db2.gz HWKDLFGJHYBSIF-UHFFFAOYSA-N 1 1 345.493 3.549 50 30 EHEAMO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc(Cl)s1 ZINC000008985035 564168450 /nfs/dbraw/zinc/16/84/50/564168450.db2.gz MQZUPWCUJJQIBG-UHFFFAOYSA-N 1 1 339.873 3.795 50 30 EHEAMO COc1ncc(Br)cc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000595413966 1025368657 /nfs/dbraw/zinc/36/86/57/1025368657.db2.gz DMEYVICNZZOTAB-LLVKDONJSA-N 1 1 346.228 3.575 50 30 EHEAMO C[C@@H]1C[N@@H+](C)[C@@H](C)C/C1=N/OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000022108071 202079618 /nfs/dbraw/zinc/07/96/18/202079618.db2.gz PMCBESAVNONELO-YDJCQHIWSA-N 1 1 329.227 3.866 50 30 EHEAMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](C)C2)ccc1Cl ZINC000032855962 202239016 /nfs/dbraw/zinc/23/90/16/202239016.db2.gz WZXHHCMNDIZMSQ-CQSZACIVSA-N 1 1 333.863 3.627 50 30 EHEAMO Cc1c(C[N@H+]2CCC[C@H](c3nc4c(cccc4C)[nH]3)C2)cc(C#N)n1C ZINC000072167337 203178798 /nfs/dbraw/zinc/17/87/98/203178798.db2.gz HBRSLYGYXGOYJG-INIZCTEOSA-N 1 1 347.466 3.770 50 30 EHEAMO Cc1c(C[N@@H+]2CCC[C@H](c3nc4cccc(C)c4[nH]3)C2)cc(C#N)n1C ZINC000072167337 203178801 /nfs/dbraw/zinc/17/88/01/203178801.db2.gz HBRSLYGYXGOYJG-INIZCTEOSA-N 1 1 347.466 3.770 50 30 EHEAMO Cc1c(C[N@H+]2CCC[C@H](c3nc4cccc(C)c4[nH]3)C2)cc(C#N)n1C ZINC000072167337 203178803 /nfs/dbraw/zinc/17/88/03/203178803.db2.gz HBRSLYGYXGOYJG-INIZCTEOSA-N 1 1 347.466 3.770 50 30 EHEAMO C=CCCC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccccc2C)C1 ZINC000012836433 258017182 /nfs/dbraw/zinc/01/71/82/258017182.db2.gz PBJPHBFTVWLOJN-LJQANCHMSA-N 1 1 328.500 3.674 50 30 EHEAMO Cc1ccc(C)c(C(=O)ONC(=[NH2+])c2cccc(Br)c2)c1 ZINC000012655360 258055074 /nfs/dbraw/zinc/05/50/74/258055074.db2.gz DXBAWDBSKODTTF-UHFFFAOYSA-N 1 1 347.212 3.543 50 30 EHEAMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036103564 518717889 /nfs/dbraw/zinc/71/78/89/518717889.db2.gz CMSQABHNGDRDQI-LJQANCHMSA-N 1 1 339.435 3.745 50 30 EHEAMO CC[NH+](CC)CCC/C(=N\O)C(O)(c1ccccc1)c1ccccc1 ZINC000013556525 520589854 /nfs/dbraw/zinc/58/98/54/520589854.db2.gz ZELQRYJJSMLNTJ-LSDHQDQOSA-N 1 1 340.467 3.875 50 30 EHEAMO C[C@@H]1CCC[C@H]2CCC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)[C@H]12 ZINC000058086845 563937332 /nfs/dbraw/zinc/93/73/32/563937332.db2.gz YBPVBGBMLRPWKS-ZIFCJYIRSA-N 1 1 331.504 3.572 50 30 EHEAMO C=C(C)C[N@@H+](CC)Cc1nnc(-c2ccccc2Br)o1 ZINC000058086837 564065268 /nfs/dbraw/zinc/06/52/68/564065268.db2.gz NYBZCCGWYVYGDK-UHFFFAOYSA-N 1 1 336.233 3.897 50 30 EHEAMO C=C(C)C[N@H+](CC)Cc1nnc(-c2ccccc2Br)o1 ZINC000058086837 564065269 /nfs/dbraw/zinc/06/52/69/564065269.db2.gz NYBZCCGWYVYGDK-UHFFFAOYSA-N 1 1 336.233 3.897 50 30 EHEAMO C=CCc1ccc(OCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000013153564 564073760 /nfs/dbraw/zinc/07/37/60/564073760.db2.gz UBKHTBJCEMMMIX-CALCHBBNSA-N 1 1 333.472 3.692 50 30 EHEAMO COc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1OC(F)F ZINC000026452921 564082248 /nfs/dbraw/zinc/08/22/48/564082248.db2.gz KZOCINJUKCREFV-UHFFFAOYSA-N 1 1 332.350 3.800 50 30 EHEAMO CSc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000007266950 564106146 /nfs/dbraw/zinc/10/61/46/564106146.db2.gz SQHLDMLCLOJAFO-CQSZACIVSA-N 1 1 339.464 3.739 50 30 EHEAMO CSc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000007266950 564106147 /nfs/dbraw/zinc/10/61/47/564106147.db2.gz SQHLDMLCLOJAFO-CQSZACIVSA-N 1 1 339.464 3.739 50 30 EHEAMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000170626899 564110542 /nfs/dbraw/zinc/11/05/42/564110542.db2.gz FIIWAEDRJKLCTF-HKUYNNGSSA-N 1 1 329.488 3.540 50 30 EHEAMO COc1ccc(C(C)=NN2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000252640393 564124644 /nfs/dbraw/zinc/12/46/44/564124644.db2.gz YSYLWSXFLHIUGF-UHFFFAOYSA-N 1 1 337.467 3.545 50 30 EHEAMO N#Cc1ccccc1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000058161366 564157844 /nfs/dbraw/zinc/15/78/44/564157844.db2.gz AJHTYAVRELYNCC-UHFFFAOYSA-N 1 1 341.414 3.876 50 30 EHEAMO N#Cc1ccccc1NC(=O)CC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000058161163 564157859 /nfs/dbraw/zinc/15/78/59/564157859.db2.gz QXCQWIJSWBKGPA-UHFFFAOYSA-N 1 1 337.423 3.925 50 30 EHEAMO CC1(C)CCC[C@@](C)(C#CC[NH+]2CCN(c3ccccc3)CC2)O1 ZINC000019933920 212086365 /nfs/dbraw/zinc/08/63/65/212086365.db2.gz ZWDVOMFYCOKSRA-NRFANRHFSA-N 1 1 326.484 3.550 50 30 EHEAMO C=C(C)C[N@H+](C)Cc1ccc(C(=O)Nc2c(C)cccc2CO)cc1 ZINC000065407945 258011949 /nfs/dbraw/zinc/01/19/49/258011949.db2.gz LVZKQXHNVBWLRM-UHFFFAOYSA-N 1 1 338.451 3.748 50 30 EHEAMO CC[N@@H+](CCOc1c(C)cccc1C)Cc1ccc(C#CCO)s1 ZINC000055118781 521147877 /nfs/dbraw/zinc/14/78/77/521147877.db2.gz QVQJEUNPIVKCNF-UHFFFAOYSA-N 1 1 343.492 3.610 50 30 EHEAMO Cc1cc(C#N)ccc1-c1ccc(C(=O)NCC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000584901510 563967510 /nfs/dbraw/zinc/96/75/10/563967510.db2.gz DYWPLOVSKLGJAJ-FQEVSTJZSA-N 1 1 347.462 3.748 50 30 EHEAMO C=CCC[C@H](C[N@H+](C)Cc1cnccn1)Oc1ccnc2ccccc21 ZINC000072474121 564063859 /nfs/dbraw/zinc/06/38/59/564063859.db2.gz CCHYLICFKZYRSL-GOSISDBHSA-N 1 1 348.450 3.870 50 30 EHEAMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000095953660 564142434 /nfs/dbraw/zinc/14/24/34/564142434.db2.gz FIXGIMLGMNQNGK-KBPBESRZSA-N 1 1 331.485 3.750 50 30 EHEAMO Cc1c(Cl)cccc1N1CCC[N@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000284695547 564149193 /nfs/dbraw/zinc/14/91/93/564149193.db2.gz IDMAAKWBFUYXPX-MRXNPFEDSA-N 1 1 330.863 3.604 50 30 EHEAMO Cc1c(Cl)cccc1N1CCC[N@@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000284695547 564149194 /nfs/dbraw/zinc/14/91/94/564149194.db2.gz IDMAAKWBFUYXPX-MRXNPFEDSA-N 1 1 330.863 3.604 50 30 EHEAMO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1Br ZINC000097109850 564149451 /nfs/dbraw/zinc/14/94/51/564149451.db2.gz XLHVMCLADOEPRJ-SECBINFHSA-N 1 1 334.217 3.776 50 30 EHEAMO C[C@H]1CCc2c(C#N)c(NC(=O)C[NH+]3CCCCCCC3)sc2C1 ZINC000003345213 564157501 /nfs/dbraw/zinc/15/75/01/564157501.db2.gz PUNFLPHWYHIZCD-AWEZNQCLSA-N 1 1 345.512 3.949 50 30 EHEAMO C[C@@H](c1cccs1)[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000009458949 564173770 /nfs/dbraw/zinc/17/37/70/564173770.db2.gz WFBPKQYCNDITAA-NSHDSACASA-N 1 1 345.493 3.801 50 30 EHEAMO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000009458949 564173771 /nfs/dbraw/zinc/17/37/71/564173771.db2.gz WFBPKQYCNDITAA-NSHDSACASA-N 1 1 345.493 3.801 50 30 EHEAMO NC(=[NH+]OCC(=O)Nc1ccc(-c2ccccc2)cc1)C1CCCC1 ZINC000060741863 1032787811 /nfs/dbraw/zinc/78/78/11/1032787811.db2.gz SRKMQRXIQVZRJZ-UHFFFAOYSA-N 1 1 337.423 3.771 50 30 EHEAMO Cc1ccc2oc(N3CC[NH+]([C@H](C)c4cccc(C#N)c4)CC3)nc2c1 ZINC000182740754 1125363283 /nfs/dbraw/zinc/36/32/83/1125363283.db2.gz PWONPSWJHSCVNO-MRXNPFEDSA-N 1 1 346.434 3.891 50 30 EHEAMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000025440719 202131545 /nfs/dbraw/zinc/13/15/45/202131545.db2.gz ICQJLLGDWIOSKM-QGZVFWFLSA-N 1 1 339.464 3.655 50 30 EHEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccc(Cl)cc3)CC2)cc1 ZINC000033314837 202257587 /nfs/dbraw/zinc/25/75/87/202257587.db2.gz KVFMKQZHMDBQPJ-KGENOOAVSA-N 1 1 327.859 3.800 50 30 EHEAMO C#CC[N@@H+](CC=C)Cc1c[nH]nc1-c1ccc2cc(OC)ccc2c1 ZINC000020536776 212144615 /nfs/dbraw/zinc/14/46/15/212144615.db2.gz YRASOSXWMCSDSB-UHFFFAOYSA-N 1 1 331.419 3.860 50 30 EHEAMO C#CC[N@H+](CC=C)Cc1c[nH]nc1-c1ccc2cc(OC)ccc2c1 ZINC000020536776 212144617 /nfs/dbraw/zinc/14/46/17/212144617.db2.gz YRASOSXWMCSDSB-UHFFFAOYSA-N 1 1 331.419 3.860 50 30 EHEAMO C=CCN1CC[N@@H+](Cc2ccc(-c3cccc(Cl)c3)o2)CCC1=O ZINC000299769393 258006300 /nfs/dbraw/zinc/00/63/00/258006300.db2.gz MUWXHRJKECZOBR-UHFFFAOYSA-N 1 1 344.842 3.820 50 30 EHEAMO C=CCN1CC[N@H+](Cc2ccc(-c3cccc(Cl)c3)o2)CCC1=O ZINC000299769393 258006302 /nfs/dbraw/zinc/00/63/02/258006302.db2.gz MUWXHRJKECZOBR-UHFFFAOYSA-N 1 1 344.842 3.820 50 30 EHEAMO N#Cc1ccsc1NC(=O)CC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000053139715 564066964 /nfs/dbraw/zinc/06/69/64/564066964.db2.gz DPQSBCONPXDEMI-UHFFFAOYSA-N 1 1 343.452 3.986 50 30 EHEAMO C[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1ccc(C#N)cc1 ZINC000007003219 564102997 /nfs/dbraw/zinc/10/29/97/564102997.db2.gz HLRSEDLFLWEAEA-INIZCTEOSA-N 1 1 348.450 3.988 50 30 EHEAMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000252444464 564118447 /nfs/dbraw/zinc/11/84/47/564118447.db2.gz GZIGGMKMSKTHPD-BBRMVZONSA-N 1 1 325.437 3.784 50 30 EHEAMO C=CCN(C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000230476055 564155975 /nfs/dbraw/zinc/15/59/75/564155975.db2.gz QZFDAUGRYHUDJB-RDJZCZTQSA-N 1 1 335.879 3.550 50 30 EHEAMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCCCC2)c1C#N ZINC000008733891 564167068 /nfs/dbraw/zinc/16/70/68/564167068.db2.gz SUNMTOOBGUWUSP-UHFFFAOYSA-N 1 1 328.460 3.516 50 30 EHEAMO N#Cc1ccc(C[N@H+]2CCCCCNC(=O)C[C@@H]2c2ccccc2)cc1 ZINC000257181377 1034809481 /nfs/dbraw/zinc/80/94/81/1034809481.db2.gz NCEOILPEIQYPGM-OAQYLSRUSA-N 1 1 347.462 3.792 50 30 EHEAMO Cc1ccc2oc(N3CC[NH+]([C@@H](C)c4cccc(C#N)c4)CC3)nc2c1 ZINC000182740730 1125363468 /nfs/dbraw/zinc/36/34/68/1125363468.db2.gz PWONPSWJHSCVNO-INIZCTEOSA-N 1 1 346.434 3.891 50 30 EHEAMO CC[N@H+]1CCC[C@@H]1CNc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000004625963 210235677 /nfs/dbraw/zinc/23/56/77/210235677.db2.gz CDOCZLNYCCDRBR-OAHLLOKOSA-N 1 1 333.439 3.564 50 30 EHEAMO C[C@@H](C(=O)Nc1ccc(C#N)cc1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000003540625 210050423 /nfs/dbraw/zinc/05/04/23/210050423.db2.gz KYUVIKJUSNJHEF-ZDUSSCGKSA-N 1 1 327.815 3.671 50 30 EHEAMO C[C@@H](C(=O)Nc1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000003540625 210050425 /nfs/dbraw/zinc/05/04/25/210050425.db2.gz KYUVIKJUSNJHEF-ZDUSSCGKSA-N 1 1 327.815 3.671 50 30 EHEAMO Cc1ccc(C[NH+]2CCN(/N=C\c3c(F)cccc3Cl)CC2)cc1 ZINC000019594606 212050682 /nfs/dbraw/zinc/05/06/82/212050682.db2.gz HAZTXQYXSMOVQU-XKZIYDEJSA-N 1 1 345.849 3.939 50 30 EHEAMO C=CC[C@@]1(CO)CCC[N@@H+](Cc2nc(C)cc(-c3ccccc3)n2)C1 ZINC000091603123 218030779 /nfs/dbraw/zinc/03/07/79/218030779.db2.gz LRCFMRATMZGLFV-OAQYLSRUSA-N 1 1 337.467 3.603 50 30 EHEAMO C=CC[C@@]1(CO)CCC[N@H+](Cc2nc(C)cc(-c3ccccc3)n2)C1 ZINC000091603123 218030781 /nfs/dbraw/zinc/03/07/81/218030781.db2.gz LRCFMRATMZGLFV-OAQYLSRUSA-N 1 1 337.467 3.603 50 30 EHEAMO C[C@H](c1cccs1)[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000009458951 211087516 /nfs/dbraw/zinc/08/75/16/211087516.db2.gz WFBPKQYCNDITAA-LLVKDONJSA-N 1 1 345.493 3.801 50 30 EHEAMO C[C@H](c1cccs1)[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000009458951 211087520 /nfs/dbraw/zinc/08/75/20/211087520.db2.gz WFBPKQYCNDITAA-LLVKDONJSA-N 1 1 345.493 3.801 50 30 EHEAMO CCN(C)c1ccc(/C=[NH+]/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000000259798 563989623 /nfs/dbraw/zinc/98/96/23/563989623.db2.gz KNVFNRHLVVOXGC-PXLXIMEGSA-N 1 1 348.450 3.691 50 30 EHEAMO N#Cc1cccc(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000048343162 564031225 /nfs/dbraw/zinc/03/12/25/564031225.db2.gz WXOIVKSMUQLTMC-UHFFFAOYSA-N 1 1 340.471 3.678 50 30 EHEAMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000007266151 564106142 /nfs/dbraw/zinc/10/61/42/564106142.db2.gz HMJOVWXIBHNMIV-CYBMUJFWSA-N 1 1 327.815 3.671 50 30 EHEAMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000007266151 564106143 /nfs/dbraw/zinc/10/61/43/564106143.db2.gz HMJOVWXIBHNMIV-CYBMUJFWSA-N 1 1 327.815 3.671 50 30 EHEAMO Cc1ccc(C=NN2CC[NH+](Cc3ccc(C)cc3C)CC2)s1 ZINC000002705079 564128949 /nfs/dbraw/zinc/12/89/49/564128949.db2.gz RWJWQVGTKBUHNR-UHFFFAOYSA-N 1 1 327.497 3.825 50 30 EHEAMO CC[N@@H+](CCC(=O)Nc1ccccc1)Cc1ccc(C#N)cc1F ZINC000052824879 214149409 /nfs/dbraw/zinc/14/94/09/214149409.db2.gz LYYQTHDSEGDCIK-UHFFFAOYSA-N 1 1 325.387 3.548 50 30 EHEAMO C[C@@H]1C[N@@H+](C)[C@H](C)C/C1=N\OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000004472695 210197357 /nfs/dbraw/zinc/19/73/57/210197357.db2.gz PMCBESAVNONELO-LCWMGDKPSA-N 1 1 329.227 3.866 50 30 EHEAMO Cc1ccc(C[NH+]2CCN(/N=C\c3cccc(Cl)c3)CC2)cc1 ZINC000022107514 212278103 /nfs/dbraw/zinc/27/81/03/212278103.db2.gz BBCJATHFFDATNK-STZFKDTASA-N 1 1 327.859 3.800 50 30 EHEAMO CCN(CC)c1ccc(/C=[NH+]/NC(=S)Nc2ccccc2)cc1 ZINC000000491649 563338353 /nfs/dbraw/zinc/33/83/53/563338353.db2.gz DRCVCGPCPLQWDM-XMHGGMMESA-N 1 1 326.469 3.853 50 30 EHEAMO C[NH+]1CCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000036385037 563920268 /nfs/dbraw/zinc/92/02/68/563920268.db2.gz YMHXBLYNWADRDL-UHFFFAOYSA-N 1 1 327.453 3.644 50 30 EHEAMO Cn1cc(CNc2cc(C3CC3)cc[nH+]2)c(-c2ccc(C#N)cc2)n1 ZINC000289797569 563996443 /nfs/dbraw/zinc/99/64/43/563996443.db2.gz LXOYMKLIEDARLY-UHFFFAOYSA-N 1 1 329.407 3.843 50 30 EHEAMO C=C(C)C[NH+]1CCN(C(=O)c2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000426441680 564093757 /nfs/dbraw/zinc/09/37/57/564093757.db2.gz BNEXRCLQQUHOET-UHFFFAOYSA-N 1 1 345.446 3.559 50 30 EHEAMO Cc1nc(C#N)c(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)o1 ZINC000027793998 564134540 /nfs/dbraw/zinc/13/45/40/564134540.db2.gz AWYDKFHWPMYNOR-MRXNPFEDSA-N 1 1 330.819 3.757 50 30 EHEAMO CC[N@H+](CC(=O)Nc1ccc(Cl)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741791 564175217 /nfs/dbraw/zinc/17/52/17/564175217.db2.gz LWPDCFHUOAXILC-CYBMUJFWSA-N 1 1 342.830 3.628 50 30 EHEAMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741791 564175218 /nfs/dbraw/zinc/17/52/18/564175218.db2.gz LWPDCFHUOAXILC-CYBMUJFWSA-N 1 1 342.830 3.628 50 30 EHEAMO C[C@@H]1C[N@@H+](C)[C@H](C)C/C1=N/OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000022108065 1017692517 /nfs/dbraw/zinc/69/25/17/1017692517.db2.gz PMCBESAVNONELO-UCXQEBQRSA-N 1 1 329.227 3.866 50 30 EHEAMO C=CCn1cc(C[N@H+]2CCC[C@H](c3nc4c(cccc4C)[nH]3)C2)c(C)n1 ZINC000055270408 214299580 /nfs/dbraw/zinc/29/95/80/214299580.db2.gz WMGMTYYTHWDFIF-KRWDZBQOSA-N 1 1 349.482 3.942 50 30 EHEAMO C=CCn1cc(C[N@@H+]2CCC[C@H](c3nc4cccc(C)c4[nH]3)C2)c(C)n1 ZINC000055270408 214299585 /nfs/dbraw/zinc/29/95/85/214299585.db2.gz WMGMTYYTHWDFIF-KRWDZBQOSA-N 1 1 349.482 3.942 50 30 EHEAMO C=CCn1cc(C[N@H+]2CCC[C@H](c3nc4cccc(C)c4[nH]3)C2)c(C)n1 ZINC000055270408 214299589 /nfs/dbraw/zinc/29/95/89/214299589.db2.gz WMGMTYYTHWDFIF-KRWDZBQOSA-N 1 1 349.482 3.942 50 30 EHEAMO CC[C@]1(C)C[C@]2(CCC[N@H+](CC#CCN3CCCCC3)C2)CCO1 ZINC000004024943 210101459 /nfs/dbraw/zinc/10/14/59/210101459.db2.gz QMQBUMXFHNIBGU-RTWAWAEBSA-N 1 1 332.532 3.537 50 30 biogenic EHEAMO CC[C@]1(C)C[C@]2(CCC[N@@H+](CC#CCN3CCCCC3)C2)CCO1 ZINC000004024943 210101461 /nfs/dbraw/zinc/10/14/61/210101461.db2.gz QMQBUMXFHNIBGU-RTWAWAEBSA-N 1 1 332.532 3.537 50 30 biogenic EHEAMO N#Cc1c(Cl)nsc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000076685463 216804466 /nfs/dbraw/zinc/80/44/66/216804466.db2.gz XGGWTLLXHUJKLV-CYBMUJFWSA-N 1 1 332.860 3.745 50 30 EHEAMO C=CC[C@]1(CO)CCC[N@@H+](Cc2nc(C)cc(-c3ccccc3)n2)C1 ZINC000091603130 218030464 /nfs/dbraw/zinc/03/04/64/218030464.db2.gz LRCFMRATMZGLFV-NRFANRHFSA-N 1 1 337.467 3.603 50 30 EHEAMO C=CC[C@]1(CO)CCC[N@H+](Cc2nc(C)cc(-c3ccccc3)n2)C1 ZINC000091603130 218030466 /nfs/dbraw/zinc/03/04/66/218030466.db2.gz LRCFMRATMZGLFV-NRFANRHFSA-N 1 1 337.467 3.603 50 30 EHEAMO N#Cc1ccccc1NC(=O)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000011154941 211205852 /nfs/dbraw/zinc/20/58/52/211205852.db2.gz HBFCHEVHPCEPDU-UHFFFAOYSA-N 1 1 347.462 3.842 50 30 EHEAMO C=CC[N@H+](CC(=O)N[C@H](c1ccc(OC)cc1)C(C)C)C1CCCC1 ZINC000048311139 258015539 /nfs/dbraw/zinc/01/55/39/258015539.db2.gz QQGRIUJXJRGZDZ-NRFANRHFSA-N 1 1 344.499 3.939 50 30 EHEAMO CN(C(=O)C[N@@H+]1CCC[C@H]1c1cccs1)C1(C#N)CCCCC1 ZINC000014138838 563744410 /nfs/dbraw/zinc/74/44/10/563744410.db2.gz AIGZAYQZFCERIA-HNNXBMFYSA-N 1 1 331.485 3.570 50 30 EHEAMO CN(C(=O)C[N@H+]1CCC[C@H]1c1cccs1)C1(C#N)CCCCC1 ZINC000014138838 563744413 /nfs/dbraw/zinc/74/44/13/563744413.db2.gz AIGZAYQZFCERIA-HNNXBMFYSA-N 1 1 331.485 3.570 50 30 EHEAMO C[C@@H](C(=O)Nc1ccccc1F)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000082110889 564056252 /nfs/dbraw/zinc/05/62/52/564056252.db2.gz ANMGUGPUGSOAKS-ZDUSSCGKSA-N 1 1 344.386 3.705 50 30 EHEAMO C[C@@H](C(=O)Nc1ccccc1F)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000082110889 564056253 /nfs/dbraw/zinc/05/62/53/564056253.db2.gz ANMGUGPUGSOAKS-ZDUSSCGKSA-N 1 1 344.386 3.705 50 30 EHEAMO C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000007003048 564103021 /nfs/dbraw/zinc/10/30/21/564103021.db2.gz GSIBKHHJJOQXGZ-MRXNPFEDSA-N 1 1 348.450 3.988 50 30 EHEAMO Cc1[nH+]ccn1CCNc1cccc(OCc2cccc(C#N)c2)c1 ZINC000095468705 564141218 /nfs/dbraw/zinc/14/12/18/564141218.db2.gz WAZSPRMERSCICU-UHFFFAOYSA-N 1 1 332.407 3.754 50 30 EHEAMO CC(C)CC[NH+](CC#C[C@H](CO)NCc1ccccc1)CCC(C)C ZINC000022185007 1018330687 /nfs/dbraw/zinc/33/06/87/1018330687.db2.gz VGMOMMDHUGLLJZ-JOCHJYFZSA-N 1 1 344.543 3.535 50 30 EHEAMO Cc1c(C[N@H+]2CCC[C@H](C(=O)CCc3ccccc3)C2)cc(C#N)n1C ZINC000072411280 216203483 /nfs/dbraw/zinc/20/34/83/216203483.db2.gz GPJDQJZMVWJHTL-IBGZPJMESA-N 1 1 349.478 3.619 50 30 EHEAMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000230212459 242249185 /nfs/dbraw/zinc/24/91/85/242249185.db2.gz FIIWAEDRJKLCTF-IEBWSBKVSA-N 1 1 329.488 3.540 50 30 EHEAMO N#Cc1nc(-c2ccccc2)oc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000019898767 212080934 /nfs/dbraw/zinc/08/09/34/212080934.db2.gz DYKJRLKDIYLIFX-UHFFFAOYSA-N 1 1 344.418 3.535 50 30 EHEAMO C[N@H+]1CCc2nc(SCc3cccc(Cl)c3)c(C#N)cc2C1 ZINC000019852750 212076571 /nfs/dbraw/zinc/07/65/71/212076571.db2.gz GRXYAXNYJQHVIY-UHFFFAOYSA-N 1 1 329.856 3.887 50 30 EHEAMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000190039429 534081151 /nfs/dbraw/zinc/08/11/51/534081151.db2.gz OQYLZXXSYFCUED-AWEZNQCLSA-N 1 1 342.389 3.881 50 30 EHEAMO C=CCC[C@@H](O)C[N@H+](CCC(C)C)Cc1cc(OC)cc(OC)c1 ZINC000036095148 518711993 /nfs/dbraw/zinc/71/19/93/518711993.db2.gz IRVMIROHBPAEEE-GOSISDBHSA-N 1 1 335.488 3.879 50 30 EHEAMO C=CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000003386361 519031543 /nfs/dbraw/zinc/03/15/43/519031543.db2.gz ZKDSDJNDFIZANB-UHFFFAOYSA-N 1 1 342.414 3.769 50 30 EHEAMO C=CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000003386361 519031547 /nfs/dbraw/zinc/03/15/47/519031547.db2.gz ZKDSDJNDFIZANB-UHFFFAOYSA-N 1 1 342.414 3.769 50 30 EHEAMO C=CCOc1ccccc1C[N@H+](CC)Cc1cnc(NC(C)C)nc1 ZINC000055307571 519066807 /nfs/dbraw/zinc/06/68/07/519066807.db2.gz FIWOKEDPZZENMT-UHFFFAOYSA-N 1 1 340.471 3.884 50 30 EHEAMO C=CCOc1ccccc1C[N@@H+](CC)Cc1cnc(NC(C)C)nc1 ZINC000055307571 519066813 /nfs/dbraw/zinc/06/68/13/519066813.db2.gz FIWOKEDPZZENMT-UHFFFAOYSA-N 1 1 340.471 3.884 50 30 EHEAMO C=CCn1cc(C[NH2+]CCCc2nc3ccc(C)c(C)c3[nH]2)c(C)n1 ZINC000055282962 519280616 /nfs/dbraw/zinc/28/06/16/519280616.db2.gz HZJPCNWMBNMTMB-UHFFFAOYSA-N 1 1 337.471 3.593 50 30 EHEAMO Cc1ccccc1C(=[NH2+])NOC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000014074960 525037039 /nfs/dbraw/zinc/03/70/39/525037039.db2.gz MFMAGXCXCHVEIS-UHFFFAOYSA-N 1 1 337.206 3.708 50 30 EHEAMO C=CCn1ncc(C[N@@H+](CC)CCc2nc3ccc(C)cc3[nH]2)c1C ZINC000067490470 563892492 /nfs/dbraw/zinc/89/24/92/563892492.db2.gz OCXOFYNOFUCACB-UHFFFAOYSA-N 1 1 337.471 3.627 50 30 EHEAMO N#Cc1c(NC(=O)C[NH+]2CCCCCC2)sc2c1CCCCC2 ZINC000000090109 563976520 /nfs/dbraw/zinc/97/65/20/563976520.db2.gz BBVSVQYOYWTYEN-UHFFFAOYSA-N 1 1 331.485 3.703 50 30 EHEAMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C2CC2)O1 ZINC000329896922 564001320 /nfs/dbraw/zinc/00/13/20/564001320.db2.gz CRQAKKFOYCZMGO-YVEFUNNKSA-N 1 1 347.846 3.689 50 30 EHEAMO C[C@H](C1CC1)[N@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000108348675 564028112 /nfs/dbraw/zinc/02/81/12/564028112.db2.gz FIXGIMLGMNQNGK-UONOGXRCSA-N 1 1 331.485 3.750 50 30 EHEAMO Cc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000012686455 564062639 /nfs/dbraw/zinc/06/26/39/564062639.db2.gz FYAXKXDLPHEXRL-UHFFFAOYSA-N 1 1 348.450 3.607 50 30 EHEAMO Cc1cc(C)c(C#N)c(N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)n1 ZINC000082109153 564135617 /nfs/dbraw/zinc/13/56/17/564135617.db2.gz HICUCTZQEIQEKP-QGZVFWFLSA-N 1 1 335.455 3.561 50 30 EHEAMO C[C@H](CNC(=O)C=Cc1ccc2c(c1)OCO2)[N@H+]1CCCC[C@H]1C ZINC000328590732 1017953118 /nfs/dbraw/zinc/95/31/18/1017953118.db2.gz JJJARMKQMCPYOB-VIGJRRFGSA-N 1 1 330.428 3.648 50 30 EHEAMO CSc1ccc(C[N@@H+](Cc2cc(C#CCO)cs2)C2CC2)cc1 ZINC000828644471 1131443044 /nfs/dbraw/zinc/44/30/44/1131443044.db2.gz VEUAEENMTYIQLC-UHFFFAOYSA-N 1 1 343.517 3.978 50 30 EHEAMO CCn1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1C#N ZINC000072454476 216241647 /nfs/dbraw/zinc/24/16/47/216241647.db2.gz SWNOKUCASDONBF-MRXNPFEDSA-N 1 1 333.439 3.636 50 30 EHEAMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000230212463 242250756 /nfs/dbraw/zinc/25/07/56/242250756.db2.gz FIIWAEDRJKLCTF-PKOBYXMFSA-N 1 1 329.488 3.540 50 30 EHEAMO CCOc1ccccc1OC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000096489971 218866236 /nfs/dbraw/zinc/86/62/36/218866236.db2.gz WPUZLGAYNHSMKT-UHFFFAOYSA-N 1 1 326.396 3.593 50 30 EHEAMO CC(C)(C)[N@H+](CC#CC[C@](O)(c1ccccc1)C1CCCC1)CCO ZINC000004825387 210288482 /nfs/dbraw/zinc/28/84/82/210288482.db2.gz VZTIQIZAOFOTOF-QFIPXVFZSA-N 1 1 343.511 3.551 50 30 EHEAMO Cc1ccccc1C[C@@]1(CO)CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000015077022 258017378 /nfs/dbraw/zinc/01/73/78/258017378.db2.gz ZHBGICVSPXSFIT-QHCPKHFHSA-N 1 1 333.475 3.664 50 30 EHEAMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)C(C)(C)C)c1 ZINC000057993739 563936276 /nfs/dbraw/zinc/93/62/76/563936276.db2.gz HQOVQQKRRVXHGY-KRWDZBQOSA-N 1 1 329.488 3.917 50 30 EHEAMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000014093416 563983183 /nfs/dbraw/zinc/98/31/83/563983183.db2.gz PSXMFJVVTBEVSE-SFHVURJKSA-N 1 1 339.826 3.987 50 30 EHEAMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000014093416 563983184 /nfs/dbraw/zinc/98/31/84/563983184.db2.gz PSXMFJVVTBEVSE-SFHVURJKSA-N 1 1 339.826 3.987 50 30 EHEAMO CC(=O)O[C@H](C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1)c1ccccc1 ZINC000055246640 214295568 /nfs/dbraw/zinc/29/55/68/214295568.db2.gz BHQFAKVIHHCRIZ-FGZHOGPDSA-N 1 1 348.446 3.916 50 30 EHEAMO CC(=O)O[C@H](C#CC[N@H+]1CCCC[C@@H]1c1cccnc1)c1ccccc1 ZINC000055246640 214295570 /nfs/dbraw/zinc/29/55/70/214295570.db2.gz BHQFAKVIHHCRIZ-FGZHOGPDSA-N 1 1 348.446 3.916 50 30 EHEAMO Cc1ccc2c(c1)[nH]cc2-c1c(C#N)c(N)nc2c1C[N@H+](C)C[C@H]2C ZINC000072138765 216026533 /nfs/dbraw/zinc/02/65/33/216026533.db2.gz ASBGZZRLGLRGCR-GFCCVEGCSA-N 1 1 331.423 3.541 50 30 EHEAMO C=C(C)C[N@H+](CC)Cc1cc(Br)c(OC)cc1OC ZINC000023281391 212366677 /nfs/dbraw/zinc/36/66/77/212366677.db2.gz XPXNILFVLIANOF-UHFFFAOYSA-N 1 1 328.250 3.864 50 30 EHEAMO CC(C)(C)[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000078705962 217105391 /nfs/dbraw/zinc/10/53/91/217105391.db2.gz YXEJBCQYXHMEHX-IBGZPJMESA-N 1 1 338.451 3.599 50 30 EHEAMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036103562 518725181 /nfs/dbraw/zinc/72/51/81/518725181.db2.gz CMSQABHNGDRDQI-IBGZPJMESA-N 1 1 339.435 3.745 50 30 EHEAMO CC(=O)O[C@H](C#CC[N@@H+]1CCCC[C@H]1c1cccnc1)c1ccccc1 ZINC000252430629 519757889 /nfs/dbraw/zinc/75/78/89/519757889.db2.gz BHQFAKVIHHCRIZ-FCHUYYIVSA-N 1 1 348.446 3.916 50 30 EHEAMO CC(=O)O[C@H](C#CC[N@H+]1CCCC[C@H]1c1cccnc1)c1ccccc1 ZINC000252430629 519757892 /nfs/dbraw/zinc/75/78/92/519757892.db2.gz BHQFAKVIHHCRIZ-FCHUYYIVSA-N 1 1 348.446 3.916 50 30 EHEAMO CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cccc(C#N)c1 ZINC000071909547 563575139 /nfs/dbraw/zinc/57/51/39/563575139.db2.gz DZFDUMBDMDWAHM-QGZVFWFLSA-N 1 1 337.427 3.575 50 30 EHEAMO C=CC[N@H+](CCC(=O)Nc1cc(C)on1)Cc1ccc(Cl)s1 ZINC000032751342 563724470 /nfs/dbraw/zinc/72/44/70/563724470.db2.gz NEDRCADGKAKGLJ-UHFFFAOYSA-N 1 1 339.848 3.715 50 30 EHEAMO N#Cc1ccccc1N1CCC[N@H+](Cc2nc3ccccc3s2)CC1 ZINC000048375258 564031690 /nfs/dbraw/zinc/03/16/90/564031690.db2.gz GVPXZOFHOHYTIS-UHFFFAOYSA-N 1 1 348.475 3.880 50 30 EHEAMO N#Cc1ccccc1N1CCC[N@@H+](Cc2nc3ccccc3s2)CC1 ZINC000048375258 564031691 /nfs/dbraw/zinc/03/16/91/564031691.db2.gz GVPXZOFHOHYTIS-UHFFFAOYSA-N 1 1 348.475 3.880 50 30 EHEAMO CC[C@@H](CNC(=O)Nc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000031664310 564057930 /nfs/dbraw/zinc/05/79/30/564057930.db2.gz DBBRLQWIDYLMJY-FQEVSTJZSA-N 1 1 348.450 3.517 50 30 EHEAMO Cc1cc([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3OCC#N)C2)[nH]n1 ZINC000076059693 564115121 /nfs/dbraw/zinc/11/51/21/564115121.db2.gz XDCAAMRJNYDLRS-AWEZNQCLSA-N 1 1 344.846 3.654 50 30 EHEAMO Cc1cc([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3OCC#N)C2)n[nH]1 ZINC000076059693 564115122 /nfs/dbraw/zinc/11/51/22/564115122.db2.gz XDCAAMRJNYDLRS-AWEZNQCLSA-N 1 1 344.846 3.654 50 30 EHEAMO Cc1cc([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3OCC#N)C2)n[nH]1 ZINC000076059693 564115123 /nfs/dbraw/zinc/11/51/23/564115123.db2.gz XDCAAMRJNYDLRS-AWEZNQCLSA-N 1 1 344.846 3.654 50 30 EHEAMO N#Cc1cccc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)n1 ZINC000082116256 564135613 /nfs/dbraw/zinc/13/56/13/564135613.db2.gz IQBLQFLEXHTLAB-GOSISDBHSA-N 1 1 343.434 3.582 50 30 EHEAMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1cccs1 ZINC000008533581 564165605 /nfs/dbraw/zinc/16/56/05/564165605.db2.gz DYYOUXRENYIHKT-LLVKDONJSA-N 1 1 333.844 3.732 50 30 EHEAMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1cccs1 ZINC000008533581 564165606 /nfs/dbraw/zinc/16/56/06/564165606.db2.gz DYYOUXRENYIHKT-LLVKDONJSA-N 1 1 333.844 3.732 50 30 EHEAMO CC(C)(C)C[N@H+]1CC[C@H](C2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000072145412 216032634 /nfs/dbraw/zinc/03/26/34/216032634.db2.gz ZWFVSQCYPPMQQW-KRWDZBQOSA-N 1 1 326.488 3.538 50 30 EHEAMO CC(C)(C)C[N@H+]1CC[C@@H](C2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000072145413 216032993 /nfs/dbraw/zinc/03/29/93/216032993.db2.gz ZWFVSQCYPPMQQW-QGZVFWFLSA-N 1 1 326.488 3.538 50 30 EHEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccccc3Cl)CC2)cc1 ZINC000019833132 212073007 /nfs/dbraw/zinc/07/30/07/212073007.db2.gz URRRVATYNFBLTP-KGENOOAVSA-N 1 1 327.859 3.800 50 30 EHEAMO C=CCn1cc(C[NH2+][C@H](c2ccncc2)c2ccc(C)cc2)c(C)n1 ZINC000055060938 258014811 /nfs/dbraw/zinc/01/48/11/258014811.db2.gz DVQBZZOCWFLEKU-NRFANRHFSA-N 1 1 332.451 3.960 50 30 EHEAMO C=CCOC[C@@H](O)C[N@H+](Cc1ccc(C)cc1)Cc1ccc(F)cc1 ZINC000036101993 518989132 /nfs/dbraw/zinc/98/91/32/518989132.db2.gz GOEXZPJMYXGZBQ-NRFANRHFSA-N 1 1 343.442 3.700 50 30 EHEAMO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000007266519 519032978 /nfs/dbraw/zinc/03/29/78/519032978.db2.gz JWBZKHOQCHDDCL-INIZCTEOSA-N 1 1 349.434 3.582 50 30 EHEAMO C=CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000007266519 519032981 /nfs/dbraw/zinc/03/29/81/519032981.db2.gz JWBZKHOQCHDDCL-INIZCTEOSA-N 1 1 349.434 3.582 50 30 EHEAMO CSc1ccc(/C=N\N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000016292368 525951408 /nfs/dbraw/zinc/95/14/08/525951408.db2.gz GKOGCXRQNVCIPC-QNGOZBTKSA-N 1 1 339.508 3.869 50 30 EHEAMO C[C@H]1C[C@H](N(C)C(=O)c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000071915335 563618992 /nfs/dbraw/zinc/61/89/92/563618992.db2.gz WGEKBLDPUWJVIB-LAUBAEHRSA-N 1 1 347.462 3.683 50 30 EHEAMO CCC(CC)(CCC#N)C[NH2+]CC1(N2CCN(C)CC2)CCCCC1 ZINC000032577654 563914013 /nfs/dbraw/zinc/91/40/13/563914013.db2.gz BGIBMCXSIFZQQW-UHFFFAOYSA-N 1 1 348.579 3.636 50 30 EHEAMO C[C@@H](CCN(C)Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000084637217 564069254 /nfs/dbraw/zinc/06/92/54/564069254.db2.gz AWXFROAKMFJZPY-SFHVURJKSA-N 1 1 346.478 3.772 50 30 EHEAMO C[C@@H](CC[N@H+](C)Cc1ccc(C#N)cc1)N(C)Cc1ccc(C#N)cc1 ZINC000084637217 564069255 /nfs/dbraw/zinc/06/92/55/564069255.db2.gz AWXFROAKMFJZPY-SFHVURJKSA-N 1 1 346.478 3.772 50 30 EHEAMO C[C@@H](CC[N@@H+](C)Cc1ccc(C#N)cc1)N(C)Cc1ccc(C#N)cc1 ZINC000084637217 564069256 /nfs/dbraw/zinc/06/92/56/564069256.db2.gz AWXFROAKMFJZPY-SFHVURJKSA-N 1 1 346.478 3.772 50 30 EHEAMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1cccs1 ZINC000008533580 564165633 /nfs/dbraw/zinc/16/56/33/564165633.db2.gz DYYOUXRENYIHKT-NSHDSACASA-N 1 1 333.844 3.732 50 30 EHEAMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1cccs1 ZINC000008533580 564165634 /nfs/dbraw/zinc/16/56/34/564165634.db2.gz DYYOUXRENYIHKT-NSHDSACASA-N 1 1 333.844 3.732 50 30 EHEAMO Cc1cnc(-c2ccccc2)n1C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000581807262 1132370271 /nfs/dbraw/zinc/37/02/71/1132370271.db2.gz BAUWZCQLRRRQGT-UHFFFAOYSA-N 1 1 328.419 3.787 50 30 EHEAMO CC(=O)O[C@@H](C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1)c1ccccc1 ZINC000055246638 214294873 /nfs/dbraw/zinc/29/48/73/214294873.db2.gz BHQFAKVIHHCRIZ-YADHBBJMSA-N 1 1 348.446 3.916 50 30 EHEAMO CC(=O)O[C@@H](C#CC[N@H+]1CCCC[C@@H]1c1cccnc1)c1ccccc1 ZINC000055246638 214294876 /nfs/dbraw/zinc/29/48/76/214294876.db2.gz BHQFAKVIHHCRIZ-YADHBBJMSA-N 1 1 348.446 3.916 50 30 EHEAMO Cc1cccc(NC(=S)NC[C@H](c2cccnc2)[NH+](C)C)c1C ZINC000020234882 212113896 /nfs/dbraw/zinc/11/38/96/212113896.db2.gz ZUBXPOQZZQKIPO-QGZVFWFLSA-N 1 1 328.485 3.699 50 30 EHEAMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](c2nccn2CC2CCC2)C1 ZINC000095385205 218316589 /nfs/dbraw/zinc/31/65/89/218316589.db2.gz LQGIAQIHJDVJQA-HXUWFJFHSA-N 1 1 334.467 3.934 50 30 EHEAMO Cc1ccc(SCC(=O)ONC(=[NH2+])c2ccc(Cl)cc2)cc1 ZINC000005047616 210374866 /nfs/dbraw/zinc/37/48/66/210374866.db2.gz VAQMLPFCFMXJJQ-UHFFFAOYSA-N 1 1 334.828 3.604 50 30 EHEAMO C=CCC[C@H](C[N@H+](C)Cc1cccnc1)Oc1cccc(Cl)n1 ZINC000067725521 258010967 /nfs/dbraw/zinc/01/09/67/258010967.db2.gz HCOUDWQBVCCHFK-MRXNPFEDSA-N 1 1 331.847 3.976 50 30 EHEAMO C#Cc1cccc(N(C(=O)c2cnn(-c3cc[nH+]cc3)c2C)C(C)C)c1 ZINC000090553874 564084725 /nfs/dbraw/zinc/08/47/25/564084725.db2.gz LIBRALUAVHAOMS-UHFFFAOYSA-N 1 1 344.418 3.612 50 30 EHEAMO N#Cc1c2c(sc1NC(=O)C[N@H+]1CCC[C@H]3CCCC[C@@H]31)CCC2 ZINC000007587381 564117980 /nfs/dbraw/zinc/11/79/80/564117980.db2.gz BGQSRJFKDINVFF-CJNGLKHVSA-N 1 1 343.496 3.702 50 30 EHEAMO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)[nH]1 ZINC000329432453 1039671933 /nfs/dbraw/zinc/67/19/33/1039671933.db2.gz KPBBQIVUOKHPGT-WBVHZDCISA-N 1 1 348.397 3.525 50 30 EHEAMO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)[nH]1 ZINC000329432453 1039671939 /nfs/dbraw/zinc/67/19/39/1039671939.db2.gz KPBBQIVUOKHPGT-WBVHZDCISA-N 1 1 348.397 3.525 50 30 EHEAMO C[C@](O)(C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1)CCc1ccccc1 ZINC000055236057 214292880 /nfs/dbraw/zinc/29/28/80/214292880.db2.gz ZWXAFZKAAAQSKI-PKTZIBPZSA-N 1 1 348.490 3.996 50 30 biogenic EHEAMO C[C@](O)(C#CC[N@H+]1CCCC[C@@H]1c1cccnc1)CCc1ccccc1 ZINC000055236057 214292883 /nfs/dbraw/zinc/29/28/83/214292883.db2.gz ZWXAFZKAAAQSKI-PKTZIBPZSA-N 1 1 348.490 3.996 50 30 biogenic EHEAMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000095397344 218329895 /nfs/dbraw/zinc/32/98/95/218329895.db2.gz WENHNRSCUJUSBQ-HNNXBMFYSA-N 1 1 331.485 3.917 50 30 EHEAMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000095397344 218329897 /nfs/dbraw/zinc/32/98/97/218329897.db2.gz WENHNRSCUJUSBQ-HNNXBMFYSA-N 1 1 331.485 3.917 50 30 EHEAMO CC(=[NH+]Nc1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000013136503 563690558 /nfs/dbraw/zinc/69/05/58/563690558.db2.gz OSAGDUJMZXSTBL-FYJGNVAPSA-N 1 1 331.366 3.638 50 30 EHEAMO Cc1ccc(-c2csc(N=NC3NC(=[NH2+])c4ccccc43)n2)cc1 ZINC000013554511 563701407 /nfs/dbraw/zinc/70/14/07/563701407.db2.gz JXFVNONJTNKOPJ-UHFFFAOYSA-N 1 1 333.420 3.611 50 30 EHEAMO CN(C)C1=[NH+]/C(=N\c2ccc(Br)cc2)c2ccccc21 ZINC000015401605 564062016 /nfs/dbraw/zinc/06/20/16/564062016.db2.gz MEMAZYHJZMLVMU-SDXDJHTJSA-N 1 1 328.213 3.849 50 30 EHEAMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000007267345 564106128 /nfs/dbraw/zinc/10/61/28/564106128.db2.gz MOWTZSXNCYRUDJ-ZDUSSCGKSA-N 1 1 327.815 3.671 50 30 EHEAMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000007267345 564106129 /nfs/dbraw/zinc/10/61/29/564106129.db2.gz MOWTZSXNCYRUDJ-ZDUSSCGKSA-N 1 1 327.815 3.671 50 30 EHEAMO N#Cc1c2c(sc1NC(=O)C[N@H+]1CCC[C@H]3CCCC[C@H]31)CCC2 ZINC000007587377 564117965 /nfs/dbraw/zinc/11/79/65/564117965.db2.gz BGQSRJFKDINVFF-CZUORRHYSA-N 1 1 343.496 3.702 50 30 EHEAMO C[C@@H](Nc1ccccc1NC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000328589848 564136653 /nfs/dbraw/zinc/13/66/53/564136653.db2.gz KKYZKRXOSJGTCV-BEFAXECRSA-N 1 1 339.439 3.778 50 30 EHEAMO C[C@@H](Nc1ccccc1NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000328589848 564136654 /nfs/dbraw/zinc/13/66/54/564136654.db2.gz KKYZKRXOSJGTCV-BEFAXECRSA-N 1 1 339.439 3.778 50 30 EHEAMO C[C@@H](C(=O)Nc1ccc(C#N)cc1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000008312993 564164205 /nfs/dbraw/zinc/16/42/05/564164205.db2.gz VNXNZGRUWSVJBS-INIZCTEOSA-N 1 1 331.419 3.675 50 30 EHEAMO C[C@@H](C(=O)Nc1ccc(C#N)cc1)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000008312993 564164206 /nfs/dbraw/zinc/16/42/06/564164206.db2.gz VNXNZGRUWSVJBS-INIZCTEOSA-N 1 1 331.419 3.675 50 30 EHEAMO CC(=[NH+]NC(=S)NC(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000254365208 1039331893 /nfs/dbraw/zinc/33/18/93/1039331893.db2.gz VBGBGMKARRWMQT-UHFFFAOYSA-N 1 1 332.517 3.664 50 30 EHEAMO Cc1cnc(C2CC2)n1C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000581806911 1132370235 /nfs/dbraw/zinc/37/02/35/1132370235.db2.gz CZLJKLLFWZGENK-LJQANCHMSA-N 1 1 334.467 3.853 50 30 EHEAMO Cc1[nH+]ccn1-c1c(CCC#N)c(C)c(C#N)c2nc3ccccc3n21 ZINC000004115348 210123971 /nfs/dbraw/zinc/12/39/71/210123971.db2.gz JYVLNKPFZHBYMH-UHFFFAOYSA-N 1 1 340.390 3.618 50 30 EHEAMO CC(C)C(=O)Nc1sc2c(c1C#N)CC[N@@H+](Cc1ccccc1)C2 ZINC000020468329 212134216 /nfs/dbraw/zinc/13/42/16/212134216.db2.gz UHIVUDNMAWNPPL-UHFFFAOYSA-N 1 1 339.464 3.773 50 30 EHEAMO CC(C)C(=O)Nc1sc2c(c1C#N)CC[N@H+](Cc1ccccc1)C2 ZINC000020468329 212134218 /nfs/dbraw/zinc/13/42/18/212134218.db2.gz UHIVUDNMAWNPPL-UHFFFAOYSA-N 1 1 339.464 3.773 50 30 EHEAMO N#Cc1ccc(C[N@H+]2CCCN(c3nc4ccccc4s3)CC2)cc1 ZINC000009336305 211068803 /nfs/dbraw/zinc/06/88/03/211068803.db2.gz IBDOBWJYRQBSPY-UHFFFAOYSA-N 1 1 348.475 3.880 50 30 EHEAMO C=CC[N@H+](CC#Cc1ccccc1)Cc1cccn1-c1nccs1 ZINC000055245208 518744348 /nfs/dbraw/zinc/74/43/48/518744348.db2.gz LFNDWRMJJLSLMY-UHFFFAOYSA-N 1 1 333.460 3.974 50 30 EHEAMO C=CC[N@@H+](CC#Cc1ccccc1)Cc1cccn1-c1nccs1 ZINC000055245208 518744353 /nfs/dbraw/zinc/74/43/53/518744353.db2.gz LFNDWRMJJLSLMY-UHFFFAOYSA-N 1 1 333.460 3.974 50 30 EHEAMO C=CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000007266520 519032991 /nfs/dbraw/zinc/03/29/91/519032991.db2.gz JWBZKHOQCHDDCL-MRXNPFEDSA-N 1 1 349.434 3.582 50 30 EHEAMO C=CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000007266520 519032995 /nfs/dbraw/zinc/03/29/95/519032995.db2.gz JWBZKHOQCHDDCL-MRXNPFEDSA-N 1 1 349.434 3.582 50 30 EHEAMO C=CCn1cc(C[NH+]2CCC(c3nc4cccc(C)c4[nH]3)CC2)c(C)n1 ZINC000055169086 519277866 /nfs/dbraw/zinc/27/78/66/519277866.db2.gz SCSIPEQMHJVAOF-UHFFFAOYSA-N 1 1 349.482 3.942 50 30 EHEAMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(C)CC1 ZINC000014242318 563983684 /nfs/dbraw/zinc/98/36/84/563983684.db2.gz HGKRGOYZFLOQSV-CQSZACIVSA-N 1 1 345.512 3.948 50 30 EHEAMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000025444137 564054392 /nfs/dbraw/zinc/05/43/92/564054392.db2.gz BMNQECUBNMKLFB-MRXNPFEDSA-N 1 1 343.427 3.925 50 30 EHEAMO CSc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000328587032 564136539 /nfs/dbraw/zinc/13/65/39/564136539.db2.gz CCNIPBGGMPDWBG-NUEKZKHPSA-N 1 1 333.501 3.600 50 30 EHEAMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@@H]3c3cccs3)C2=O)cc1 ZINC000028746844 564152369 /nfs/dbraw/zinc/15/23/69/564152369.db2.gz SHGVJRQRDAJCIR-IAGOWNOFSA-N 1 1 337.448 3.562 50 30 EHEAMO N#Cc1cccc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000054531207 214243244 /nfs/dbraw/zinc/24/32/44/214243244.db2.gz QUKOPGQSCDIUFN-UHFFFAOYSA-N 1 1 341.414 3.876 50 30 EHEAMO N#Cc1ccccc1CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000092028038 218105915 /nfs/dbraw/zinc/10/59/15/218105915.db2.gz GQVDGYSUDZWFSU-SIKLNZKXSA-N 1 1 331.463 3.655 50 30 EHEAMO Cc1ccc(C(=O)ONC(=[NH2+])c2cccc(Br)c2)c(C)c1 ZINC000008575247 262520766 /nfs/dbraw/zinc/52/07/66/262520766.db2.gz TYFLYZSBRQIOQQ-UHFFFAOYSA-N 1 1 347.212 3.543 50 30 EHEAMO C=CCc1cc(OC)cc(C[N@@H+](C)CCOc2ccccc2)c1O ZINC000089346399 564089775 /nfs/dbraw/zinc/08/97/75/564089775.db2.gz DBWGQQFYCVJROL-UHFFFAOYSA-N 1 1 327.424 3.640 50 30 EHEAMO C=CCC[C@H](O)C[N@H+](CCC(C)C)Cc1ccc(OC)c(OC)c1 ZINC000036096147 564095901 /nfs/dbraw/zinc/09/59/01/564095901.db2.gz QISRDRVCEGWUBK-SFHVURJKSA-N 1 1 335.488 3.879 50 30 EHEAMO N#Cc1ccc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)nc1 ZINC000082107220 564135557 /nfs/dbraw/zinc/13/55/57/564135557.db2.gz LQBHSSWKXMAKRC-LJQANCHMSA-N 1 1 343.434 3.582 50 30 EHEAMO Cc1c(Cl)cccc1N1CCC[N@H+](C[C@H](C#N)CCC#N)CC1 ZINC000284695542 564149179 /nfs/dbraw/zinc/14/91/79/564149179.db2.gz IDMAAKWBFUYXPX-INIZCTEOSA-N 1 1 330.863 3.604 50 30 EHEAMO Cc1c(Cl)cccc1N1CCC[N@@H+](C[C@H](C#N)CCC#N)CC1 ZINC000284695542 564149180 /nfs/dbraw/zinc/14/91/80/564149180.db2.gz IDMAAKWBFUYXPX-INIZCTEOSA-N 1 1 330.863 3.604 50 30 EHEAMO N#Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000058218618 564158106 /nfs/dbraw/zinc/15/81/06/564158106.db2.gz OTOAXZYVULXJQQ-LJQANCHMSA-N 1 1 348.450 3.592 50 30 EHEAMO CCn1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1C#N ZINC000670468621 564163149 /nfs/dbraw/zinc/16/31/49/564163149.db2.gz VPYODLLHBHRFKE-INIZCTEOSA-N 1 1 334.423 3.900 50 30 EHEAMO C=CCc1cc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)cc(OCC)c1OC ZINC000823358244 1131058163 /nfs/dbraw/zinc/05/81/63/1131058163.db2.gz QJGFORGPBXZAPS-GOSISDBHSA-N 1 1 347.499 3.805 50 30 EHEAMO COc1cccc([C@@H]2CCCC[N@H+]2Cc2cc(C#CCO)cs2)c1 ZINC000828644643 1131443012 /nfs/dbraw/zinc/44/30/12/1131443012.db2.gz QLSWBGZVWJUJEX-FQEVSTJZSA-N 1 1 341.476 3.828 50 30 EHEAMO Cc1cnc(C2CC2)n1C[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000581806910 1132369528 /nfs/dbraw/zinc/36/95/28/1132369528.db2.gz CZLJKLLFWZGENK-IBGZPJMESA-N 1 1 334.467 3.853 50 30 EHEAMO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCC1 ZINC000053814252 214200398 /nfs/dbraw/zinc/20/03/98/214200398.db2.gz FGGXUOZEYXGQID-UHFFFAOYSA-N 1 1 331.485 3.702 50 30 EHEAMO CCc1nn(C)c(Cl)c1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC000215397645 241123589 /nfs/dbraw/zinc/12/35/89/241123589.db2.gz YCKWJLHBVNFGNC-UHFFFAOYSA-N 1 1 342.874 3.693 50 30 EHEAMO C[N@H+]1CCc2nc(SCc3ccc(Cl)cc3)c(C#N)cc2C1 ZINC000019907518 212082008 /nfs/dbraw/zinc/08/20/08/212082008.db2.gz ASOUWCBSWMBHIA-UHFFFAOYSA-N 1 1 329.856 3.887 50 30 EHEAMO CC(C)c1cc(C[NH+]2CCN(CCC#N)CC2)cc(C(C)C)c1O ZINC000019857253 212076850 /nfs/dbraw/zinc/07/68/50/212076850.db2.gz XAEJKIJGRZXFGO-UHFFFAOYSA-N 1 1 329.488 3.670 50 30 EHEAMO C=CCCC(=O)N1CCC([C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000014956464 211776620 /nfs/dbraw/zinc/77/66/20/211776620.db2.gz LOXOTHZIHSYCEX-NRFANRHFSA-N 1 1 340.511 3.756 50 30 EHEAMO C=CCCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000011955729 211274136 /nfs/dbraw/zinc/27/41/36/211274136.db2.gz NAPAPUHAFVBXTF-FQEVSTJZSA-N 1 1 348.437 3.746 50 30 EHEAMO C=CCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000011955729 211274139 /nfs/dbraw/zinc/27/41/39/211274139.db2.gz NAPAPUHAFVBXTF-FQEVSTJZSA-N 1 1 348.437 3.746 50 30 EHEAMO C=C(C)C[N@H+]1CCC=C(CN(C(=O)c2ccc(F)cc2)C2CC2)C1 ZINC000067641782 258010960 /nfs/dbraw/zinc/01/09/60/258010960.db2.gz UMLBJMXTCWNBFI-UHFFFAOYSA-N 1 1 328.431 3.639 50 30 EHEAMO C=CCOc1ccc(C[N@@H+](C)CC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000008037728 258018024 /nfs/dbraw/zinc/01/80/24/258018024.db2.gz WBSFJZQAUNDOCN-QGZVFWFLSA-N 1 1 338.451 3.561 50 30 EHEAMO C=CCOc1ccc(C[N@H+](C)CC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000008037728 258018026 /nfs/dbraw/zinc/01/80/26/258018026.db2.gz WBSFJZQAUNDOCN-QGZVFWFLSA-N 1 1 338.451 3.561 50 30 EHEAMO CC(=O)c1ccccc1C=CC=NN1CC[NH+](Cc2ccccc2)CC1 ZINC000025559300 518463308 /nfs/dbraw/zinc/46/33/08/518463308.db2.gz XBKHMDSDRSQHTF-QVQOGBIZSA-N 1 1 347.462 3.706 50 30 EHEAMO Cc1ccc(C)c(C(=O)ONC(=[NH2+])c2ccc(Br)cc2)c1 ZINC000018172998 524088270 /nfs/dbraw/zinc/08/82/70/524088270.db2.gz KDFDQQZTQJHHPU-UHFFFAOYSA-N 1 1 347.212 3.543 50 30 EHEAMO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCC(=O)N1Cc1ccccc1 ZINC000071754696 563982969 /nfs/dbraw/zinc/98/29/69/563982969.db2.gz KSIRJWWMLUZTCQ-NRFANRHFSA-N 1 1 347.462 3.571 50 30 EHEAMO C=CCSc1nnc([C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1C ZINC000015005042 564074206 /nfs/dbraw/zinc/07/42/06/564074206.db2.gz ZVYLNKAPQOKQFU-CYBMUJFWSA-N 1 1 334.514 3.534 50 30 EHEAMO [NH2+]=C(NOC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000004992234 1042728823 /nfs/dbraw/zinc/72/88/23/1042728823.db2.gz FKBBSNHSJGSQGO-UHFFFAOYSA-N 1 1 330.387 3.682 50 30 EHEAMO Cc1c(C[N@H+]2CCC[C@@H](COc3cccc(F)c3)C2)cc(C#N)n1C ZINC000072164269 216052839 /nfs/dbraw/zinc/05/28/39/216052839.db2.gz MPKSUTCKIGQKFP-MRXNPFEDSA-N 1 1 341.430 3.635 50 30 EHEAMO Cc1ccc(C#N)c(N2CCC[C@@H](c3[nH+]ccn3CC3CCC3)C2)n1 ZINC000095357507 218290042 /nfs/dbraw/zinc/29/00/42/218290042.db2.gz FYCBFOCNGJCMPW-GOSISDBHSA-N 1 1 335.455 3.642 50 30 EHEAMO C=CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000011842027 518696699 /nfs/dbraw/zinc/69/66/99/518696699.db2.gz UTTWHWLSYGDXBH-HXUWFJFHSA-N 1 1 328.500 3.932 50 30 EHEAMO Cc1cccc(C(=[NH2+])NOC(=O)COc2cc(C)c(Cl)c(C)c2)c1 ZINC000004192180 524151087 /nfs/dbraw/zinc/15/10/87/524151087.db2.gz SSIUEYFCPQGJOA-UHFFFAOYSA-N 1 1 346.814 3.508 50 30 EHEAMO Cc1cc(N[C@@H](C)C(=O)Nc2ccccc2C#N)ccc1[NH+]1CCCC1 ZINC000032853722 563762267 /nfs/dbraw/zinc/76/22/67/563762267.db2.gz CCKZPTCPAYJZQC-INIZCTEOSA-N 1 1 348.450 3.906 50 30 EHEAMO [NH2+]=C(NN=Cc1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000252630313 564123576 /nfs/dbraw/zinc/12/35/76/564123576.db2.gz UZFDTIZJGPJZTI-UHFFFAOYSA-N 1 1 326.400 3.712 50 30 EHEAMO N#Cc1ccccc1-c1cccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC000426358260 564134987 /nfs/dbraw/zinc/13/49/87/564134987.db2.gz HFCONROPWZKEQQ-FQEVSTJZSA-N 1 1 345.446 3.536 50 30 EHEAMO COc1cc2c(cc1OC)[C@@H]1CC[C@@]3(C)/C(=N/O)CCC[C@H]3[N@H+]1CC2 ZINC000096028105 564145040 /nfs/dbraw/zinc/14/50/40/564145040.db2.gz NBJFREIVHGTJGX-WGOOSOTESA-N 1 1 344.455 3.786 50 30 EHEAMO Cc1cnc(-c2ccccc2)n1C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000575551886 1131573114 /nfs/dbraw/zinc/57/31/14/1131573114.db2.gz YQHCTMMLYKUEKJ-UHFFFAOYSA-N 1 1 328.419 3.787 50 30 EHEAMO Cn1ccnc1COc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000054174585 214222556 /nfs/dbraw/zinc/22/25/56/214222556.db2.gz BLYHGKQZVPIPCY-UHFFFAOYSA-N 1 1 346.434 3.503 50 30 EHEAMO C=CCOc1ccccc1C[N@H+](C)CCc1ccc(OC)c(OC)c1 ZINC000002893794 258046974 /nfs/dbraw/zinc/04/69/74/258046974.db2.gz XGCCSGNYVRLRHE-UHFFFAOYSA-N 1 1 341.451 3.943 50 30 EHEAMO C=CCn1cc(C[N@H+](Cc2cccc(C)c2)C[C@@H]2CCCO2)c(C)n1 ZINC000055100140 519277637 /nfs/dbraw/zinc/27/76/37/519277637.db2.gz LOVBLHMHRGJHHX-NRFANRHFSA-N 1 1 339.483 3.867 50 30 EHEAMO Cc1cc(C(O)=CONC(=[NH2+])c2ccc(Cl)cc2)c(C)n1C1CC1 ZINC000022183590 526209688 /nfs/dbraw/zinc/20/96/88/526209688.db2.gz LIUNTFYFBPNAQC-UHFFFAOYSA-N 1 1 345.830 3.613 50 30 EHEAMO [NH2+]=C(NOC(=O)CC1CCCCC1)c1ccc(Br)cc1 ZINC000004977838 526806025 /nfs/dbraw/zinc/80/60/25/526806025.db2.gz VVKLCIOOTOFDSV-UHFFFAOYSA-N 1 1 339.233 3.583 50 30 EHEAMO CC(C)c1ccc(OCC(=O)ONC(=[NH2+])c2ccc(Cl)cc2)cc1 ZINC000008573258 563633025 /nfs/dbraw/zinc/63/30/25/563633025.db2.gz WHSXDTBDLUIPJI-UHFFFAOYSA-N 1 1 346.814 3.706 50 30 EHEAMO CC[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccc2c(c1)OCO2 ZINC000032825248 563756353 /nfs/dbraw/zinc/75/63/53/563756353.db2.gz XHAYLODXNGLWHV-UHFFFAOYSA-N 1 1 333.391 3.562 50 30 EHEAMO CC[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccc2c(c1)OCO2 ZINC000032825248 563756355 /nfs/dbraw/zinc/75/63/55/563756355.db2.gz XHAYLODXNGLWHV-UHFFFAOYSA-N 1 1 333.391 3.562 50 30 EHEAMO C[N@H+]1CC[C@H](Cn2ccnc2-c2ccc(-c3ccccc3C#N)o2)C1 ZINC000071746847 563982921 /nfs/dbraw/zinc/98/29/21/563982921.db2.gz BLTSVJZFAAGYFL-HNNXBMFYSA-N 1 1 332.407 3.633 50 30 EHEAMO C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc(O)c2)[C@@H]1c1ccccc1 ZINC000328588896 563984165 /nfs/dbraw/zinc/98/41/65/563984165.db2.gz RXNVHIXYGHRWJL-FYQPLNBISA-N 1 1 336.435 3.898 50 30 EHEAMO CN(C[C@@]1(C)CC[N@@H+](C)C1)C(=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000426551340 564135074 /nfs/dbraw/zinc/13/50/74/564135074.db2.gz QFNIHAIBKVRHCX-QFIPXVFZSA-N 1 1 347.462 3.639 50 30 EHEAMO COc1ncc(Br)cc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000595413967 1025369177 /nfs/dbraw/zinc/36/91/77/1025369177.db2.gz DMEYVICNZZOTAB-NSHDSACASA-N 1 1 346.228 3.575 50 30 EHEAMO Cc1c(C[N@H+]2CCC[C@@H](C(=O)CCc3ccccc3)C2)cc(C#N)n1C ZINC000072411281 216204080 /nfs/dbraw/zinc/20/40/80/216204080.db2.gz GPJDQJZMVWJHTL-LJQANCHMSA-N 1 1 349.478 3.619 50 30 EHEAMO CCO/C=N/c1sc2c(c1C#N)CC[N@@H+](Cc1ccccc1)C2 ZINC000020100132 212100177 /nfs/dbraw/zinc/10/01/77/212100177.db2.gz HDIADSVKPSPUEW-DEDYPNTBSA-N 1 1 325.437 3.874 50 30 EHEAMO CCO/C=N/c1sc2c(c1C#N)CC[N@H+](Cc1ccccc1)C2 ZINC000020100132 212100180 /nfs/dbraw/zinc/10/01/80/212100180.db2.gz HDIADSVKPSPUEW-DEDYPNTBSA-N 1 1 325.437 3.874 50 30 EHEAMO CSc1ccc(/C=N/N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000033314838 563915737 /nfs/dbraw/zinc/91/57/37/563915737.db2.gz GKOGCXRQNVCIPC-RCCKNPSSSA-N 1 1 339.508 3.869 50 30 EHEAMO CC(C)[C@@](C)(C#N)NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000060383104 563954682 /nfs/dbraw/zinc/95/46/82/563954682.db2.gz JNAZDWCIBNIDMP-JOCHJYFZSA-N 1 1 349.478 3.743 50 30 EHEAMO C#Cc1cccc(NC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000106915118 564026732 /nfs/dbraw/zinc/02/67/32/564026732.db2.gz DCJZHOIVFNELDT-YJBOKZPZSA-N 1 1 339.464 3.544 50 30 EHEAMO N#Cc1c2c(sc1NC(=O)C[N@H+]1CCC[C@@H]3CCCC[C@H]31)CCC2 ZINC000007587369 564117968 /nfs/dbraw/zinc/11/79/68/564117968.db2.gz BGQSRJFKDINVFF-XJKSGUPXSA-N 1 1 343.496 3.702 50 30 EHEAMO N#Cc1c2c(sc1NC(=O)C[N@@H+]1CC[C@@H]3CCCC[C@@H]3C1)CCC2 ZINC000008132902 564163082 /nfs/dbraw/zinc/16/30/82/564163082.db2.gz PONCICRLDOWJID-UONOGXRCSA-N 1 1 343.496 3.559 50 30 EHEAMO N#Cc1c2c(sc1NC(=O)C[N@H+]1CC[C@@H]3CCCC[C@@H]3C1)CCC2 ZINC000008132902 564163083 /nfs/dbraw/zinc/16/30/83/564163083.db2.gz PONCICRLDOWJID-UONOGXRCSA-N 1 1 343.496 3.559 50 30 EHEAMO CC(C)(O)C#Cc1ccc(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)s1 ZINC000826585065 1131327638 /nfs/dbraw/zinc/32/76/38/1131327638.db2.gz QKAVMPWXMUKIFW-GOSISDBHSA-N 1 1 329.440 3.957 50 30 EHEAMO CC(C)(O)C#Cc1ccc(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)s1 ZINC000826585065 1131327644 /nfs/dbraw/zinc/32/76/44/1131327644.db2.gz QKAVMPWXMUKIFW-GOSISDBHSA-N 1 1 329.440 3.957 50 30 EHEAMO C=C(C)COc1c(C[NH2+][C@@H](c2nccn2C)C(C)C)cccc1OC ZINC000055324880 214306688 /nfs/dbraw/zinc/30/66/88/214306688.db2.gz UYYOHXPWYJYZBN-GOSISDBHSA-N 1 1 343.471 3.871 50 30 EHEAMO C=CCC(=O)N(CC)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012004881 258018104 /nfs/dbraw/zinc/01/81/04/258018104.db2.gz SCJUNDRPSQVAHP-GOSISDBHSA-N 1 1 332.463 3.505 50 30 EHEAMO Cc1nc(C2CC[NH+](Cc3ccc(-c4ccccc4C#N)o3)CC2)n[nH]1 ZINC000216020686 258072323 /nfs/dbraw/zinc/07/23/23/258072323.db2.gz CTZZVDHULVXCJT-UHFFFAOYSA-N 1 1 347.422 3.624 50 30 EHEAMO Cc1nnc(C2CC[NH+](Cc3ccc(-c4ccccc4C#N)o3)CC2)[nH]1 ZINC000216020686 258072324 /nfs/dbraw/zinc/07/23/24/258072324.db2.gz CTZZVDHULVXCJT-UHFFFAOYSA-N 1 1 347.422 3.624 50 30 EHEAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000022333961 563966635 /nfs/dbraw/zinc/96/66/35/563966635.db2.gz LGHACQGXJJMMAX-KRWDZBQOSA-N 1 1 348.450 3.663 50 30 EHEAMO C=CCCc1ccccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000328589397 564136667 /nfs/dbraw/zinc/13/66/67/564136667.db2.gz IJLOWKLSGULGLK-HKUYNNGSSA-N 1 1 327.472 3.767 50 30 EHEAMO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCc2ccccc21 ZINC000029484442 564153546 /nfs/dbraw/zinc/15/35/46/564153546.db2.gz AIZZTOTYMVQDLJ-SFHVURJKSA-N 1 1 339.826 3.769 50 30 EHEAMO C=CCOc1ccccc1C[N@@H+](CC)Cc1cccn1-c1ncccn1 ZINC000055182884 519067138 /nfs/dbraw/zinc/06/71/38/519067138.db2.gz RDGYKNQERBSLGI-UHFFFAOYSA-N 1 1 348.450 3.854 50 30 EHEAMO C=CCn1cc(C[N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)c(C)n1 ZINC000055154207 519275370 /nfs/dbraw/zinc/27/53/70/519275370.db2.gz QGZXLBADIZVQFG-UHFFFAOYSA-N 1 1 339.418 3.539 50 30 EHEAMO C=CCn1cc(C[N@@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)c(C)n1 ZINC000055154207 519275377 /nfs/dbraw/zinc/27/53/77/519275377.db2.gz QGZXLBADIZVQFG-UHFFFAOYSA-N 1 1 339.418 3.539 50 30 EHEAMO C=CCn1cc(C[N@@H+](Cc2ccsc2)C[C@H]2CCCO2)c(C)n1 ZINC000055369310 519277408 /nfs/dbraw/zinc/27/74/08/519277408.db2.gz TYPOKIALVNVDKA-GOSISDBHSA-N 1 1 331.485 3.620 50 30 EHEAMO C=CCn1cc(C[N@H+](Cc2ccsc2)C[C@H]2CCCO2)c(C)n1 ZINC000055369310 519277416 /nfs/dbraw/zinc/27/74/16/519277416.db2.gz TYPOKIALVNVDKA-GOSISDBHSA-N 1 1 331.485 3.620 50 30 EHEAMO CCC1([C@@](O)(C#CC[N@@H+](CCO)C(C)C)c2ccccc2)CCCC1 ZINC000002277870 564125625 /nfs/dbraw/zinc/12/56/25/564125625.db2.gz JHQBOABRDQGZJU-JOCHJYFZSA-N 1 1 343.511 3.551 50 30 EHEAMO Cc1[nH+]ccn1CCCNc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000253415539 564130734 /nfs/dbraw/zinc/13/07/34/564130734.db2.gz USROIQGKHOJJJH-UHFFFAOYSA-N 1 1 345.328 3.531 50 30 EHEAMO CC(C)[C@H]1C=CC[N@H+]1Cc1ccc(C(=O)Nc2ccc(C#N)cn2)cc1 ZINC000065496730 564134342 /nfs/dbraw/zinc/13/43/42/564134342.db2.gz GJJWOQCNJFYBIQ-LJQANCHMSA-N 1 1 346.434 3.602 50 30 EHEAMO CN(C[C@H]1CCCC[N@H+]1C)C(=O)c1cccc(-c2ccccc2C#N)c1 ZINC000426545277 564135080 /nfs/dbraw/zinc/13/50/80/564135080.db2.gz ZZAPZPFUQMSLRL-HXUWFJFHSA-N 1 1 347.462 3.782 50 30 EHEAMO C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000008312994 564164196 /nfs/dbraw/zinc/16/41/96/564164196.db2.gz VNXNZGRUWSVJBS-MRXNPFEDSA-N 1 1 331.419 3.675 50 30 EHEAMO C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000008312994 564164197 /nfs/dbraw/zinc/16/41/97/564164197.db2.gz VNXNZGRUWSVJBS-MRXNPFEDSA-N 1 1 331.419 3.675 50 30 EHEAMO CC[C@@]1(C)C[C@@]2(CCC[N@H+](CC#CCN3CCCCC3)C2)CCO1 ZINC000004024941 210102279 /nfs/dbraw/zinc/10/22/79/210102279.db2.gz QMQBUMXFHNIBGU-LEWJYISDSA-N 1 1 332.532 3.537 50 30 biogenic EHEAMO CC[C@@]1(C)C[C@@]2(CCC[N@@H+](CC#CCN3CCCCC3)C2)CCO1 ZINC000004024941 210102282 /nfs/dbraw/zinc/10/22/82/210102282.db2.gz QMQBUMXFHNIBGU-LEWJYISDSA-N 1 1 332.532 3.537 50 30 biogenic EHEAMO C(=N/N1CC[NH+](Cc2ccccc2)CC1)\c1cccc2ccccc12 ZINC000019771580 212063187 /nfs/dbraw/zinc/06/31/87/212063187.db2.gz RIRNOMXXURRKDY-HAVVHWLPSA-N 1 1 329.447 3.992 50 30 EHEAMO Cc1cc(C)cc(C(=O)ONC(=[NH2+])c2ccc(Br)cc2)c1 ZINC000008572467 210966945 /nfs/dbraw/zinc/96/69/45/210966945.db2.gz PNINOPDCSYZRII-UHFFFAOYSA-N 1 1 347.212 3.543 50 30 EHEAMO C[N@H+](CC(=O)NCC#Cc1ccccc1)Cc1csc2ccccc12 ZINC000052806071 258015577 /nfs/dbraw/zinc/01/55/77/258015577.db2.gz INOYBQVZCDEHTQ-UHFFFAOYSA-N 1 1 348.471 3.501 50 30 EHEAMO C[N@@H+](CC(=O)NCC#Cc1ccccc1)Cc1csc2ccccc12 ZINC000052806071 258015579 /nfs/dbraw/zinc/01/55/79/258015579.db2.gz INOYBQVZCDEHTQ-UHFFFAOYSA-N 1 1 348.471 3.501 50 30 EHEAMO C=CCOC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102665 518989591 /nfs/dbraw/zinc/98/95/91/518989591.db2.gz AWXZCEUUJSIWHM-IBGZPJMESA-N 1 1 347.405 3.531 50 30 EHEAMO C=CCOC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102665 518989600 /nfs/dbraw/zinc/98/96/00/518989600.db2.gz AWXZCEUUJSIWHM-IBGZPJMESA-N 1 1 347.405 3.531 50 30 EHEAMO C=CCOc1ccccc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000055292148 519070004 /nfs/dbraw/zinc/07/00/04/519070004.db2.gz MCABPSGBRIKBNL-UHFFFAOYSA-N 1 1 326.415 3.713 50 30 EHEAMO C=CCn1ncc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)c1C ZINC000055153136 519290955 /nfs/dbraw/zinc/29/09/55/519290955.db2.gz CQBLWBAYIARHFG-FQEVSTJZSA-N 1 1 343.446 3.698 50 30 EHEAMO C=CCn1ncc(C[N@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)c1C ZINC000055153136 519290969 /nfs/dbraw/zinc/29/09/69/519290969.db2.gz CQBLWBAYIARHFG-FQEVSTJZSA-N 1 1 343.446 3.698 50 30 EHEAMO CCCCOc1ccc(C(=O)ONC(=[NH2+])c2ccc(Cl)cc2)cc1 ZINC000004832421 520872086 /nfs/dbraw/zinc/87/20/86/520872086.db2.gz RRAXGYYVOPZODV-UHFFFAOYSA-N 1 1 346.814 3.996 50 30 EHEAMO CCc1ccc(C[N@H+](CC(=O)NC2(C#N)CCCCC2)C2CC2)cc1 ZINC000059385122 563948840 /nfs/dbraw/zinc/94/88/40/563948840.db2.gz ORKRNCMIKSYPBB-UHFFFAOYSA-N 1 1 339.483 3.556 50 30 EHEAMO CCc1ccc(C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C2CC2)cc1 ZINC000059385122 563948842 /nfs/dbraw/zinc/94/88/42/563948842.db2.gz ORKRNCMIKSYPBB-UHFFFAOYSA-N 1 1 339.483 3.556 50 30 EHEAMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C2CC2)O1 ZINC000329896921 564001351 /nfs/dbraw/zinc/00/13/51/564001351.db2.gz CRQAKKFOYCZMGO-SJKOYZFVSA-N 1 1 347.846 3.689 50 30 EHEAMO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1)c1ccccc1 ZINC000046089323 564029566 /nfs/dbraw/zinc/02/95/66/564029566.db2.gz YQBITHXWBDFQKJ-GOSISDBHSA-N 1 1 339.464 3.832 50 30 EHEAMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1c1ccsc1)c1ccccc1 ZINC000046089323 564029567 /nfs/dbraw/zinc/02/95/67/564029567.db2.gz YQBITHXWBDFQKJ-GOSISDBHSA-N 1 1 339.464 3.832 50 30 EHEAMO C=CC[N@H+](Cc1cccs1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000095347359 564139242 /nfs/dbraw/zinc/13/92/42/564139242.db2.gz GAAGHRZNVLZAGW-UHFFFAOYSA-N 1 1 345.855 3.598 50 30 EHEAMO C=CC[N@@H+](Cc1cccs1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000095347359 564139243 /nfs/dbraw/zinc/13/92/43/564139243.db2.gz GAAGHRZNVLZAGW-UHFFFAOYSA-N 1 1 345.855 3.598 50 30 EHEAMO COc1cc2c(cc1OC)[C@@H]1CC[C@]3(C)/C(=N/O)CCC[C@H]3[N@H+]1CC2 ZINC000096028106 564145046 /nfs/dbraw/zinc/14/50/46/564145046.db2.gz NBJFREIVHGTJGX-NGBFUPLGSA-N 1 1 344.455 3.786 50 30 EHEAMO C=CC[N@@H+](Cc1ccc(C)s1)Cc1cc(OC)c(O)c(OC)c1 ZINC000055358685 214311990 /nfs/dbraw/zinc/31/19/90/214311990.db2.gz JJBGFGDNFPHKTP-UHFFFAOYSA-N 1 1 333.453 3.968 50 30 EHEAMO N#Cc1c(CN2CCC[N@@H+](Cc3ccccc3)CC2)cn2ccccc12 ZINC000036395390 213097314 /nfs/dbraw/zinc/09/73/14/213097314.db2.gz VMWLWJIAXWDXLT-UHFFFAOYSA-N 1 1 344.462 3.519 50 30 EHEAMO CCc1ccc(C[N@@H+](C)CCC(=O)Nc2sccc2C#N)cc1 ZINC000009386921 211079971 /nfs/dbraw/zinc/07/99/71/211079971.db2.gz QXMPDTAAKLLBEJ-UHFFFAOYSA-N 1 1 327.453 3.643 50 30 EHEAMO C=CCOC[C@H](O)C[N@H+](Cc1ccc(C)cc1)Cc1ccc(F)cc1 ZINC000036101995 518994552 /nfs/dbraw/zinc/99/45/52/518994552.db2.gz GOEXZPJMYXGZBQ-OAQYLSRUSA-N 1 1 343.442 3.700 50 30 EHEAMO C=CCc1cc(OC)ccc1OCCOCC[N@H+]1CCC[C@H](C)C1 ZINC000004905721 519132657 /nfs/dbraw/zinc/13/26/57/519132657.db2.gz HULNRFDPEKZVON-KRWDZBQOSA-N 1 1 333.472 3.551 50 30 EHEAMO CO/[NH+]=C(/C)c1ccc(NC=C2C(=O)CC(CC(C)C)CC2=O)cc1 ZINC000005250010 563524426 /nfs/dbraw/zinc/52/44/26/563524426.db2.gz XBHCTMSCSOTKIA-UXZXVIKKSA-N 1 1 342.439 3.947 50 30 EHEAMO C=CCOc1cccc(C[N@H+](C)C[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000063833380 564066437 /nfs/dbraw/zinc/06/64/37/564066437.db2.gz XPOSITPIBGIKOT-PZJWPPBQSA-N 1 1 328.500 3.948 50 30 EHEAMO C=CCOc1cccc(C[N@@H+](C)C[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000063833380 564066438 /nfs/dbraw/zinc/06/64/38/564066438.db2.gz XPOSITPIBGIKOT-PZJWPPBQSA-N 1 1 328.500 3.948 50 30 EHEAMO COc1ccc2[nH]cc(C3CC[NH+](C[C@@H](C#N)CCC#N)CC3)c2c1 ZINC000071825129 564111300 /nfs/dbraw/zinc/11/13/00/564111300.db2.gz OOSGFTCCLLYKDS-OAHLLOKOSA-N 1 1 336.439 3.799 50 30 EHEAMO CCN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(-c2ccc(C#N)cc2)cc1 ZINC000426369432 564135051 /nfs/dbraw/zinc/13/50/51/564135051.db2.gz VSBYPGTZQCFRHK-GOSISDBHSA-N 1 1 347.462 3.639 50 30 EHEAMO N#Cc1cccc(N2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)n1 ZINC000082116259 564135605 /nfs/dbraw/zinc/13/56/05/564135605.db2.gz IQBLQFLEXHTLAB-SFHVURJKSA-N 1 1 343.434 3.582 50 30 EHEAMO N#Cc1c2c(sc1NC(=O)C[N@@H+]1CC[C@H]3CCCC[C@@H]3C1)CCC2 ZINC000013116002 564136010 /nfs/dbraw/zinc/13/60/10/564136010.db2.gz PONCICRLDOWJID-ZIAGYGMSSA-N 1 1 343.496 3.559 50 30 EHEAMO N#Cc1c2c(sc1NC(=O)C[N@H+]1CC[C@H]3CCCC[C@@H]3C1)CCC2 ZINC000013116002 564136011 /nfs/dbraw/zinc/13/60/11/564136011.db2.gz PONCICRLDOWJID-ZIAGYGMSSA-N 1 1 343.496 3.559 50 30 EHEAMO CC(C)C[N@@H+](Cc1ccc(C#CC(C)(C)O)cc1)Cc1ccccn1 ZINC000055402574 214320143 /nfs/dbraw/zinc/32/01/43/214320143.db2.gz IZHDZQWHUXVLRW-UHFFFAOYSA-N 1 1 336.479 3.862 50 30 EHEAMO C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(N)c(C#N)c(-c3ccc(F)c(Cl)c3)c12 ZINC000067540548 215160049 /nfs/dbraw/zinc/16/00/49/215160049.db2.gz PPAVYQGXZWEINQ-ZUZCIYMTSA-N 1 1 342.805 3.686 50 30 EHEAMO Cc1c(C[N@H+]2CCC[C@@H](c3nc4c(cccc4C)[nH]3)C2)cc(C#N)n1C ZINC000072167336 216057231 /nfs/dbraw/zinc/05/72/31/216057231.db2.gz HBRSLYGYXGOYJG-MRXNPFEDSA-N 1 1 347.466 3.770 50 30 EHEAMO Cc1c(C[N@@H+]2CCC[C@@H](c3nc4cccc(C)c4[nH]3)C2)cc(C#N)n1C ZINC000072167336 216057237 /nfs/dbraw/zinc/05/72/37/216057237.db2.gz HBRSLYGYXGOYJG-MRXNPFEDSA-N 1 1 347.466 3.770 50 30 EHEAMO Cc1c(C[N@H+]2CCC[C@@H](c3nc4cccc(C)c4[nH]3)C2)cc(C#N)n1C ZINC000072167336 216057240 /nfs/dbraw/zinc/05/72/40/216057240.db2.gz HBRSLYGYXGOYJG-MRXNPFEDSA-N 1 1 347.466 3.770 50 30 EHEAMO CC(C)(O)C#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)s1 ZINC000215086044 241106240 /nfs/dbraw/zinc/10/62/40/241106240.db2.gz UNJNMBIHARPHDU-SFHVURJKSA-N 1 1 326.465 3.603 50 30 EHEAMO C=C(C)C[N@H+](CC)Cc1nc(-c2ccc(C(=O)OC)cc2)oc1C ZINC000012056503 211284087 /nfs/dbraw/zinc/28/40/87/211284087.db2.gz KCECZAABYRSZRT-UHFFFAOYSA-N 1 1 328.412 3.835 50 30 EHEAMO C=CC[N@@H+]1CCc2c(Cl)c(O)c(O)cc2[C@H](c2ccccc2)C1 ZINC000002539816 258046905 /nfs/dbraw/zinc/04/69/05/258046905.db2.gz HJWHHQIVUHOBQN-INIZCTEOSA-N 1 1 329.827 3.927 50 30 in-vitro EHEAMO Cc1ccc(C(=O)ONC(=[NH2+])Cc2ccc(Cl)cc2Cl)cc1 ZINC000004958126 526237459 /nfs/dbraw/zinc/23/74/59/526237459.db2.gz AUZTWJXYGHZBBX-UHFFFAOYSA-N 1 1 337.206 3.974 50 30 EHEAMO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000071915337 563619030 /nfs/dbraw/zinc/61/90/30/563619030.db2.gz WGEKBLDPUWJVIB-UWJYYQICSA-N 1 1 347.462 3.683 50 30 EHEAMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000071915328 563619074 /nfs/dbraw/zinc/61/90/74/563619074.db2.gz NHHZGXOFGFIDHU-UTKZUKDTSA-N 1 1 347.462 3.683 50 30 EHEAMO [NH2+]=C(Cc1ccc(Cl)cc1Cl)NOC(=O)c1ccccc1F ZINC000013497513 563699753 /nfs/dbraw/zinc/69/97/53/563699753.db2.gz YAQYUYOUMZCIBX-UHFFFAOYSA-N 1 1 341.169 3.804 50 30 EHEAMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000096433986 563952917 /nfs/dbraw/zinc/95/29/17/563952917.db2.gz DUVCIRMLDLHCEA-UHFFFAOYSA-N 1 1 339.443 3.595 50 30 EHEAMO N#Cc1c2c(sc1NC(=O)C[N@@H+]1CC[C@H]3CCCC[C@H]3C1)CCC2 ZINC000247745580 563981342 /nfs/dbraw/zinc/98/13/42/563981342.db2.gz PONCICRLDOWJID-KGLIPLIRSA-N 1 1 343.496 3.559 50 30 EHEAMO N#Cc1c2c(sc1NC(=O)C[N@H+]1CC[C@H]3CCCC[C@H]3C1)CCC2 ZINC000247745580 563981343 /nfs/dbraw/zinc/98/13/43/563981343.db2.gz PONCICRLDOWJID-KGLIPLIRSA-N 1 1 343.496 3.559 50 30 EHEAMO C[N@H+]1CC[C@@H](Cn2ccnc2-c2ccc(-c3ccccc3C#N)o2)C1 ZINC000071746848 563982913 /nfs/dbraw/zinc/98/29/13/563982913.db2.gz BLTSVJZFAAGYFL-OAHLLOKOSA-N 1 1 332.407 3.633 50 30 EHEAMO N#Cc1cccc(OCC[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000048374850 564031675 /nfs/dbraw/zinc/03/16/75/564031675.db2.gz WDBFKAQOEVRULF-QGZVFWFLSA-N 1 1 347.418 3.958 50 30 EHEAMO C[C@@H]1CCCC[N@H+]1Cc1cccc(NC(=O)N2CCC(C#N)CC2)c1 ZINC000299774410 564060784 /nfs/dbraw/zinc/06/07/84/564060784.db2.gz HNUHMRTWHZNXCF-MRXNPFEDSA-N 1 1 340.471 3.828 50 30 EHEAMO Cc1cc(O)c(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1C ZINC000084077086 564066222 /nfs/dbraw/zinc/06/62/22/564066222.db2.gz PXMUWGWKVHQQCW-UHFFFAOYSA-N 1 1 335.451 3.593 50 30 EHEAMO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000006559464 564092079 /nfs/dbraw/zinc/09/20/79/564092079.db2.gz OGUSERZRPYJRJW-UHFFFAOYSA-N 1 1 335.451 3.926 50 30 EHEAMO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000006559464 564092080 /nfs/dbraw/zinc/09/20/80/564092080.db2.gz OGUSERZRPYJRJW-UHFFFAOYSA-N 1 1 335.451 3.926 50 30 EHEAMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@H]3c3cccs3)C2=O)cc1 ZINC000089799971 564113919 /nfs/dbraw/zinc/11/39/19/564113919.db2.gz SHGVJRQRDAJCIR-DLBZAZTESA-N 1 1 337.448 3.562 50 30 EHEAMO Cc1cc([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3OCC#N)C2)[nH]n1 ZINC000076059690 564115155 /nfs/dbraw/zinc/11/51/55/564115155.db2.gz XDCAAMRJNYDLRS-CQSZACIVSA-N 1 1 344.846 3.654 50 30 EHEAMO Cc1cc([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3OCC#N)C2)n[nH]1 ZINC000076059690 564115156 /nfs/dbraw/zinc/11/51/56/564115156.db2.gz XDCAAMRJNYDLRS-CQSZACIVSA-N 1 1 344.846 3.654 50 30 EHEAMO Cc1cc([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3OCC#N)C2)n[nH]1 ZINC000076059690 564115157 /nfs/dbraw/zinc/11/51/57/564115157.db2.gz XDCAAMRJNYDLRS-CQSZACIVSA-N 1 1 344.846 3.654 50 30 EHEAMO Cc1ccc(CO)cc1NC(=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000328590668 564136702 /nfs/dbraw/zinc/13/67/02/564136702.db2.gz LCERFZSVNMEBGY-GOSISDBHSA-N 1 1 338.451 3.988 50 30 EHEAMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000052803853 214147225 /nfs/dbraw/zinc/14/72/25/214147225.db2.gz GCDDJLYPJKKXRX-KRWDZBQOSA-N 1 1 325.437 3.785 50 30 EHEAMO O=C(C#Cc1cccc2ccccc12)OC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000004029579 210102950 /nfs/dbraw/zinc/10/29/50/210102950.db2.gz WGXDVHFBHAOBKF-IRLDBZIGSA-N 1 1 347.458 3.999 50 30 biogenic EHEAMO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(Cl)cc1 ZINC000003585343 210059473 /nfs/dbraw/zinc/05/94/73/210059473.db2.gz CIYAANUCKPXTQT-UHFFFAOYSA-N 1 1 348.233 3.936 50 30 EHEAMO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(Cl)cc1 ZINC000003585343 210059475 /nfs/dbraw/zinc/05/94/75/210059475.db2.gz CIYAANUCKPXTQT-UHFFFAOYSA-N 1 1 348.233 3.936 50 30 EHEAMO C=C(C)COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](O)C3)cc1OCC ZINC000102730478 219225127 /nfs/dbraw/zinc/22/51/27/219225127.db2.gz OQHVXMVHUQRNIW-PIIMJCKOSA-N 1 1 331.456 3.528 50 30 EHEAMO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000072596755 216279345 /nfs/dbraw/zinc/27/93/45/216279345.db2.gz MZOSAABZAPMSDI-HOCLYGCPSA-N 1 1 329.469 3.505 50 30 EHEAMO C=CCCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000011955726 211273747 /nfs/dbraw/zinc/27/37/47/211273747.db2.gz NAPAPUHAFVBXTF-HXUWFJFHSA-N 1 1 348.437 3.746 50 30 EHEAMO C=CCCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000011955726 211273753 /nfs/dbraw/zinc/27/37/53/211273753.db2.gz NAPAPUHAFVBXTF-HXUWFJFHSA-N 1 1 348.437 3.746 50 30 EHEAMO N#Cc1cccc(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)c1 ZINC000095377165 218309797 /nfs/dbraw/zinc/30/97/97/218309797.db2.gz HAEGVDOOJUHHRJ-FCHUYYIVSA-N 1 1 331.463 3.655 50 30 EHEAMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)c1 ZINC000095377165 218309800 /nfs/dbraw/zinc/30/98/00/218309800.db2.gz HAEGVDOOJUHHRJ-FCHUYYIVSA-N 1 1 331.463 3.655 50 30 EHEAMO N#Cc1cccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)c1 ZINC000095377165 218309803 /nfs/dbraw/zinc/30/98/03/218309803.db2.gz HAEGVDOOJUHHRJ-FCHUYYIVSA-N 1 1 331.463 3.655 50 30 EHEAMO CC(C)[C@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)c1cccnc1 ZINC000328596047 258042974 /nfs/dbraw/zinc/04/29/74/258042974.db2.gz PNQWCMWQDPXSHJ-SFHVURJKSA-N 1 1 343.496 3.898 50 30 EHEAMO CC(C)[C@H](C(=O)NCC[N@H+]1CCc2sccc2C1)c1cccnc1 ZINC000328596047 258042975 /nfs/dbraw/zinc/04/29/75/258042975.db2.gz PNQWCMWQDPXSHJ-SFHVURJKSA-N 1 1 343.496 3.898 50 30 EHEAMO Cc1cccc(C(=O)ONC(=[NH2+])Cc2ccc(Cl)cc2Cl)c1 ZINC000004985883 524224077 /nfs/dbraw/zinc/22/40/77/524224077.db2.gz PVHMNNMXCXOXEB-UHFFFAOYSA-N 1 1 337.206 3.974 50 30 EHEAMO C#Cc1ccc(C[N@@H+]2CCC[C@@](CO)(CCc3ccccc3)C2)cc1 ZINC000015073556 564074236 /nfs/dbraw/zinc/07/42/36/564074236.db2.gz RJEKJUVUOSAKIA-HSZRJFAPSA-N 1 1 333.475 3.875 50 30 EHEAMO C#Cc1ccc(C[N@@H+]2CCC[C@](CO)(CCc3ccccc3)C2)cc1 ZINC000015073557 564074253 /nfs/dbraw/zinc/07/42/53/564074253.db2.gz RJEKJUVUOSAKIA-QHCPKHFHSA-N 1 1 333.475 3.875 50 30 EHEAMO Cc1c(CN2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cc(C#N)n1C ZINC000077471252 564134277 /nfs/dbraw/zinc/13/42/77/564134277.db2.gz ZKQRIQRDWLJBLY-IBGZPJMESA-N 1 1 333.439 3.727 50 30 EHEAMO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(c4cc(C#N)ccn4)C3)C2)c1 ZINC000426382597 564135044 /nfs/dbraw/zinc/13/50/44/564135044.db2.gz CTZYMAFBVGCYSL-JOCHJYFZSA-N 1 1 346.478 3.754 50 30 EHEAMO CO[C@H]1CCC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193049143 1026695794 /nfs/dbraw/zinc/69/57/94/1026695794.db2.gz QWHNAUPHHYNPBD-NRFANRHFSA-N 1 1 334.463 3.997 50 30 EHEAMO CC(C)(O)C#Cc1ccc(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)s1 ZINC000826585085 1131327672 /nfs/dbraw/zinc/32/76/72/1131327672.db2.gz QKAVMPWXMUKIFW-SFHVURJKSA-N 1 1 329.440 3.957 50 30 EHEAMO CC(C)(O)C#Cc1ccc(C[N@H+]2CC[C@H]2c2ccc(F)cc2)s1 ZINC000826585085 1131327677 /nfs/dbraw/zinc/32/76/77/1131327677.db2.gz QKAVMPWXMUKIFW-SFHVURJKSA-N 1 1 329.440 3.957 50 30 EHEAMO [NH2+]=C(Cc1ccc(Cl)cc1Cl)NOC(=O)c1ccc(F)cc1 ZINC000004690386 210249121 /nfs/dbraw/zinc/24/91/21/210249121.db2.gz IKLOPILYQKQZJF-UHFFFAOYSA-N 1 1 341.169 3.804 50 30 EHEAMO C=CC[N@H+](Cc1cc(OC)c(O)c(OC)c1)Cc1ccccc1C ZINC000055283727 214301933 /nfs/dbraw/zinc/30/19/33/214301933.db2.gz OCVFTDCXNBZZCA-UHFFFAOYSA-N 1 1 327.424 3.906 50 30 EHEAMO C=CC[N@@H+]1CCc2c(Cl)c(O)c(O)cc2[C@@H](c2ccccc2)C1 ZINC000003870318 210082066 /nfs/dbraw/zinc/08/20/66/210082066.db2.gz HJWHHQIVUHOBQN-MRXNPFEDSA-N 1 1 329.827 3.927 50 30 in-vitro EHEAMO COc1ccc([C@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000037458121 213148446 /nfs/dbraw/zinc/14/84/46/213148446.db2.gz MWJNVGMFLSTTPX-FOIQADDNSA-N 1 1 349.434 3.731 50 30 EHEAMO CCn1cc(C[N@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)cc1C#N ZINC000072151232 216039029 /nfs/dbraw/zinc/03/90/29/216039029.db2.gz SNHKKADMNROIKE-INIZCTEOSA-N 1 1 347.466 3.711 50 30 EHEAMO C=CCC[C@@H](C[N@H+](C)Cc1cccnc1)Oc1cccc(Cl)n1 ZINC000067725524 258010845 /nfs/dbraw/zinc/01/08/45/258010845.db2.gz HCOUDWQBVCCHFK-INIZCTEOSA-N 1 1 331.847 3.976 50 30 EHEAMO C=CCN(Cc1ccc(C)s1)C(=O)[C@@H]([NH3+])c1ccccc1Cl ZINC000055326001 518779110 /nfs/dbraw/zinc/77/91/10/518779110.db2.gz MXMQNFFKKLFLEV-INIZCTEOSA-N 1 1 334.872 3.925 50 30 EHEAMO COc1cc2c(cc1OC)[C@@H]1CC[C@]3(C)/C(=N/O)CCC[C@@H]3[N@H+]1CC2 ZINC000102197888 564083233 /nfs/dbraw/zinc/08/32/33/564083233.db2.gz NBJFREIVHGTJGX-RCWPLKBWSA-N 1 1 344.455 3.786 50 30 EHEAMO C=CCC[C@H](O)C[N@H+](CCC(C)C)Cc1cccc(OC)c1OC ZINC000036097311 564095985 /nfs/dbraw/zinc/09/59/85/564095985.db2.gz JGCNBXCUXIXTHE-SFHVURJKSA-N 1 1 335.488 3.879 50 30 EHEAMO C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1ccccc1C#N ZINC000007003152 564103009 /nfs/dbraw/zinc/10/30/09/564103009.db2.gz MPHJBTVWNLJOAE-MRXNPFEDSA-N 1 1 348.450 3.988 50 30 EHEAMO N#Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000089781001 564113704 /nfs/dbraw/zinc/11/37/04/564113704.db2.gz JUZFNHBGXWGKFY-IBGZPJMESA-N 1 1 340.471 3.724 50 30 EHEAMO CCC[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000252475033 564118994 /nfs/dbraw/zinc/11/89/94/564118994.db2.gz QZIRHELQRFXBCX-APWZRJJASA-N 1 1 325.456 3.566 50 30 EHEAMO C=CC[N@@H+]1CC[C@H](CNC(=O)N(Cc2ccccc2Cl)C2CC2)C1 ZINC000584893692 564131621 /nfs/dbraw/zinc/13/16/21/564131621.db2.gz KUCGHAOAYONNKK-OAHLLOKOSA-N 1 1 347.890 3.522 50 30 EHEAMO CC[C@@H](C)[N@H+](Cc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000069969951 564172940 /nfs/dbraw/zinc/17/29/40/564172940.db2.gz HYRWUBYQZCPBPV-OAHLLOKOSA-N 1 1 346.434 3.595 50 30 EHEAMO CC[C@@H](C)[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000069969951 564172941 /nfs/dbraw/zinc/17/29/41/564172941.db2.gz HYRWUBYQZCPBPV-OAHLLOKOSA-N 1 1 346.434 3.595 50 30 EHEAMO CCn1cc(C[N@H+]2CCC[C@@H](c3nc4c(cccc4C)[nH]3)C2)cc1C#N ZINC000072131814 216020799 /nfs/dbraw/zinc/02/07/99/216020799.db2.gz JANOFNNPHMXEAR-QGZVFWFLSA-N 1 1 347.466 3.944 50 30 EHEAMO CCn1cc(C[N@@H+]2CCC[C@@H](c3nc4cccc(C)c4[nH]3)C2)cc1C#N ZINC000072131814 216020802 /nfs/dbraw/zinc/02/08/02/216020802.db2.gz JANOFNNPHMXEAR-QGZVFWFLSA-N 1 1 347.466 3.944 50 30 EHEAMO CCn1cc(C[N@H+]2CCC[C@@H](c3nc4cccc(C)c4[nH]3)C2)cc1C#N ZINC000072131814 216020806 /nfs/dbraw/zinc/02/08/06/216020806.db2.gz JANOFNNPHMXEAR-QGZVFWFLSA-N 1 1 347.466 3.944 50 30 EHEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccc(F)cc3)CC2)c(C)c1 ZINC000020188290 212109454 /nfs/dbraw/zinc/10/94/54/212109454.db2.gz NVCJPJZTMGDQSR-HYARGMPZSA-N 1 1 325.431 3.594 50 30 EHEAMO CCCOc1ccc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019913163 258057042 /nfs/dbraw/zinc/05/70/42/258057042.db2.gz HDVUJDVWOVUUIP-OQKWZONESA-N 1 1 337.467 3.627 50 30 EHEAMO C=CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000011842029 518696409 /nfs/dbraw/zinc/69/64/09/518696409.db2.gz UTTWHWLSYGDXBH-FQEVSTJZSA-N 1 1 328.500 3.932 50 30 EHEAMO Cc1ccnc(C[C@H](C)[N@@H+](C)Cc2ccc(C#CC(C)(C)O)s2)c1 ZINC000055152857 525660062 /nfs/dbraw/zinc/66/00/62/525660062.db2.gz ZCOOZPWEFIGBDC-INIZCTEOSA-N 1 1 342.508 3.637 50 30 EHEAMO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1C1CCCCC1)c1ccccc1 ZINC000058152004 563937864 /nfs/dbraw/zinc/93/78/64/563937864.db2.gz KGRRRQZXSXBQIY-FQEVSTJZSA-N 1 1 339.483 3.978 50 30 EHEAMO N#CC1(NC(=O)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCSCC1 ZINC000328590311 563984202 /nfs/dbraw/zinc/98/42/02/563984202.db2.gz RLFFNBPCNCUKBY-QGZVFWFLSA-N 1 1 343.496 3.644 50 30 EHEAMO C[N@@H+](CC(=O)NC1(C#N)CCCCCC1)[C@@H]1CCCc2ccccc21 ZINC000048332568 564031091 /nfs/dbraw/zinc/03/10/91/564031091.db2.gz BRTWWMASRJUNBB-LJQANCHMSA-N 1 1 339.483 3.729 50 30 EHEAMO C=CCOc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000002893966 564036262 /nfs/dbraw/zinc/03/62/62/564036262.db2.gz BRGWWVQQENPRJV-UHFFFAOYSA-N 1 1 339.435 3.827 50 30 EHEAMO C=CCOc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000002893966 564036263 /nfs/dbraw/zinc/03/62/63/564036263.db2.gz BRGWWVQQENPRJV-UHFFFAOYSA-N 1 1 339.435 3.827 50 30 EHEAMO C[C@@H]1C[N@@H+](C)[C@@H](C)CC1=NOC(=O)c1ccc(Cl)c(Cl)c1 ZINC000252624355 564123163 /nfs/dbraw/zinc/12/31/63/564123163.db2.gz PMCBESAVNONELO-ZJUUUORDSA-N 1 1 329.227 3.866 50 30 EHEAMO CC[C@H](C)[N@H+](Cc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000071856397 564176071 /nfs/dbraw/zinc/17/60/71/564176071.db2.gz BKQVSQMSWMLNKL-HNNXBMFYSA-N 1 1 346.434 3.595 50 30 EHEAMO CC[C@H](C)[N@@H+](Cc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000071856397 564176072 /nfs/dbraw/zinc/17/60/72/564176072.db2.gz BKQVSQMSWMLNKL-HNNXBMFYSA-N 1 1 346.434 3.595 50 30 EHEAMO CCN(CC)c1ccc(NN=C2C(=O)N(c3ccccc3)N=C2C)cc1 ZINC000100210571 219094103 /nfs/dbraw/zinc/09/41/03/219094103.db2.gz SGSAJZRDVMPXJX-QOCHGBHMSA-N 1 1 349.438 3.723 50 30 EHEAMO Cc1c(C[N@H+]2CCC[C@H](COc3cccc(F)c3)C2)cc(C#N)n1C ZINC000072164268 216053307 /nfs/dbraw/zinc/05/33/07/216053307.db2.gz MPKSUTCKIGQKFP-INIZCTEOSA-N 1 1 341.430 3.635 50 30 EHEAMO CCc1ccccc1C[N@@H+]1CCc2nc[nH]c2[C@@H]1c1cccc(C#N)c1 ZINC000072407697 216198229 /nfs/dbraw/zinc/19/82/29/216198229.db2.gz KYKTVUANCRYYIA-QFIPXVFZSA-N 1 1 342.446 3.991 50 30 EHEAMO CCc1ccccc1C[N@H+]1CCc2nc[nH]c2[C@@H]1c1cccc(C#N)c1 ZINC000072407697 216198231 /nfs/dbraw/zinc/19/82/31/216198231.db2.gz KYKTVUANCRYYIA-QFIPXVFZSA-N 1 1 342.446 3.991 50 30 EHEAMO Cc1nc(C[NH+]2CCC(CNc3ccc(C#N)cc3F)CC2)oc1C ZINC000071894590 258064094 /nfs/dbraw/zinc/06/40/94/258064094.db2.gz GHKYIUUKBCOYET-UHFFFAOYSA-N 1 1 342.418 3.626 50 30 EHEAMO CC[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(OC)c(OC)c1 ZINC000032825250 563756445 /nfs/dbraw/zinc/75/64/45/563756445.db2.gz IJDOEKTWKZHVMU-UHFFFAOYSA-N 1 1 349.434 3.850 50 30 EHEAMO CC[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(OC)c(OC)c1 ZINC000032825250 563756449 /nfs/dbraw/zinc/75/64/49/563756449.db2.gz IJDOEKTWKZHVMU-UHFFFAOYSA-N 1 1 349.434 3.850 50 30 EHEAMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1C1CCCCC1)c1ccccc1 ZINC000058151999 563937885 /nfs/dbraw/zinc/93/78/85/563937885.db2.gz KGRRRQZXSXBQIY-HXUWFJFHSA-N 1 1 339.483 3.978 50 30 EHEAMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C#N)c1 ZINC000096433710 563952862 /nfs/dbraw/zinc/95/28/62/563952862.db2.gz ARTJNXGBEIQYQN-LJQANCHMSA-N 1 1 348.450 3.544 50 30 EHEAMO O=C(CN1C=CC(=C2C=CC(=O)C=C2)[NH+]=C1)c1ccc2ccccc2c1 ZINC000222007066 564130155 /nfs/dbraw/zinc/13/01/55/564130155.db2.gz OUDGVDDHIGHBST-UHFFFAOYSA-N 1 1 340.382 3.829 50 30 EHEAMO Cc1[nH+]ccn1-c1ccccc1CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000058141584 564157794 /nfs/dbraw/zinc/15/77/94/564157794.db2.gz CNNFRSIIIHWBOR-UHFFFAOYSA-N 1 1 333.351 3.573 50 30 EHEAMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000008142720 564163144 /nfs/dbraw/zinc/16/31/44/564163144.db2.gz LZTOQUVABBCKMG-KGLIPLIRSA-N 1 1 345.512 3.948 50 30 EHEAMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000008142720 564163145 /nfs/dbraw/zinc/16/31/45/564163145.db2.gz LZTOQUVABBCKMG-KGLIPLIRSA-N 1 1 345.512 3.948 50 30 EHEAMO N#Cc1ccsc1NC(=O)C[N@H+](Cc1ccco1)C1CCCC1 ZINC000053140070 214166800 /nfs/dbraw/zinc/16/68/00/214166800.db2.gz NCATYPNTGQWDFH-UHFFFAOYSA-N 1 1 329.425 3.596 50 30 EHEAMO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000053140070 214166803 /nfs/dbraw/zinc/16/68/03/214166803.db2.gz NCATYPNTGQWDFH-UHFFFAOYSA-N 1 1 329.425 3.596 50 30 EHEAMO CCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000328587194 258046509 /nfs/dbraw/zinc/04/65/09/258046509.db2.gz GBHHYNNFTNYLFS-HNNXBMFYSA-N 1 1 345.450 3.996 50 30 EHEAMO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1Cl ZINC000014932095 525299378 /nfs/dbraw/zinc/29/93/78/525299378.db2.gz MABPCGQGRMFJCR-AWEZNQCLSA-N 1 1 333.863 3.675 50 30 EHEAMO [NH2+]=C(NOC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 ZINC000004833657 526810876 /nfs/dbraw/zinc/81/08/76/526810876.db2.gz FGCWCUGPUDYYGZ-UHFFFAOYSA-N 1 1 344.414 3.949 50 30 EHEAMO C[C@H](c1ccc(Cl)cc1)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000058216134 563940075 /nfs/dbraw/zinc/94/00/75/563940075.db2.gz GBMJIHBGVMOHBM-YJYMSZOUSA-N 1 1 345.874 3.674 50 30 EHEAMO C[C@H](c1ccc(Cl)cc1)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000058216134 563940077 /nfs/dbraw/zinc/94/00/77/563940077.db2.gz GBMJIHBGVMOHBM-YJYMSZOUSA-N 1 1 345.874 3.674 50 30 EHEAMO C=CCn1cc(C[N@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cn1 ZINC000065382206 564066773 /nfs/dbraw/zinc/06/67/73/564066773.db2.gz SHXBLAKWPVFCID-FCHUYYIVSA-N 1 1 347.462 3.573 50 30 EHEAMO CSc1ccc(C=NN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000239165204 564075052 /nfs/dbraw/zinc/07/50/52/564075052.db2.gz NRNWHIYQAKZDIM-UHFFFAOYSA-N 1 1 325.481 3.560 50 30 EHEAMO C=CCC[C@@H](O)C[N@H+](CCC(C)C)Cc1cccc(OC)c1OC ZINC000036097309 564095996 /nfs/dbraw/zinc/09/59/96/564095996.db2.gz JGCNBXCUXIXTHE-GOSISDBHSA-N 1 1 335.488 3.879 50 30 EHEAMO Cc1nc(C#N)c(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)o1 ZINC000027794000 564134565 /nfs/dbraw/zinc/13/45/65/564134565.db2.gz AWYDKFHWPMYNOR-INIZCTEOSA-N 1 1 330.819 3.757 50 30 EHEAMO COc1ccccc1[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000058158436 564157812 /nfs/dbraw/zinc/15/78/12/564157812.db2.gz RZMYAGFKUWSUKW-OAHLLOKOSA-N 1 1 337.423 3.588 50 30 EHEAMO CC[N@H+](CC(=O)Nc1ccc(Cl)cn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741788 564175186 /nfs/dbraw/zinc/17/51/86/564175186.db2.gz LWPDCFHUOAXILC-ZDUSSCGKSA-N 1 1 342.830 3.628 50 30 EHEAMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741788 564175187 /nfs/dbraw/zinc/17/51/87/564175187.db2.gz LWPDCFHUOAXILC-ZDUSSCGKSA-N 1 1 342.830 3.628 50 30 EHEAMO CCC[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000071845383 564175954 /nfs/dbraw/zinc/17/59/54/564175954.db2.gz QZIRHELQRFXBCX-QFBILLFUSA-N 1 1 325.456 3.566 50 30 EHEAMO OCC#Cc1csc(C[N@H+]2CCCC[C@@H]2c2cccc(F)c2)c1 ZINC000828644567 1131443008 /nfs/dbraw/zinc/44/30/08/1131443008.db2.gz FMPTWLGRIQTJFO-LJQANCHMSA-N 1 1 329.440 3.958 50 30 EHEAMO CCC(C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1)(CC)OC(C)=O ZINC000055246626 214295160 /nfs/dbraw/zinc/29/51/60/214295160.db2.gz BRAPCPOGOWCNNC-LJQANCHMSA-N 1 1 328.456 3.734 50 30 biogenic EHEAMO CCC(C#CC[N@H+]1CCCC[C@@H]1c1cccnc1)(CC)OC(C)=O ZINC000055246626 214295165 /nfs/dbraw/zinc/29/51/65/214295165.db2.gz BRAPCPOGOWCNNC-LJQANCHMSA-N 1 1 328.456 3.734 50 30 biogenic EHEAMO CO/[NH+]=C(/C)c1ccc(NC(C)=C2C(=O)c3ccccc3C2=O)cc1 ZINC000100937171 219111582 /nfs/dbraw/zinc/11/15/82/219111582.db2.gz YSZMFKZQRYQCAB-UUYOSTAYSA-N 1 1 334.375 3.822 50 30 EHEAMO C/C(=N\N1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000033314144 212922249 /nfs/dbraw/zinc/92/22/49/212922249.db2.gz AKQYVLRLHYSPRV-LTGZKZEYSA-N 1 1 327.859 3.882 50 30 EHEAMO CCn1cc(C[NH+]2CCC(c3nc4cccc(C)c4[nH]3)CC2)cc1C#N ZINC000072163716 216051171 /nfs/dbraw/zinc/05/11/71/216051171.db2.gz ISBQWETXZNVVIV-UHFFFAOYSA-N 1 1 347.466 3.944 50 30 EHEAMO C/C(=N\N1CC[NH+](Cc2ccc(C)cc2C)CC1)c1ccccc1O ZINC000019791104 212068256 /nfs/dbraw/zinc/06/82/56/212068256.db2.gz QEPZSICFJUOGJZ-RELWKKBWSA-N 1 1 337.467 3.551 50 30 EHEAMO C=CCn1cc(C[N@H+](Cc2ccc(OCC)cc2)C2CC2)c(C)n1 ZINC000055369015 519277248 /nfs/dbraw/zinc/27/72/48/519277248.db2.gz IWVJIIFTRVVPEW-UHFFFAOYSA-N 1 1 325.456 3.941 50 30 EHEAMO Cc1ccc(NC=CC(=O)c2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000004052828 524915381 /nfs/dbraw/zinc/91/53/81/524915381.db2.gz VYEJTRLKPAIQAL-VAWYXSNFSA-N 1 1 335.451 3.555 50 30 EHEAMO Cc1onc(-c2ccccc2Cl)c1C(=O)ONC1=[NH+]CCCC1 ZINC000000137969 563241199 /nfs/dbraw/zinc/24/11/99/563241199.db2.gz DCSXCWWGRYEXER-UHFFFAOYSA-N 1 1 333.775 3.547 50 30 EHEAMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000032754455 563728047 /nfs/dbraw/zinc/72/80/47/563728047.db2.gz AKHVIVDQHQCOFB-CQSZACIVSA-N 1 1 333.391 3.936 50 30 EHEAMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000032754455 563728049 /nfs/dbraw/zinc/72/80/49/563728049.db2.gz AKHVIVDQHQCOFB-CQSZACIVSA-N 1 1 333.391 3.936 50 30 EHEAMO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000029810334 563908650 /nfs/dbraw/zinc/90/86/50/563908650.db2.gz QTWLPKGQHNYJOR-HXUWFJFHSA-N 1 1 333.435 3.553 50 30 EHEAMO C[C@@H](c1ccc(Cl)cc1)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000058216130 563940060 /nfs/dbraw/zinc/94/00/60/563940060.db2.gz GBMJIHBGVMOHBM-DJJJIMSYSA-N 1 1 345.874 3.674 50 30 EHEAMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000058216130 563940061 /nfs/dbraw/zinc/94/00/61/563940061.db2.gz GBMJIHBGVMOHBM-DJJJIMSYSA-N 1 1 345.874 3.674 50 30 EHEAMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000024250611 563999148 /nfs/dbraw/zinc/99/91/48/563999148.db2.gz OTEXNZRJIOOBOQ-LLVKDONJSA-N 1 1 349.406 3.920 50 30 EHEAMO C[N@@H+](CC(=O)NC1(C#N)CCCCCC1)[C@H]1CCCc2ccccc21 ZINC000048332569 564031061 /nfs/dbraw/zinc/03/10/61/564031061.db2.gz BRTWWMASRJUNBB-IBGZPJMESA-N 1 1 339.483 3.729 50 30 EHEAMO CC(C)c1nc(C#N)c(NC[C@@H](c2ccc(F)cc2F)[NH+](C)C)o1 ZINC000238900805 564105623 /nfs/dbraw/zinc/10/56/23/564105623.db2.gz KCYDPAJCUBIULX-HNNXBMFYSA-N 1 1 334.370 3.663 50 30 EHEAMO Cc1ccc(C[NH+]2CCN(N=Cc3ccc(F)cc3)CC2)c(C)c1 ZINC000002221987 564124050 /nfs/dbraw/zinc/12/40/50/564124050.db2.gz NVCJPJZTMGDQSR-UHFFFAOYSA-N 1 1 325.431 3.594 50 30 EHEAMO C[C@@](O)(C#CC[N@@H+]1CCCC[C@H]1c1cccnc1)CCc1ccccc1 ZINC000058980474 564129450 /nfs/dbraw/zinc/12/94/50/564129450.db2.gz ZWXAFZKAAAQSKI-XZOQPEGZSA-N 1 1 348.490 3.996 50 30 biogenic EHEAMO C[C@@](O)(C#CC[N@H+]1CCCC[C@H]1c1cccnc1)CCc1ccccc1 ZINC000058980474 564129451 /nfs/dbraw/zinc/12/94/51/564129451.db2.gz ZWXAFZKAAAQSKI-XZOQPEGZSA-N 1 1 348.490 3.996 50 30 biogenic EHEAMO CN(C[C@]1(C)CC[N@@H+](C)C1)C(=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000426551339 564135096 /nfs/dbraw/zinc/13/50/96/564135096.db2.gz QFNIHAIBKVRHCX-JOCHJYFZSA-N 1 1 347.462 3.639 50 30 EHEAMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000012998603 564135862 /nfs/dbraw/zinc/13/58/62/564135862.db2.gz SLDRHQBKSDJXRB-SFHVURJKSA-N 1 1 338.382 3.806 50 30 EHEAMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000012998603 564135863 /nfs/dbraw/zinc/13/58/63/564135863.db2.gz SLDRHQBKSDJXRB-SFHVURJKSA-N 1 1 338.382 3.806 50 30 EHEAMO C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc(O)c2)[C@H]1c1ccccc1 ZINC000328588889 564136649 /nfs/dbraw/zinc/13/66/49/564136649.db2.gz RXNVHIXYGHRWJL-FUMNGEBKSA-N 1 1 336.435 3.898 50 30 EHEAMO CC(C)CC[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000069416011 564169264 /nfs/dbraw/zinc/16/92/64/564169264.db2.gz QMOPEDFQYFRRTD-UHFFFAOYSA-N 1 1 333.501 3.805 50 30 EHEAMO COc1ccc([C@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000024715981 568418195 /nfs/dbraw/zinc/41/81/95/568418195.db2.gz MWJNVGMFLSTTPX-MGPUTAFESA-N 1 1 349.434 3.731 50 30 EHEAMO C=C(C)COc1cccc(C[NH2+][C@H](CC(C)C)c2ncnn2C)c1 ZINC000055166330 214282043 /nfs/dbraw/zinc/28/20/43/214282043.db2.gz SUKOUALYIKZTLT-GOSISDBHSA-N 1 1 328.460 3.647 50 30 EHEAMO CCC[C@@H](C)N1CC2(CC[NH+](Cc3ccccc3C#N)CC2)OC1=O ZINC000072439467 216234534 /nfs/dbraw/zinc/23/45/34/216234534.db2.gz YRMZZMOZAXPDAO-MRXNPFEDSA-N 1 1 341.455 3.534 50 30 EHEAMO Cc1cccc(NC(=S)NC[C@@H](c2cccnc2)[NH+](C)C)c1C ZINC000020234879 212113929 /nfs/dbraw/zinc/11/39/29/212113929.db2.gz ZUBXPOQZZQKIPO-KRWDZBQOSA-N 1 1 328.485 3.699 50 30 EHEAMO Cc1ccc(C[NH+]2CCN(N=Cc3ccccc3F)CC2)c(C)c1 ZINC000244708222 564088555 /nfs/dbraw/zinc/08/85/55/564088555.db2.gz KPTDKZBLPIBXFQ-UHFFFAOYSA-N 1 1 325.431 3.594 50 30 EHEAMO C=CCC[C@H](O)C[N@H+](CCC(C)C)Cc1cc(OC)cc(OC)c1 ZINC000036095149 564095897 /nfs/dbraw/zinc/09/58/97/564095897.db2.gz IRVMIROHBPAEEE-SFHVURJKSA-N 1 1 335.488 3.879 50 30 EHEAMO C[C@H](Nc1ccccc1NC(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000328589850 564136658 /nfs/dbraw/zinc/13/66/58/564136658.db2.gz KKYZKRXOSJGTCV-HNAYVOBHSA-N 1 1 339.439 3.778 50 30 EHEAMO C[C@H](Nc1ccccc1NC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000328589850 564136659 /nfs/dbraw/zinc/13/66/59/564136659.db2.gz KKYZKRXOSJGTCV-HNAYVOBHSA-N 1 1 339.439 3.778 50 30 EHEAMO Cc1[nH+]ccn1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000030697833 564157404 /nfs/dbraw/zinc/15/74/04/564157404.db2.gz HAGWWBKGZRXPLT-UHFFFAOYSA-N 1 1 339.443 3.625 50 30 EHEAMO CN(C(=O)C[N@@H+](C)[C@@H]1CCCc2ccccc21)C1(C#N)CCCCC1 ZINC000008339512 564164572 /nfs/dbraw/zinc/16/45/72/564164572.db2.gz IIWXDYIPPZPCNX-LJQANCHMSA-N 1 1 339.483 3.681 50 30 EHEAMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000329770429 1040697272 /nfs/dbraw/zinc/69/72/72/1040697272.db2.gz FZZZXRCBKAZZHV-ZDUSSCGKSA-N 1 1 347.846 3.691 50 30 EHEAMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCOCC2(CCC2)C1 ZINC000329770429 1040697281 /nfs/dbraw/zinc/69/72/81/1040697281.db2.gz FZZZXRCBKAZZHV-ZDUSSCGKSA-N 1 1 347.846 3.691 50 30 EHEAMO FC(F)(F)c1ccc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020171094 212108669 /nfs/dbraw/zinc/10/86/69/212108669.db2.gz UCWWPUJMPSQTMM-OEAKJJBVSA-N 1 1 347.384 3.857 50 30 EHEAMO C=CC[N@@H+](Cc1ccco1)C[C@@]1(c2cccc(OC)c2)CCOC1 ZINC000055042456 258014799 /nfs/dbraw/zinc/01/47/99/258014799.db2.gz BCCREUVUKPLPCB-FQEVSTJZSA-N 1 1 327.424 3.635 50 30 EHEAMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000032754456 563727977 /nfs/dbraw/zinc/72/79/77/563727977.db2.gz AKHVIVDQHQCOFB-AWEZNQCLSA-N 1 1 333.391 3.936 50 30 EHEAMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000032754456 563727980 /nfs/dbraw/zinc/72/79/80/563727980.db2.gz AKHVIVDQHQCOFB-AWEZNQCLSA-N 1 1 333.391 3.936 50 30 EHEAMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)ccc1OCC#N ZINC000070020190 563902658 /nfs/dbraw/zinc/90/26/58/563902658.db2.gz JWZJCKCFPBKOGD-UHFFFAOYSA-N 1 1 325.799 3.746 50 30 EHEAMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)ccc1OCC#N ZINC000070020190 563902659 /nfs/dbraw/zinc/90/26/59/563902659.db2.gz JWZJCKCFPBKOGD-UHFFFAOYSA-N 1 1 325.799 3.746 50 30 EHEAMO CCC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000060904175 563984261 /nfs/dbraw/zinc/98/42/61/563984261.db2.gz QZIRHELQRFXBCX-VQIMIIECSA-N 1 1 325.456 3.566 50 30 EHEAMO CC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccs1 ZINC000007613817 564120961 /nfs/dbraw/zinc/12/09/61/564120961.db2.gz SPMYWNOMTCPUQG-UHFFFAOYSA-N 1 1 345.493 3.631 50 30 EHEAMO CC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccs1 ZINC000007613817 564120962 /nfs/dbraw/zinc/12/09/62/564120962.db2.gz SPMYWNOMTCPUQG-UHFFFAOYSA-N 1 1 345.493 3.631 50 30 EHEAMO CCC1([C@](O)(C#CC[N@@H+](CCO)C(C)C)c2ccccc2)CCCC1 ZINC000002277871 564125630 /nfs/dbraw/zinc/12/56/30/564125630.db2.gz JHQBOABRDQGZJU-QFIPXVFZSA-N 1 1 343.511 3.551 50 30 EHEAMO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(c4cc(C#N)ccn4)C3)C2)c1 ZINC000426382598 564135041 /nfs/dbraw/zinc/13/50/41/564135041.db2.gz CTZYMAFBVGCYSL-QFIPXVFZSA-N 1 1 346.478 3.754 50 30 EHEAMO C=CCCc1ccccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000328589398 564136676 /nfs/dbraw/zinc/13/66/76/564136676.db2.gz IJLOWKLSGULGLK-IEBWSBKVSA-N 1 1 327.472 3.767 50 30 EHEAMO CC[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000030142154 564155475 /nfs/dbraw/zinc/15/54/75/564155475.db2.gz HNQAPZSGUQVVJT-CQSZACIVSA-N 1 1 345.512 3.949 50 30 EHEAMO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000030142154 564155476 /nfs/dbraw/zinc/15/54/76/564155476.db2.gz HNQAPZSGUQVVJT-CQSZACIVSA-N 1 1 345.512 3.949 50 30 EHEAMO Cc1noc2ncc(NC(=O)[C@H](C)[N@@H+]3CCc4ccccc4C3)cc12 ZINC000329728371 1040642626 /nfs/dbraw/zinc/64/26/26/1040642626.db2.gz FNRXDANYUDPPGN-ZDUSSCGKSA-N 1 1 336.395 3.566 50 30 EHEAMO Cc1noc2ncc(NC(=O)[C@H](C)[N@H+]3CCc4ccccc4C3)cc12 ZINC000329728371 1040642630 /nfs/dbraw/zinc/64/26/30/1040642630.db2.gz FNRXDANYUDPPGN-ZDUSSCGKSA-N 1 1 336.395 3.566 50 30 EHEAMO C[C@@H]1CCc2c(C#N)c(NC(=O)C[NH+]3CCCCCCC3)sc2C1 ZINC000003345215 210014948 /nfs/dbraw/zinc/01/49/48/210014948.db2.gz PUNFLPHWYHIZCD-CQSZACIVSA-N 1 1 345.512 3.949 50 30 EHEAMO C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(N)c(C#N)c(-c3ccc4occc4c3)c12 ZINC000067886604 215242902 /nfs/dbraw/zinc/24/29/02/215242902.db2.gz ODCFCVQSRABBJW-XJKSGUPXSA-N 1 1 330.391 3.640 50 30 EHEAMO C=CC[C@@H]1CC=C[C@@H](C)[N@@H+]1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000012299611 211337765 /nfs/dbraw/zinc/33/77/65/211337765.db2.gz YOSLAYUTDNISQE-UKRRQHHQSA-N 1 1 339.395 3.560 50 30 EHEAMO COc1ccc(C[NH+]2CCN(c3cccc(Cl)c3C#N)CC2)cc1 ZINC000057326825 132199730 /nfs/dbraw/zinc/19/97/30/132199730.db2.gz OUUIDKJCFKZZSS-UHFFFAOYSA-N 1 1 341.842 3.542 50 30 EHEAMO C=CCOC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104114 518994295 /nfs/dbraw/zinc/99/42/95/518994295.db2.gz HGVWLFAXUOVROQ-LJQANCHMSA-N 1 1 347.405 3.531 50 30 EHEAMO C=CCOC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104114 518994303 /nfs/dbraw/zinc/99/43/03/518994303.db2.gz HGVWLFAXUOVROQ-LJQANCHMSA-N 1 1 347.405 3.531 50 30 EHEAMO C=CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000007266499 519032796 /nfs/dbraw/zinc/03/27/96/519032796.db2.gz WRBMNXMCTZUWKL-MRXNPFEDSA-N 1 1 349.434 3.582 50 30 EHEAMO C=CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000007266499 519032800 /nfs/dbraw/zinc/03/28/00/519032800.db2.gz WRBMNXMCTZUWKL-MRXNPFEDSA-N 1 1 349.434 3.582 50 30 EHEAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000022333958 563966643 /nfs/dbraw/zinc/96/66/43/563966643.db2.gz LGHACQGXJJMMAX-QGZVFWFLSA-N 1 1 348.450 3.663 50 30 EHEAMO N#Cc1ccc(NC(=O)CC[N@H+]2CCOCC23CCCC3)cc1Cl ZINC000328914569 563974353 /nfs/dbraw/zinc/97/43/53/563974353.db2.gz IZOREYWNLGGMLM-UHFFFAOYSA-N 1 1 347.846 3.835 50 30 EHEAMO COc1cccc(C2=CC[N@@H+](CCCC3(C#N)CCOCC3)CC2)c1 ZINC000328586572 563983983 /nfs/dbraw/zinc/98/39/83/563983983.db2.gz GKXKKTLXAOWXIB-UHFFFAOYSA-N 1 1 340.467 3.885 50 30 EHEAMO C=CCC[C@H](C[N@@H+](C)Cc1cccnc1)Oc1cc(C)nc(CC)n1 ZINC000067713871 258011349 /nfs/dbraw/zinc/01/13/49/258011349.db2.gz JAXWORCKKMOFSL-GOSISDBHSA-N 1 1 340.471 3.588 50 30 EHEAMO C=CCC(=O)N(CC)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012004885 258017704 /nfs/dbraw/zinc/01/77/04/258017704.db2.gz SCJUNDRPSQVAHP-SFHVURJKSA-N 1 1 332.463 3.505 50 30 EHEAMO N#Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000058218619 564158101 /nfs/dbraw/zinc/15/81/01/564158101.db2.gz OTOAXZYVULXJQQ-IBGZPJMESA-N 1 1 348.450 3.592 50 30 EHEAMO Cc1noc2ncc(NC(=O)[C@@H](C)[N@@H+]3CCc4ccccc4C3)cc12 ZINC000329728370 1040643840 /nfs/dbraw/zinc/64/38/40/1040643840.db2.gz FNRXDANYUDPPGN-CYBMUJFWSA-N 1 1 336.395 3.566 50 30 EHEAMO Cc1noc2ncc(NC(=O)[C@@H](C)[N@H+]3CCc4ccccc4C3)cc12 ZINC000329728370 1040643847 /nfs/dbraw/zinc/64/38/47/1040643847.db2.gz FNRXDANYUDPPGN-CYBMUJFWSA-N 1 1 336.395 3.566 50 30 EHEAMO C#CC[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000055254435 214296705 /nfs/dbraw/zinc/29/67/05/214296705.db2.gz UUOKRFUIGHWURX-UHFFFAOYSA-N 1 1 349.409 3.860 50 30 EHEAMO C#CC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000055254435 214296709 /nfs/dbraw/zinc/29/67/09/214296709.db2.gz UUOKRFUIGHWURX-UHFFFAOYSA-N 1 1 349.409 3.860 50 30 EHEAMO C=CCn1c(C[N@@H+](C)CC(C)C)nnc1SCc1cccc(F)c1 ZINC000012280852 211333142 /nfs/dbraw/zinc/33/31/42/211333142.db2.gz GSNKGWCWMGUJPX-UHFFFAOYSA-N 1 1 348.491 3.983 50 30 EHEAMO C=CCn1c(C[N@H+](C)CC(C)C)nnc1SCc1cccc(F)c1 ZINC000012280852 211333149 /nfs/dbraw/zinc/33/31/49/211333149.db2.gz GSNKGWCWMGUJPX-UHFFFAOYSA-N 1 1 348.491 3.983 50 30 EHEAMO N#CCCn1cc(C(=O)C[N@@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000035279431 526466995 /nfs/dbraw/zinc/46/69/95/526466995.db2.gz SDYPTZNDLXSVFA-UHFFFAOYSA-N 1 1 343.430 3.796 50 30 EHEAMO N#CCCn1cc(C(=O)C[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000035279431 526467000 /nfs/dbraw/zinc/46/70/00/526467000.db2.gz SDYPTZNDLXSVFA-UHFFFAOYSA-N 1 1 343.430 3.796 50 30 EHEAMO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000071915336 563619050 /nfs/dbraw/zinc/61/90/50/563619050.db2.gz WGEKBLDPUWJVIB-UTKZUKDTSA-N 1 1 347.462 3.683 50 30 EHEAMO Cc1ccc(C(=O)ONC(=[NH2+])c2ccc(Br)cc2)cc1C ZINC000018172994 563850303 /nfs/dbraw/zinc/85/03/03/563850303.db2.gz LDEQWNMZRYQTAB-UHFFFAOYSA-N 1 1 347.212 3.543 50 30 aggregator EHEAMO CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCOc1cncc(Cl)c1 ZINC000328591497 563984239 /nfs/dbraw/zinc/98/42/39/563984239.db2.gz MJJIIYMCVPBONY-MRXNPFEDSA-N 1 1 339.867 3.725 50 30 EHEAMO CCOc1ccc2nc(/[NH+]=C3\N=C(C)CC(C)(C)N3)nc(C)c2c1 ZINC000000295626 563990332 /nfs/dbraw/zinc/99/03/32/563990332.db2.gz YBWXFWNLYXDWFJ-UHFFFAOYSA-N 1 1 325.416 3.557 50 30 biogenic EHEAMO CC(C)c1[nH+]ccn1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000182813850 564056395 /nfs/dbraw/zinc/05/63/95/564056395.db2.gz HDAQTFRSBPZWEX-UHFFFAOYSA-N 1 1 330.819 3.607 50 30 EHEAMO FC(F)(F)c1ccccc1C=NN1CC[NH+](Cc2ccccc2)CC1 ZINC000239222123 564088027 /nfs/dbraw/zinc/08/80/27/564088027.db2.gz UKFXNEPDUKJVAV-UHFFFAOYSA-N 1 1 347.384 3.857 50 30 EHEAMO C[C@H]1C[N@@H+](C)[C@@H](C)CC1=NOC(=O)c1ccc(Cl)c(Cl)c1 ZINC000252624353 564123144 /nfs/dbraw/zinc/12/31/44/564123144.db2.gz PMCBESAVNONELO-UWVGGRQHSA-N 1 1 329.227 3.866 50 30 EHEAMO Cc1cnc(C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)n1CC1CC1 ZINC000575545923 1131568844 /nfs/dbraw/zinc/56/88/44/1131568844.db2.gz OQQQCCQQRJXJKR-HXUWFJFHSA-N 1 1 334.467 3.538 50 30 EHEAMO Cc1ccnc(C[C@H](C)[N@@H+](C)Cc2ccc(C#CC(C)(C)O)cc2)c1 ZINC000055386270 214315648 /nfs/dbraw/zinc/31/56/48/214315648.db2.gz GEQYIDVWLXTCOZ-SFHVURJKSA-N 1 1 336.479 3.575 50 30 EHEAMO C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000003540626 210049658 /nfs/dbraw/zinc/04/96/58/210049658.db2.gz KYUVIKJUSNJHEF-CYBMUJFWSA-N 1 1 327.815 3.671 50 30 EHEAMO C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000003540626 210049660 /nfs/dbraw/zinc/04/96/60/210049660.db2.gz KYUVIKJUSNJHEF-CYBMUJFWSA-N 1 1 327.815 3.671 50 30 EHEAMO CCc1ccc(C[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000072268468 216088239 /nfs/dbraw/zinc/08/82/39/216088239.db2.gz RYKMPBXNNDAVLP-UHFFFAOYSA-N 1 1 341.480 3.870 50 30 EHEAMO CCc1ccc(C[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000072268468 216088241 /nfs/dbraw/zinc/08/82/41/216088241.db2.gz RYKMPBXNNDAVLP-UHFFFAOYSA-N 1 1 341.480 3.870 50 30 EHEAMO CCn1c(C)nnc1C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000328587195 258046413 /nfs/dbraw/zinc/04/64/13/258046413.db2.gz GBHHYNNFTNYLFS-OAHLLOKOSA-N 1 1 345.450 3.996 50 30 EHEAMO N#Cc1ccnc(C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@H]32)c1 ZINC000299759665 258076561 /nfs/dbraw/zinc/07/65/61/258076561.db2.gz PYMDEHXLFDDWBW-BHDDXSALSA-N 1 1 347.462 3.606 50 30 EHEAMO C=CCn1ncc(C[N@@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)c1C ZINC000055153137 519291462 /nfs/dbraw/zinc/29/14/62/519291462.db2.gz CQBLWBAYIARHFG-HXUWFJFHSA-N 1 1 343.446 3.698 50 30 EHEAMO C=CCn1ncc(C[N@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)c1C ZINC000055153137 519291469 /nfs/dbraw/zinc/29/14/69/519291469.db2.gz CQBLWBAYIARHFG-HXUWFJFHSA-N 1 1 343.446 3.698 50 30 EHEAMO C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3nnc4ccccn43)c2)C1 ZINC000065431499 563960807 /nfs/dbraw/zinc/96/08/07/563960807.db2.gz HUKDJDYHTQZUPE-HNNXBMFYSA-N 1 1 349.438 3.598 50 30 EHEAMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000025424029 564054351 /nfs/dbraw/zinc/05/43/51/564054351.db2.gz GZIGGMKMSKTHPD-XJKSGUPXSA-N 1 1 325.437 3.784 50 30 EHEAMO CSc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000006600230 564092635 /nfs/dbraw/zinc/09/26/35/564092635.db2.gz ZVJVWYSCYPTXQE-CQSZACIVSA-N 1 1 339.464 3.739 50 30 EHEAMO CSc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000006600230 564092636 /nfs/dbraw/zinc/09/26/36/564092636.db2.gz ZVJVWYSCYPTXQE-CQSZACIVSA-N 1 1 339.464 3.739 50 30 EHEAMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cccc(Cl)c1 ZINC000007267354 564106125 /nfs/dbraw/zinc/10/61/25/564106125.db2.gz SYPQHHCKPDBIFK-ZDUSSCGKSA-N 1 1 327.815 3.671 50 30 EHEAMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000007267354 564106126 /nfs/dbraw/zinc/10/61/26/564106126.db2.gz SYPQHHCKPDBIFK-ZDUSSCGKSA-N 1 1 327.815 3.671 50 30 EHEAMO Cc1cnc(C[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)n1CC1CC1 ZINC000575545917 1131568084 /nfs/dbraw/zinc/56/80/84/1131568084.db2.gz OQQQCCQQRJXJKR-FQEVSTJZSA-N 1 1 334.467 3.538 50 30 EHEAMO CCc1ccccc1C[N@@H+]1CCc2nc[nH]c2[C@H]1c1cccc(C#N)c1 ZINC000072407698 216197675 /nfs/dbraw/zinc/19/76/75/216197675.db2.gz KYKTVUANCRYYIA-JOCHJYFZSA-N 1 1 342.446 3.991 50 30 EHEAMO CCc1ccccc1C[N@H+]1CCc2nc[nH]c2[C@H]1c1cccc(C#N)c1 ZINC000072407698 216197677 /nfs/dbraw/zinc/19/76/77/216197677.db2.gz KYKTVUANCRYYIA-JOCHJYFZSA-N 1 1 342.446 3.991 50 30 EHEAMO C[C@@H]1CCC[C@H]2CCC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)[C@@H]12 ZINC000229649349 242186139 /nfs/dbraw/zinc/18/61/39/242186139.db2.gz YBPVBGBMLRPWKS-AOIWGVFYSA-N 1 1 331.504 3.572 50 30 EHEAMO COc1ccc(/C(C)=N\N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000019773030 212064073 /nfs/dbraw/zinc/06/40/73/212064073.db2.gz YSYLWSXFLHIUGF-PYCFMQQDSA-N 1 1 337.467 3.545 50 30 EHEAMO CC(C)(C)[N@H+](CC#CC[C@@](O)(c1ccccc1)C1CCCC1)CCO ZINC000004825383 210289480 /nfs/dbraw/zinc/28/94/80/210289480.db2.gz VZTIQIZAOFOTOF-JOCHJYFZSA-N 1 1 343.511 3.551 50 30 EHEAMO CC(=[NH+]Nc1ccc(F)cc1)c1cc(F)c(N2CCOCC2)cc1C ZINC000015658565 518453944 /nfs/dbraw/zinc/45/39/44/518453944.db2.gz VOMCXUGJEGUKOR-HMAPJEAMSA-N 1 1 345.393 3.946 50 30 EHEAMO C=CCC[C@@H](O)C[N@@H+](Cc1cccs1)Cc1ccc2c(c1)OCO2 ZINC000036103494 518717566 /nfs/dbraw/zinc/71/75/66/518717566.db2.gz RSLGAFWTOOODHW-MRXNPFEDSA-N 1 1 345.464 3.806 50 30 EHEAMO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000007266498 519032957 /nfs/dbraw/zinc/03/29/57/519032957.db2.gz WRBMNXMCTZUWKL-INIZCTEOSA-N 1 1 349.434 3.582 50 30 EHEAMO C=CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000007266498 519032960 /nfs/dbraw/zinc/03/29/60/519032960.db2.gz WRBMNXMCTZUWKL-INIZCTEOSA-N 1 1 349.434 3.582 50 30 EHEAMO C=CCC[C@@H](C[N@H+](C)Cc1cnccn1)Oc1ccnc2ccccc21 ZINC000072474122 564063853 /nfs/dbraw/zinc/06/38/53/564063853.db2.gz CCHYLICFKZYRSL-SFHVURJKSA-N 1 1 348.450 3.870 50 30 EHEAMO COc1ccccc1/C=C/C=NN1CC[NH+](Cc2ccccc2)CC1 ZINC000245232342 564088627 /nfs/dbraw/zinc/08/86/27/564088627.db2.gz SXOUUKQWOKMHEP-MYEDEKDNSA-N 1 1 335.451 3.512 50 30 EHEAMO C=CCCC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000065522850 564106893 /nfs/dbraw/zinc/10/68/93/564106893.db2.gz CQDBTHMXQGAZNN-UHFFFAOYSA-N 1 1 340.389 3.752 50 30 EHEAMO CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccccc1)C1(C#N)CCCCC1 ZINC000008735121 564167154 /nfs/dbraw/zinc/16/71/54/564167154.db2.gz DVKOCPHAVKGXPU-GOSISDBHSA-N 1 1 325.456 3.508 50 30 EHEAMO CO[C@@H]1CCC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193049123 1026695016 /nfs/dbraw/zinc/69/50/16/1026695016.db2.gz QWHNAUPHHYNPBD-OAQYLSRUSA-N 1 1 334.463 3.997 50 30 EHEAMO Cn1ccnc1C[NH+]1CCC(C(=O)NC(C)(C)c2cccs2)CC1 ZINC000329656900 1040557818 /nfs/dbraw/zinc/55/78/18/1040557818.db2.gz MXIWEPGJJZNYKM-UHFFFAOYSA-N 1 1 346.500 3.585 50 30 EHEAMO C=C(C)COc1c(C[NH2+][C@H](c2nccn2C)C(C)C)cccc1OC ZINC000055324877 214306476 /nfs/dbraw/zinc/30/64/76/214306476.db2.gz UYYOHXPWYJYZBN-SFHVURJKSA-N 1 1 343.471 3.871 50 30 EHEAMO C=CCn1cc(C[N@@H+](Cc2cccc(OC)c2OC)C(C)C)c(C)n1 ZINC000055415067 214322747 /nfs/dbraw/zinc/32/27/47/214322747.db2.gz BJUOQUAPUHQRGV-UHFFFAOYSA-N 1 1 343.471 3.805 50 30 EHEAMO C=CCn1cc(C[N@H+](Cc2cccc(OC)c2OC)C(C)C)c(C)n1 ZINC000055415067 214322750 /nfs/dbraw/zinc/32/27/50/214322750.db2.gz BJUOQUAPUHQRGV-UHFFFAOYSA-N 1 1 343.471 3.805 50 30 EHEAMO C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(N)c(C#N)c(-c3ccc(Cl)s3)c12 ZINC000067641777 215172124 /nfs/dbraw/zinc/17/21/24/215172124.db2.gz QKJMLHPKTWMIFB-GZMMTYOYSA-N 1 1 330.844 3.609 50 30 EHEAMO CCn1cc(C[N@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)cc1C#N ZINC000072151231 216039617 /nfs/dbraw/zinc/03/96/17/216039617.db2.gz SNHKKADMNROIKE-MRXNPFEDSA-N 1 1 347.466 3.711 50 30 EHEAMO C[C@@H]1C/C(=N/OC(=O)c2ccc(Cl)c(Cl)c2)[C@@H](C)C[N@H+]1C ZINC000022108056 212278108 /nfs/dbraw/zinc/27/81/08/212278108.db2.gz PMCBESAVNONELO-URWLQXLISA-N 1 1 329.227 3.866 50 30 EHEAMO C[N@H+]1CCc2nc(SCc3ccccc3Cl)c(C#N)cc2C1 ZINC000019683190 212055315 /nfs/dbraw/zinc/05/53/15/212055315.db2.gz BOGYNJAHKLXBJJ-UHFFFAOYSA-N 1 1 329.856 3.887 50 30 EHEAMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000079028859 217177769 /nfs/dbraw/zinc/17/77/69/217177769.db2.gz CNTLSAOBWXSAMI-GJZGRUSLSA-N 1 1 348.516 3.933 50 30 EHEAMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000095349224 218284007 /nfs/dbraw/zinc/28/40/07/218284007.db2.gz SZYVQCGKZLOJPQ-KRWDZBQOSA-N 1 1 349.478 3.846 50 30 EHEAMO C=CCN1c2ccccc2[N@@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1=N ZINC000019642948 258016458 /nfs/dbraw/zinc/01/64/58/258016458.db2.gz ATDAHNKRNWSWIT-UHFFFAOYSA-N 1 1 349.478 3.894 50 30 EHEAMO C=CCN1c2ccccc2[N@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1=N ZINC000019642948 258016460 /nfs/dbraw/zinc/01/64/60/258016460.db2.gz ATDAHNKRNWSWIT-UHFFFAOYSA-N 1 1 349.478 3.894 50 30 EHEAMO C[C@@H]1C[N@@H+](C)[C@H](C)CC1=NOC(=O)c1ccc(Cl)c(Cl)c1 ZINC000252624352 524908702 /nfs/dbraw/zinc/90/87/02/524908702.db2.gz PMCBESAVNONELO-NXEZZACHSA-N 1 1 329.227 3.866 50 30 EHEAMO CC[C@@](C)(C#CC[N@@H+]1CCCC[C@H]1c1cccnc1)OCCC#N ZINC000061997644 564002633 /nfs/dbraw/zinc/00/26/33/564002633.db2.gz KBFGKQRTONEQHI-PMACEKPBSA-N 1 1 325.456 3.711 50 30 biogenic EHEAMO CC[C@@](C)(C#CC[N@H+]1CCCC[C@H]1c1cccnc1)OCCC#N ZINC000061997644 564002634 /nfs/dbraw/zinc/00/26/34/564002634.db2.gz KBFGKQRTONEQHI-PMACEKPBSA-N 1 1 325.456 3.711 50 30 biogenic EHEAMO C#Cc1cccc(NC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000106915121 564026744 /nfs/dbraw/zinc/02/67/44/564026744.db2.gz DCJZHOIVFNELDT-QAPCUYQASA-N 1 1 339.464 3.544 50 30 EHEAMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000025424024 564054345 /nfs/dbraw/zinc/05/43/45/564054345.db2.gz GZIGGMKMSKTHPD-CZUORRHYSA-N 1 1 325.437 3.784 50 30 EHEAMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000036426292 564101301 /nfs/dbraw/zinc/10/13/01/564101301.db2.gz GZIGGMKMSKTHPD-CJNGLKHVSA-N 1 1 325.437 3.784 50 30 EHEAMO C(=NN1CC[NH+](Cc2ccccc2)CC1)c1cccc2ccccc12 ZINC000002955657 564128924 /nfs/dbraw/zinc/12/89/24/564128924.db2.gz RIRNOMXXURRKDY-UHFFFAOYSA-N 1 1 329.447 3.992 50 30 EHEAMO CSc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000328587031 564136531 /nfs/dbraw/zinc/13/65/31/564136531.db2.gz CCNIPBGGMPDWBG-IMJJTQAJSA-N 1 1 333.501 3.600 50 30 EHEAMO C=CCOc1ccccc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000055292060 214303199 /nfs/dbraw/zinc/30/31/99/214303199.db2.gz XFFXAUNZZMZTTH-UHFFFAOYSA-N 1 1 326.415 3.713 50 30 EHEAMO C[C@H](CC#N)[NH+]1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000072232578 216073379 /nfs/dbraw/zinc/07/33/79/216073379.db2.gz VQRMRORPNVHYSB-GFCCVEGCSA-N 1 1 330.382 3.836 50 30 EHEAMO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H]2CCCC[C@@H]21 ZINC000072596753 216279736 /nfs/dbraw/zinc/27/97/36/216279736.db2.gz MZOSAABZAPMSDI-ZBFHGGJFSA-N 1 1 329.469 3.505 50 30 EHEAMO C/C(=N/N1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000019419380 212026793 /nfs/dbraw/zinc/02/67/93/212026793.db2.gz AKQYVLRLHYSPRV-PGMHBOJBSA-N 1 1 327.859 3.882 50 30 EHEAMO C=CC[N@H+](CC#Cc1ccccc1)Cc1cccn1-c1cccnc1 ZINC000055071320 258014948 /nfs/dbraw/zinc/01/49/48/258014948.db2.gz HOCNZFCPSCUYTK-UHFFFAOYSA-N 1 1 327.431 3.912 50 30 EHEAMO C=CC[N@@H+](CC#Cc1ccccc1)Cc1cccn1-c1cccnc1 ZINC000055071320 258014949 /nfs/dbraw/zinc/01/49/49/258014949.db2.gz HOCNZFCPSCUYTK-UHFFFAOYSA-N 1 1 327.431 3.912 50 30 EHEAMO [NH3+]CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681813 258067302 /nfs/dbraw/zinc/06/73/02/258067302.db2.gz RWJCANHSJXNRDM-UHFFFAOYSA-N 1 1 349.090 3.684 50 30 EHEAMO C=CC[N@H+](CCn1c2ccccc2oc1=O)Cc1ccc(C)s1 ZINC000055341634 518775343 /nfs/dbraw/zinc/77/53/43/518775343.db2.gz SCPGPWSLZQOXJX-UHFFFAOYSA-N 1 1 328.437 3.653 50 30 EHEAMO Cc1cc(N[C@H](C)C(=O)Nc2ccccc2C#N)ccc1[NH+]1CCCC1 ZINC000032853720 563763139 /nfs/dbraw/zinc/76/31/39/563763139.db2.gz CCKZPTCPAYJZQC-MRXNPFEDSA-N 1 1 348.450 3.906 50 30 EHEAMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCC(=O)N1Cc1ccccc1 ZINC000071754695 563983001 /nfs/dbraw/zinc/98/30/01/563983001.db2.gz KSIRJWWMLUZTCQ-OAQYLSRUSA-N 1 1 347.462 3.571 50 30 EHEAMO CC(C)c1ccc(C#N)c(N[C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000534633610 563996680 /nfs/dbraw/zinc/99/66/80/563996680.db2.gz NNQSTKMKFFPUPF-SFHVURJKSA-N 1 1 335.455 3.548 50 30 EHEAMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000024250612 563999135 /nfs/dbraw/zinc/99/91/35/563999135.db2.gz OTEXNZRJIOOBOQ-NSHDSACASA-N 1 1 349.406 3.920 50 30 EHEAMO Cc1[nH+]ccn1CCSc1nc(C)cc(C(F)(F)F)c1C#N ZINC000095977371 564143591 /nfs/dbraw/zinc/14/35/91/564143591.db2.gz ULBALZBMSFJHRH-UHFFFAOYSA-N 1 1 326.347 3.578 50 30 EHEAMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000329770427 1040697324 /nfs/dbraw/zinc/69/73/24/1040697324.db2.gz FZZZXRCBKAZZHV-CYBMUJFWSA-N 1 1 347.846 3.691 50 30 EHEAMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCOCC2(CCC2)C1 ZINC000329770427 1040697331 /nfs/dbraw/zinc/69/73/31/1040697331.db2.gz FZZZXRCBKAZZHV-CYBMUJFWSA-N 1 1 347.846 3.691 50 30 EHEAMO [NH2+]=C(Cc1csc2ccccc12)NOC(=O)Nc1ccccc1 ZINC000004365570 210180694 /nfs/dbraw/zinc/18/06/94/210180694.db2.gz SLVQKVJAGVGRHH-UHFFFAOYSA-N 1 1 325.393 3.965 50 30 EHEAMO Cc1ccc(C#N)c(Oc2cc(F)c(C[NH+]3CCCC3)c(F)c2)n1 ZINC000067841080 215227529 /nfs/dbraw/zinc/22/75/29/215227529.db2.gz UXZXCYAWSKECJS-UHFFFAOYSA-N 1 1 329.350 3.928 50 30 EHEAMO C=CCOC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102663 518994767 /nfs/dbraw/zinc/99/47/67/518994767.db2.gz AWXZCEUUJSIWHM-LJQANCHMSA-N 1 1 347.405 3.531 50 30 EHEAMO C=CCOC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102663 518994769 /nfs/dbraw/zinc/99/47/69/518994769.db2.gz AWXZCEUUJSIWHM-LJQANCHMSA-N 1 1 347.405 3.531 50 30 EHEAMO COc1ccccc1CC(=[NH2+])NOC(=O)c1ccc(C(C)(C)C)cc1 ZINC000004170039 524367358 /nfs/dbraw/zinc/36/73/58/524367358.db2.gz GQGWDZFSCQXASJ-UHFFFAOYSA-N 1 1 340.423 3.664 50 30 EHEAMO C=C(C)COc1cc(CN2CCCC23CC[NH+](C)CC3)ccc1OC ZINC000097105359 563967676 /nfs/dbraw/zinc/96/76/76/563967676.db2.gz LOTBKTONHLBUNX-UHFFFAOYSA-N 1 1 344.499 3.710 50 30 EHEAMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(C)CC1 ZINC000014242317 563983673 /nfs/dbraw/zinc/98/36/73/563983673.db2.gz HGKRGOYZFLOQSV-AWEZNQCLSA-N 1 1 345.512 3.948 50 30 EHEAMO Cc1ccsc1C=NN1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC000244884072 564088596 /nfs/dbraw/zinc/08/85/96/564088596.db2.gz YERKOSLZJSQSEU-UHFFFAOYSA-N 1 1 327.497 3.825 50 30 EHEAMO C[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000007003043 564103037 /nfs/dbraw/zinc/10/30/37/564103037.db2.gz GSIBKHHJJOQXGZ-INIZCTEOSA-N 1 1 348.450 3.988 50 30 EHEAMO N#Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000089781002 564113718 /nfs/dbraw/zinc/11/37/18/564113718.db2.gz JUZFNHBGXWGKFY-LJQANCHMSA-N 1 1 340.471 3.724 50 30 EHEAMO CC(=O)O[C@@H](C#CC[N@@H+]1CCCC[C@H]1c1cccnc1)c1ccccc1 ZINC000252430630 564118404 /nfs/dbraw/zinc/11/84/04/564118404.db2.gz BHQFAKVIHHCRIZ-VXKWHMMOSA-N 1 1 348.446 3.916 50 30 EHEAMO CC(=O)O[C@@H](C#CC[N@H+]1CCCC[C@H]1c1cccnc1)c1ccccc1 ZINC000252430630 564118405 /nfs/dbraw/zinc/11/84/05/564118405.db2.gz BHQFAKVIHHCRIZ-VXKWHMMOSA-N 1 1 348.446 3.916 50 30 EHEAMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@H](C)C1 ZINC000008142723 564163172 /nfs/dbraw/zinc/16/31/72/564163172.db2.gz LZTOQUVABBCKMG-KBPBESRZSA-N 1 1 345.512 3.948 50 30 EHEAMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@H](C)C1 ZINC000008142723 564163173 /nfs/dbraw/zinc/16/31/73/564163173.db2.gz LZTOQUVABBCKMG-KBPBESRZSA-N 1 1 345.512 3.948 50 30 EHEAMO Cc1ccc(C[NH+]2CCN(N=Cc3cccc(F)c3)CC2)c(C)c1 ZINC000002215612 1137448791 /nfs/dbraw/zinc/44/87/91/1137448791.db2.gz WLIAFOXRNYOJCC-UHFFFAOYSA-N 1 1 325.431 3.594 50 30 EHEAMO CC(=O)OC1(C#CC[N@@H+]2CCCC[C@H]2c2cccnc2)CCCCC1 ZINC000055214597 214289427 /nfs/dbraw/zinc/28/94/27/214289427.db2.gz WCUBXUJRFAEODR-FQEVSTJZSA-N 1 1 340.467 3.878 50 30 biogenic EHEAMO CC(=O)OC1(C#CC[N@H+]2CCCC[C@H]2c2cccnc2)CCCCC1 ZINC000055214597 214289428 /nfs/dbraw/zinc/28/94/28/214289428.db2.gz WCUBXUJRFAEODR-FQEVSTJZSA-N 1 1 340.467 3.878 50 30 biogenic EHEAMO C=CCn1cc(C[N@H+]2CCC[C@@H](c3nc4c(cccc4C)[nH]3)C2)c(C)n1 ZINC000055270403 214299154 /nfs/dbraw/zinc/29/91/54/214299154.db2.gz WMGMTYYTHWDFIF-QGZVFWFLSA-N 1 1 349.482 3.942 50 30 EHEAMO C=CCn1cc(C[N@@H+]2CCC[C@@H](c3nc4cccc(C)c4[nH]3)C2)c(C)n1 ZINC000055270403 214299157 /nfs/dbraw/zinc/29/91/57/214299157.db2.gz WMGMTYYTHWDFIF-QGZVFWFLSA-N 1 1 349.482 3.942 50 30 EHEAMO C=CCn1cc(C[N@H+]2CCC[C@@H](c3nc4cccc(C)c4[nH]3)C2)c(C)n1 ZINC000055270403 214299161 /nfs/dbraw/zinc/29/91/61/214299161.db2.gz WMGMTYYTHWDFIF-QGZVFWFLSA-N 1 1 349.482 3.942 50 30 EHEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3cccc(Cl)c3)CC2)cc1 ZINC000020190790 212109438 /nfs/dbraw/zinc/10/94/38/212109438.db2.gz BBCJATHFFDATNK-KGENOOAVSA-N 1 1 327.859 3.800 50 30 EHEAMO Fc1cccc(Cl)c1/C=N/N1CC[NH+](Cc2ccccc2)CC1 ZINC000019419354 212027188 /nfs/dbraw/zinc/02/71/88/212027188.db2.gz XKYIQJRBGVWJGF-FYJGNVAPSA-N 1 1 331.822 3.631 50 30 EHEAMO Cc1ccc2nc(C3CC[NH+](Cc4cc(C#N)ccn4)CC3)[nH]c2c1 ZINC000299775634 258085824 /nfs/dbraw/zinc/08/58/24/258085824.db2.gz GFBHVRXIDWUMLU-UHFFFAOYSA-N 1 1 331.423 3.518 50 30 EHEAMO [NH2+]=C(NOC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000004679883 526809673 /nfs/dbraw/zinc/80/96/73/526809673.db2.gz NBUFTXJVYZIVNJ-UHFFFAOYSA-N 1 1 330.387 3.760 50 30 EHEAMO N#Cc1ccc(-c2cccc(C[NH2+][C@@H](C(N)=O)c3ccccc3)c2)s1 ZINC000072292520 563910194 /nfs/dbraw/zinc/91/01/94/563910194.db2.gz NZCAICCIHNDZOW-LJQANCHMSA-N 1 1 347.443 3.603 50 30 EHEAMO CC[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCC(=O)N1Cc1ccccc1 ZINC000071750722 563982989 /nfs/dbraw/zinc/98/29/89/563982989.db2.gz OZNWIZAJNDMVEG-NRFANRHFSA-N 1 1 347.462 3.571 50 30 EHEAMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1 ZINC000089878675 564114645 /nfs/dbraw/zinc/11/46/45/564114645.db2.gz RPYPKFPUMMEZMQ-QGZVFWFLSA-N 1 1 334.398 3.712 50 30 EHEAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000330298995 564138373 /nfs/dbraw/zinc/13/83/73/564138373.db2.gz LZGNKFFSDWJMCH-OKZBNKHCSA-N 1 1 338.455 3.553 50 30 EHEAMO N#Cc1c(Cl)nsc1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000076685457 564176494 /nfs/dbraw/zinc/17/64/94/564176494.db2.gz XGGWTLLXHUJKLV-ZDUSSCGKSA-N 1 1 332.860 3.745 50 30 EHEAMO [NH2+]=C(Cc1ccc(Cl)cc1Cl)NOC(=O)c1cccs1 ZINC000004170124 210138289 /nfs/dbraw/zinc/13/82/89/210138289.db2.gz XCVDOOVGNXIUAH-UHFFFAOYSA-N 1 1 329.208 3.727 50 30 EHEAMO C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(N)c(C#N)c(-c3cc4ccccc4o3)c12 ZINC000067679115 215183508 /nfs/dbraw/zinc/18/35/08/215183508.db2.gz RRGCXMHALXNJSD-SWLSCSKDSA-N 1 1 330.391 3.640 50 30 EHEAMO C=C(C)CSc1nc2sc3c(c2c(N)n1)CC[N@@H+](CCC)C3 ZINC000020829023 212175873 /nfs/dbraw/zinc/17/58/73/212175873.db2.gz FEHSRHFAAITBSL-UHFFFAOYSA-N 1 1 334.514 3.710 50 30 EHEAMO N#Cc1ccc(NC(=O)CCC[N@H+]2CCCC[C@@H]2c2ccccn2)cc1 ZINC000244641194 243049374 /nfs/dbraw/zinc/04/93/74/243049374.db2.gz GLCATYRSZSPWPR-HXUWFJFHSA-N 1 1 348.450 3.899 50 30 EHEAMO C=C(C)CSc1nc2sc3c(c2c(N)n1)CC[N@H+](CCC)C3 ZINC000020829023 212175874 /nfs/dbraw/zinc/17/58/74/212175874.db2.gz FEHSRHFAAITBSL-UHFFFAOYSA-N 1 1 334.514 3.710 50 30 EHEAMO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000009691576 211116566 /nfs/dbraw/zinc/11/65/66/211116566.db2.gz OLLMICCHWYAITF-ZDUSSCGKSA-N 1 1 339.464 3.740 50 30 EHEAMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000009691576 211116570 /nfs/dbraw/zinc/11/65/70/211116570.db2.gz OLLMICCHWYAITF-ZDUSSCGKSA-N 1 1 339.464 3.740 50 30 EHEAMO N#Cc1ccccc1CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000095353801 218287929 /nfs/dbraw/zinc/28/79/29/218287929.db2.gz MLZMNNFHEUGKGQ-PGRDOPGGSA-N 1 1 349.453 3.794 50 30 EHEAMO C=CCc1ccccc1OCC[N@H+](C)Cc1cnc2ccccc2n1 ZINC000055309127 519142368 /nfs/dbraw/zinc/14/23/68/519142368.db2.gz NGRQGODRTRPBQS-UHFFFAOYSA-N 1 1 333.435 3.869 50 30 EHEAMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@H](C)C1 ZINC000105879620 564025369 /nfs/dbraw/zinc/02/53/69/564025369.db2.gz LZTOQUVABBCKMG-UONOGXRCSA-N 1 1 345.512 3.948 50 30 EHEAMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@H](C)C1 ZINC000105879620 564025370 /nfs/dbraw/zinc/02/53/70/564025370.db2.gz LZTOQUVABBCKMG-UONOGXRCSA-N 1 1 345.512 3.948 50 30 EHEAMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)C1CC1 ZINC000108348679 564028105 /nfs/dbraw/zinc/02/81/05/564028105.db2.gz FIXGIMLGMNQNGK-ZIAGYGMSSA-N 1 1 331.485 3.750 50 30 EHEAMO CSc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000006600229 564092638 /nfs/dbraw/zinc/09/26/38/564092638.db2.gz ZVJVWYSCYPTXQE-AWEZNQCLSA-N 1 1 339.464 3.739 50 30 EHEAMO CSc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000006600229 564092639 /nfs/dbraw/zinc/09/26/39/564092639.db2.gz ZVJVWYSCYPTXQE-AWEZNQCLSA-N 1 1 339.464 3.739 50 30 EHEAMO C=CCCc1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000328589399 564136663 /nfs/dbraw/zinc/13/66/63/564136663.db2.gz IJLOWKLSGULGLK-MJGOQNOKSA-N 1 1 327.472 3.767 50 30 EHEAMO Cc1c(C[N@@H+](C)CCCOc2ccc(Cl)cc2)cc(C#N)n1C ZINC000952992130 1137485075 /nfs/dbraw/zinc/48/50/75/1137485075.db2.gz ZFIPZVUFAKOVGQ-UHFFFAOYSA-N 1 1 331.847 3.760 50 30 EHEAMO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H]3c3cccs3)C2=O)cc1 ZINC000028746840 212634022 /nfs/dbraw/zinc/63/40/22/212634022.db2.gz SHGVJRQRDAJCIR-SJORKVTESA-N 1 1 337.448 3.562 50 30 EHEAMO C[C@H]1C[N@@H+](C)[C@@H](C)C/C1=N/OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000022108061 212277848 /nfs/dbraw/zinc/27/78/48/212277848.db2.gz PMCBESAVNONELO-CRMSFDKBSA-N 1 1 329.227 3.866 50 30 EHEAMO N#Cc1ccc(Br)c(C[NH+]2CCC(OCC3CC3)CC2)c1 ZINC000242389297 243019691 /nfs/dbraw/zinc/01/96/91/243019691.db2.gz ZVYJEYUTVZKFRU-UHFFFAOYSA-N 1 1 349.272 3.712 50 30 EHEAMO C=CCNc1nc(Cl)c(C#N)c2c1C[N@@H+](C1CCCCC1)CC2 ZINC000013512571 564073883 /nfs/dbraw/zinc/07/38/83/564073883.db2.gz GEUIWOPIBFYVRZ-UHFFFAOYSA-N 1 1 330.863 3.895 50 30 EHEAMO C=CCNc1nc(Cl)c(C#N)c2c1C[N@H+](C1CCCCC1)CC2 ZINC000013512571 564073884 /nfs/dbraw/zinc/07/38/84/564073884.db2.gz GEUIWOPIBFYVRZ-UHFFFAOYSA-N 1 1 330.863 3.895 50 30 EHEAMO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCc2ccccc21 ZINC000029484439 564153543 /nfs/dbraw/zinc/15/35/43/564153543.db2.gz AIZZTOTYMVQDLJ-GOSISDBHSA-N 1 1 339.826 3.769 50 30 EHEAMO COc1ccccc1[C@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000058158435 564157818 /nfs/dbraw/zinc/15/78/18/564157818.db2.gz RZMYAGFKUWSUKW-HNNXBMFYSA-N 1 1 337.423 3.588 50 30 EHEAMO CC(C)CC[NH+](CC#C[C@@H](CO)NCc1ccccc1)CCC(C)C ZINC000022185005 1018330626 /nfs/dbraw/zinc/33/06/26/1018330626.db2.gz VGMOMMDHUGLLJZ-QFIPXVFZSA-N 1 1 344.543 3.535 50 30 EHEAMO C[N@@H+](Cc1ccccc1CNC(=O)C1(C#N)CCC1)C1CCCCC1 ZINC000134663413 1022111968 /nfs/dbraw/zinc/11/19/68/1022111968.db2.gz QYTLZYQWXSXLKV-UHFFFAOYSA-N 1 1 339.483 3.761 50 30 EHEAMO C[C@H]1C[N@@H+](C)[C@@H](C)C/C1=N\OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000004472700 210197013 /nfs/dbraw/zinc/19/70/13/210197013.db2.gz PMCBESAVNONELO-KKGGQNLVSA-N 1 1 329.227 3.866 50 30 EHEAMO C[C@@H]1C[N@@H+](C)[C@@H](C)C/C1=N\OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000004472697 210196566 /nfs/dbraw/zinc/19/65/66/210196566.db2.gz PMCBESAVNONELO-CQDYAGPQSA-N 1 1 329.227 3.866 50 30 EHEAMO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(C(C)(C)C)cc1 ZINC000003540057 210050119 /nfs/dbraw/zinc/05/01/19/210050119.db2.gz SKVXPWBCEYGIAA-UHFFFAOYSA-N 1 1 341.480 3.988 50 30 EHEAMO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(C(C)(C)C)cc1 ZINC000003540057 210050123 /nfs/dbraw/zinc/05/01/23/210050123.db2.gz SKVXPWBCEYGIAA-UHFFFAOYSA-N 1 1 341.480 3.988 50 30 EHEAMO Oc1ccc2ccccc2c1/C=N/N1CC[NH+](Cc2ccccc2)CC1 ZINC000019771678 212063583 /nfs/dbraw/zinc/06/35/83/212063583.db2.gz DPHIYJOMKUPDTA-XQNSMLJCSA-N 1 1 345.446 3.697 50 30 EHEAMO C=CCn1cc(C[N@H+](Cc2cccc(C)c2)C[C@H]2CCCO2)c(C)n1 ZINC000055100142 519276991 /nfs/dbraw/zinc/27/69/91/519276991.db2.gz LOVBLHMHRGJHHX-OAQYLSRUSA-N 1 1 339.483 3.867 50 30 EHEAMO [NH2+]=C(NOC(=O)CCC1CCCC1)c1ccc(Br)cc1 ZINC000005013533 526806465 /nfs/dbraw/zinc/80/64/65/526806465.db2.gz XQFVDWRZCXKKQU-UHFFFAOYSA-N 1 1 339.233 3.583 50 30 EHEAMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000071915329 563619062 /nfs/dbraw/zinc/61/90/62/563619062.db2.gz NHHZGXOFGFIDHU-UWJYYQICSA-N 1 1 347.462 3.683 50 30 EHEAMO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000032899553 563785413 /nfs/dbraw/zinc/78/54/13/563785413.db2.gz PCDBKRKQIUMWHV-FQEVSTJZSA-N 1 1 334.419 3.753 50 30 EHEAMO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000032899553 563785415 /nfs/dbraw/zinc/78/54/15/563785415.db2.gz PCDBKRKQIUMWHV-FQEVSTJZSA-N 1 1 334.419 3.753 50 30 EHEAMO CC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCC(=O)N1Cc1ccccc1 ZINC000071750721 563983014 /nfs/dbraw/zinc/98/30/14/563983014.db2.gz OZNWIZAJNDMVEG-OAQYLSRUSA-N 1 1 347.462 3.571 50 30 EHEAMO C#CC[NH+]=c1cc2oc3cc(N(C)C)ccc3nc-2c2ccccc21 ZINC000526058470 564077252 /nfs/dbraw/zinc/07/72/52/564077252.db2.gz YFCBWOFMYCEIRK-UHFFFAOYSA-N 1 1 327.387 3.686 50 30 EHEAMO C=CCC[C@@H](O)C[N@H+](CCC(C)C)Cc1ccc(OC)c(OC)c1 ZINC000036096144 564095861 /nfs/dbraw/zinc/09/58/61/564095861.db2.gz QISRDRVCEGWUBK-GOSISDBHSA-N 1 1 335.488 3.879 50 30 EHEAMO Cc1[nH+]ccn1-c1c2c(c(C#N)c3nc4ccccc4n31)CCCC2 ZINC000000083779 564132795 /nfs/dbraw/zinc/13/27/95/564132795.db2.gz BGHZRQQBPAQMSF-UHFFFAOYSA-N 1 1 327.391 3.732 50 30 EHEAMO Cc1ccc(CO)cc1NC(=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000328590669 564136687 /nfs/dbraw/zinc/13/66/87/564136687.db2.gz LCERFZSVNMEBGY-SFHVURJKSA-N 1 1 338.451 3.988 50 30 EHEAMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000095953661 564142416 /nfs/dbraw/zinc/14/24/16/564142416.db2.gz FIXGIMLGMNQNGK-KGLIPLIRSA-N 1 1 331.485 3.750 50 30 EHEAMO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc2ccccc2c1 ZINC000008127408 564162882 /nfs/dbraw/zinc/16/28/82/564162882.db2.gz YDXWESYAFBIJIJ-UHFFFAOYSA-N 1 1 329.403 3.782 50 30 EHEAMO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc2ccccc2c1 ZINC000008127408 564162883 /nfs/dbraw/zinc/16/28/83/564162883.db2.gz YDXWESYAFBIJIJ-UHFFFAOYSA-N 1 1 329.403 3.782 50 30 EHEAMO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000190039446 238185622 /nfs/dbraw/zinc/18/56/22/238185622.db2.gz OQYLZXXSYFCUED-CQSZACIVSA-N 1 1 342.389 3.881 50 30 EHEAMO FC(F)(F)c1ccccc1/C=N/N1CC[NH+](Cc2ccccc2)CC1 ZINC000019798435 212070239 /nfs/dbraw/zinc/07/02/39/212070239.db2.gz UKFXNEPDUKJVAV-OEAKJJBVSA-N 1 1 347.384 3.857 50 30 EHEAMO CC(C)(C)[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000078705967 217105483 /nfs/dbraw/zinc/10/54/83/217105483.db2.gz YXEJBCQYXHMEHX-LJQANCHMSA-N 1 1 338.451 3.599 50 30 EHEAMO C=CCc1cc(C[NH2+][C@H](CC)c2ncnn2C)ccc1OC(C)C ZINC000055414394 519132989 /nfs/dbraw/zinc/13/29/89/519132989.db2.gz PHZOAITZNJBGCR-QGZVFWFLSA-N 1 1 328.460 3.572 50 30 EHEAMO C=CCc1cc(OC)ccc1OCCOCC[N@H+]1CCC[C@@H](C)C1 ZINC000004905717 519133008 /nfs/dbraw/zinc/13/30/08/519133008.db2.gz HULNRFDPEKZVON-QGZVFWFLSA-N 1 1 333.472 3.551 50 30 EHEAMO CCOc1ccccc1C[N@@H+](CC)Cc1cc(C#CCO)cs1 ZINC000055405142 521477687 /nfs/dbraw/zinc/47/76/87/521477687.db2.gz AUVSYRHMINHXHV-UHFFFAOYSA-N 1 1 329.465 3.513 50 30 EHEAMO Cc1ccnc(C[C@@H](C)[N@@H+](C)Cc2ccc(C#CC(C)(C)O)s2)c1 ZINC000055152855 525659215 /nfs/dbraw/zinc/65/92/15/525659215.db2.gz ZCOOZPWEFIGBDC-MRXNPFEDSA-N 1 1 342.508 3.637 50 30 EHEAMO N#CCCN1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000040086141 526459791 /nfs/dbraw/zinc/45/97/91/526459791.db2.gz GEIMHBINPDZVOG-UHFFFAOYSA-N 1 1 329.444 3.585 50 30 EHEAMO N#Cc1c(N)nc2c(c1-c1ccccc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000018222901 564018881 /nfs/dbraw/zinc/01/88/81/564018881.db2.gz IWTFNUYXOVCNPZ-UHFFFAOYSA-N 1 1 340.430 3.761 50 30 EHEAMO C=CC[N@@H+]1CC[C@@H](CNC(=O)N(Cc2ccccc2Cl)C2CC2)C1 ZINC000584893691 564131618 /nfs/dbraw/zinc/13/16/18/564131618.db2.gz KUCGHAOAYONNKK-HNNXBMFYSA-N 1 1 347.890 3.522 50 30 EHEAMO C[C@H](Nc1ccccc1NC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000328589851 564136645 /nfs/dbraw/zinc/13/66/45/564136645.db2.gz KKYZKRXOSJGTCV-KXBFYZLASA-N 1 1 339.439 3.778 50 30 EHEAMO C[C@H](Nc1ccccc1NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000328589851 564136646 /nfs/dbraw/zinc/13/66/46/564136646.db2.gz KKYZKRXOSJGTCV-KXBFYZLASA-N 1 1 339.439 3.778 50 30 EHEAMO CCCC[N@H+]1CCCC[C@H]1C(=O)NCCOc1cncc(Cl)c1 ZINC000328591496 564136740 /nfs/dbraw/zinc/13/67/40/564136740.db2.gz MJJIIYMCVPBONY-INIZCTEOSA-N 1 1 339.867 3.725 50 30 EHEAMO Cc1[nH+]ccn1-c1ccc(CNc2snc(Cl)c2C#N)cc1F ZINC000058357451 564158836 /nfs/dbraw/zinc/15/88/36/564158836.db2.gz JDJGZJNIPBUJDB-UHFFFAOYSA-N 1 1 347.806 3.914 50 30 EHEAMO CCCNC(=O)c1cccc(CNC(=[NH+]C(C)C)c2cccs2)c1 ZINC000071843646 564175866 /nfs/dbraw/zinc/17/58/66/564175866.db2.gz IRWSIACMKIDFEE-UHFFFAOYSA-N 1 1 343.496 3.833 50 30 EHEAMO N#Cc1cccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)c1 ZINC000091664676 218043037 /nfs/dbraw/zinc/04/30/37/218043037.db2.gz RBMGHTOOKXKRKV-FCHUYYIVSA-N 1 1 331.463 3.655 50 30 EHEAMO C=CC[N@@H+](Cc1ccco1)C[C@]1(c2cccc(OC)c2)CCOC1 ZINC000055042457 258014698 /nfs/dbraw/zinc/01/46/98/258014698.db2.gz BCCREUVUKPLPCB-HXUWFJFHSA-N 1 1 327.424 3.635 50 30 EHEAMO Cc1ccccc1C[C@]1(CO)CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000015077024 258017177 /nfs/dbraw/zinc/01/71/77/258017177.db2.gz ZHBGICVSPXSFIT-HSZRJFAPSA-N 1 1 333.475 3.664 50 30 EHEAMO C=CC[C@@H]1CC=C[C@@H](C)[N@H+]1Cc1nc(Cc2cccc(F)c2)no1 ZINC000012439055 519107419 /nfs/dbraw/zinc/10/74/19/519107419.db2.gz IKSXIMQXZWKZKN-RHSMWYFYSA-N 1 1 327.403 3.895 50 30 EHEAMO C=CC[C@@H]1CC=C[C@@H](C)[N@@H+]1Cc1nc(Cc2cccc(F)c2)no1 ZINC000012439055 519107426 /nfs/dbraw/zinc/10/74/26/519107426.db2.gz IKSXIMQXZWKZKN-RHSMWYFYSA-N 1 1 327.403 3.895 50 30 EHEAMO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H]1CCc2ccccc21 ZINC000029810335 522422971 /nfs/dbraw/zinc/42/29/71/522422971.db2.gz QTWLPKGQHNYJOR-FQEVSTJZSA-N 1 1 333.435 3.553 50 30 EHEAMO CC[NH+](CC)CC(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000020136406 563918205 /nfs/dbraw/zinc/91/82/05/563918205.db2.gz VFKFRLKKDAZCDI-UHFFFAOYSA-N 1 1 348.516 3.936 50 30 EHEAMO C[C@](O)(C#CC[N@@H+]1CCCC[C@H]1c1cccnc1)CCc1ccccc1 ZINC000252695440 564124983 /nfs/dbraw/zinc/12/49/83/564124983.db2.gz ZWXAFZKAAAQSKI-GOTSBHOMSA-N 1 1 348.490 3.996 50 30 biogenic EHEAMO C[C@](O)(C#CC[N@H+]1CCCC[C@H]1c1cccnc1)CCc1ccccc1 ZINC000252695440 564124984 /nfs/dbraw/zinc/12/49/84/564124984.db2.gz ZWXAFZKAAAQSKI-GOTSBHOMSA-N 1 1 348.490 3.996 50 30 biogenic EHEAMO CC[C@@H](C)[N@@H+](CC#Cc1ccccc1)Cc1ccc(C#CCO)s1 ZINC000055392809 214316339 /nfs/dbraw/zinc/31/63/39/214316339.db2.gz CXIXVSXRFFLBNI-GOSISDBHSA-N 1 1 337.488 3.744 50 30 EHEAMO C[C@@H]1C/C(=N\OC(=O)c2ccc(Cl)c(Cl)c2)[C@@H](C)C[N@H+]1C ZINC000004472699 210196451 /nfs/dbraw/zinc/19/64/51/210196451.db2.gz PMCBESAVNONELO-HRWPLVPRSA-N 1 1 329.227 3.866 50 30 EHEAMO C[C@@H]1CCCC[N@H+]1C1CN(Cc2ccc(-c3ccccc3C#N)o2)C1 ZINC000072163871 216053372 /nfs/dbraw/zinc/05/33/72/216053372.db2.gz VNLFNYSRVCYDRF-MRXNPFEDSA-N 1 1 335.451 3.877 50 30 EHEAMO CCOc1ccc(/C=N\N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000033089324 520855899 /nfs/dbraw/zinc/85/58/99/520855899.db2.gz LZIYGQHDKZZEKI-JWGURIENSA-N 1 1 337.467 3.545 50 30 EHEAMO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000032899554 563785354 /nfs/dbraw/zinc/78/53/54/563785354.db2.gz PCDBKRKQIUMWHV-HXUWFJFHSA-N 1 1 334.419 3.753 50 30 EHEAMO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000032899554 563785355 /nfs/dbraw/zinc/78/53/55/563785355.db2.gz PCDBKRKQIUMWHV-HXUWFJFHSA-N 1 1 334.419 3.753 50 30 EHEAMO COc1ccc(NC2=[NH+]C(C)(C)Cc3cc(OC)c(OC)cc32)cc1 ZINC000000096450 563977895 /nfs/dbraw/zinc/97/78/95/563977895.db2.gz HFHXPKDVUXNGOU-UHFFFAOYSA-N 1 1 340.423 3.715 50 30 EHEAMO C[C@@H](c1ccc(Cl)cc1)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000064143106 564085310 /nfs/dbraw/zinc/08/53/10/564085310.db2.gz GBMJIHBGVMOHBM-ORAYPTAESA-N 1 1 345.874 3.674 50 30 EHEAMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000064143106 564085311 /nfs/dbraw/zinc/08/53/11/564085311.db2.gz GBMJIHBGVMOHBM-ORAYPTAESA-N 1 1 345.874 3.674 50 30 EHEAMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000170626900 564110563 /nfs/dbraw/zinc/11/05/63/564110563.db2.gz FIIWAEDRJKLCTF-MJGOQNOKSA-N 1 1 329.488 3.540 50 30 EHEAMO N#Cc1ccc(N2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)nc1 ZINC000082107221 564135541 /nfs/dbraw/zinc/13/55/41/564135541.db2.gz LQBHSSWKXMAKRC-IBGZPJMESA-N 1 1 343.434 3.582 50 30 EHEAMO C=CCSCC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000054012134 214210561 /nfs/dbraw/zinc/21/05/61/214210561.db2.gz XSWHGHOHQWOAFI-UHFFFAOYSA-N 1 1 329.469 3.913 50 30 EHEAMO C[C@@H]1CCC[C@@H]2CCC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)[C@@H]12 ZINC000229649336 242184903 /nfs/dbraw/zinc/18/49/03/242184903.db2.gz YBPVBGBMLRPWKS-LMMKCTJWSA-N 1 1 331.504 3.572 50 30 EHEAMO CCC[N@H+](CC(=O)Nc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000097357105 219013676 /nfs/dbraw/zinc/01/36/76/219013676.db2.gz VWPMMXDJXLANCL-UHFFFAOYSA-N 1 1 325.387 3.548 50 30 EHEAMO CCC[N@@H+](CC(=O)Nc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000097357105 219013677 /nfs/dbraw/zinc/01/36/77/219013677.db2.gz VWPMMXDJXLANCL-UHFFFAOYSA-N 1 1 325.387 3.548 50 30 EHEAMO C=CCCC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000012207722 258017155 /nfs/dbraw/zinc/01/71/55/258017155.db2.gz PSMLSMYAUMKCMI-QGZVFWFLSA-N 1 1 332.463 3.505 50 30 EHEAMO C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000252491326 563997786 /nfs/dbraw/zinc/99/77/86/563997786.db2.gz LMIPLPGKECCNOY-CMPLNLGQSA-N 1 1 326.227 3.556 50 30 EHEAMO C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000252491326 563997787 /nfs/dbraw/zinc/99/77/87/563997787.db2.gz LMIPLPGKECCNOY-CMPLNLGQSA-N 1 1 326.227 3.556 50 30 EHEAMO Fc1cccc(Cl)c1C=NN1CC[NH+](Cc2ccccc2)CC1 ZINC000244875007 564075059 /nfs/dbraw/zinc/07/50/59/564075059.db2.gz XKYIQJRBGVWJGF-UHFFFAOYSA-N 1 1 331.822 3.631 50 30 EHEAMO N#Cc1c2c(sc1NC(=O)C[N@@H+]1CC[C@@H]3CCCC[C@H]3C1)CCC2 ZINC000008132903 564163090 /nfs/dbraw/zinc/16/30/90/564163090.db2.gz PONCICRLDOWJID-KBPBESRZSA-N 1 1 343.496 3.559 50 30 EHEAMO N#Cc1c2c(sc1NC(=O)C[N@H+]1CC[C@@H]3CCCC[C@H]3C1)CCC2 ZINC000008132903 564163091 /nfs/dbraw/zinc/16/30/91/564163091.db2.gz PONCICRLDOWJID-KBPBESRZSA-N 1 1 343.496 3.559 50 30 EHEAMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)C2CCCC2)c1C#N ZINC000198505255 1024382219 /nfs/dbraw/zinc/38/22/19/1024382219.db2.gz FHKUNSNQSYWVCV-UHFFFAOYSA-N 1 1 342.487 3.905 50 30 EHEAMO C=C(C)COc1cccc(C[NH2+][C@@H](CC(C)C)c2ncnn2C)c1 ZINC000055166328 214281733 /nfs/dbraw/zinc/28/17/33/214281733.db2.gz SUKOUALYIKZTLT-SFHVURJKSA-N 1 1 328.460 3.647 50 30 EHEAMO Cc1ccc(C[NH+]2CCN(/N=C\c3ccc(Cl)cc3)CC2)cc1 ZINC000019773082 212063828 /nfs/dbraw/zinc/06/38/28/212063828.db2.gz KVFMKQZHMDBQPJ-STZFKDTASA-N 1 1 327.859 3.800 50 30 EHEAMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000095349225 218284126 /nfs/dbraw/zinc/28/41/26/218284126.db2.gz SZYVQCGKZLOJPQ-QGZVFWFLSA-N 1 1 349.478 3.846 50 30 EHEAMO C=CCC[C@@H](C[N@@H+](C)Cc1cccnc1)Oc1cc(C)nc(CC)n1 ZINC000067713870 258011532 /nfs/dbraw/zinc/01/15/32/258011532.db2.gz JAXWORCKKMOFSL-SFHVURJKSA-N 1 1 340.471 3.588 50 30 EHEAMO C=CCCC(=O)N1CCC([C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000014956460 518693189 /nfs/dbraw/zinc/69/31/89/518693189.db2.gz LOXOTHZIHSYCEX-OAQYLSRUSA-N 1 1 340.511 3.756 50 30 EHEAMO CC(C)c1ccc(C[N@H+](C)CC(=O)NC2(C#N)CCCCCC2)cc1 ZINC000030959442 519835806 /nfs/dbraw/zinc/83/58/06/519835806.db2.gz ZFZUDNKOGVFVKN-UHFFFAOYSA-N 1 1 341.499 3.975 50 30 EHEAMO CC(C)c1ccc(C[N@@H+](C)CC(=O)NC2(C#N)CCCCCC2)cc1 ZINC000030959442 519835807 /nfs/dbraw/zinc/83/58/07/519835807.db2.gz ZFZUDNKOGVFVKN-UHFFFAOYSA-N 1 1 341.499 3.975 50 30 EHEAMO C[N@@H+](CC(=O)Nc1sccc1C#N)CC12CC3CC(CC(C3)C1)C2 ZINC000014183111 563983389 /nfs/dbraw/zinc/98/33/89/563983389.db2.gz HXSQPMSQFCNFSH-UHFFFAOYSA-N 1 1 343.496 3.706 50 30 EHEAMO CC(C)c1ccc(C#N)c(N[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000534633609 563996676 /nfs/dbraw/zinc/99/66/76/563996676.db2.gz NNQSTKMKFFPUPF-GOSISDBHSA-N 1 1 335.455 3.548 50 30 EHEAMO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(C#N)cc1Br ZINC000097109852 564149447 /nfs/dbraw/zinc/14/94/47/564149447.db2.gz XLHVMCLADOEPRJ-VIFPVBQESA-N 1 1 334.217 3.776 50 30 EHEAMO N#Cc1ccsc1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000058160546 564157799 /nfs/dbraw/zinc/15/77/99/564157799.db2.gz WVEDWAGSZATNJY-UHFFFAOYSA-N 1 1 347.443 3.937 50 30 EHEAMO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cccc(Cl)c1 ZINC000069286869 564168745 /nfs/dbraw/zinc/16/87/45/564168745.db2.gz PZFUGSITVCQVBB-UHFFFAOYSA-N 1 1 341.842 3.719 50 30 EHEAMO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cccc(Cl)c1 ZINC000069286869 564168746 /nfs/dbraw/zinc/16/87/46/564168746.db2.gz PZFUGSITVCQVBB-UHFFFAOYSA-N 1 1 341.842 3.719 50 30 EHEAMO OCC#Cc1csc(C[N@H+]2CCCC[C@H]2c2cccc(F)c2)c1 ZINC000828644566 1131442759 /nfs/dbraw/zinc/44/27/59/1131442759.db2.gz FMPTWLGRIQTJFO-IBGZPJMESA-N 1 1 329.440 3.958 50 30 EHEAMO CC(C)[N@@H+]1CCc2c(C#N)c(NC(=O)Cc3ccccc3)sc2C1 ZINC000004086989 210116138 /nfs/dbraw/zinc/11/61/38/210116138.db2.gz XPPSPPGPBCNVCL-UHFFFAOYSA-N 1 1 339.464 3.567 50 30 EHEAMO CC(C)[N@H+]1CCc2c(C#N)c(NC(=O)Cc3ccccc3)sc2C1 ZINC000004086989 210116139 /nfs/dbraw/zinc/11/61/39/210116139.db2.gz XPPSPPGPBCNVCL-UHFFFAOYSA-N 1 1 339.464 3.567 50 30 EHEAMO C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(N)c(C#N)c(-c3ccc(F)cc3Cl)c12 ZINC000067755999 215205021 /nfs/dbraw/zinc/20/50/21/215205021.db2.gz PRFRLCXBYZPQBS-ZUZCIYMTSA-N 1 1 342.805 3.686 50 30 EHEAMO C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(N)c(C#N)c(-c3ccc(F)cc3Cl)c12 ZINC000067755999 215205023 /nfs/dbraw/zinc/20/50/23/215205023.db2.gz PRFRLCXBYZPQBS-ZUZCIYMTSA-N 1 1 342.805 3.686 50 30 EHEAMO Cc1ccc(C(=O)ONC(=[NH2+])c2ccc(Br)cc2)c(C)c1 ZINC000005059495 210378943 /nfs/dbraw/zinc/37/89/43/210378943.db2.gz ZXJQXCBFMVSPSG-UHFFFAOYSA-N 1 1 347.212 3.543 50 30 EHEAMO C=CCCC(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000012207714 258018066 /nfs/dbraw/zinc/01/80/66/258018066.db2.gz PSMLSMYAUMKCMI-KRWDZBQOSA-N 1 1 332.463 3.505 50 30 EHEAMO C=CCOc1ccc(C[N@@H+](C)CC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000008037724 258018112 /nfs/dbraw/zinc/01/81/12/258018112.db2.gz WBSFJZQAUNDOCN-KRWDZBQOSA-N 1 1 338.451 3.561 50 30 EHEAMO C=CCOc1ccc(C[N@H+](C)CC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000008037724 258018113 /nfs/dbraw/zinc/01/81/13/258018113.db2.gz WBSFJZQAUNDOCN-KRWDZBQOSA-N 1 1 338.451 3.561 50 30 EHEAMO C=CCN(C(=O)C[NH+]1CCCCC1)c1nc(-c2ccccc2)cs1 ZINC000003310838 518732248 /nfs/dbraw/zinc/73/22/48/518732248.db2.gz NVDCYBFCTLCDPW-UHFFFAOYSA-N 1 1 341.480 3.815 50 30 EHEAMO C=CC[N@H+](Cc1cccc(OC)c1)Cc1cc2c(c(OC)c1)OCO2 ZINC000055568866 518784224 /nfs/dbraw/zinc/78/42/24/518784224.db2.gz AVVYWFWTHCDGCV-UHFFFAOYSA-N 1 1 341.407 3.621 50 30 EHEAMO Cc1ccc(C(=[NH2+])NOC(=O)c2ccc(C(C)(C)C)cc2)cc1F ZINC000008536250 563631917 /nfs/dbraw/zinc/63/19/17/563631917.db2.gz CDEMQMGQGQBASC-UHFFFAOYSA-N 1 1 328.387 3.909 50 30 EHEAMO COc1cccc(/C(C)=N/N2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000025329319 563883218 /nfs/dbraw/zinc/88/32/18/563883218.db2.gz COQZFDSUTKVCBE-RELWKKBWSA-N 1 1 337.467 3.545 50 30 EHEAMO C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000252491428 563997789 /nfs/dbraw/zinc/99/77/89/563997789.db2.gz LMIPLPGKECCNOY-PWSUYJOCSA-N 1 1 326.227 3.556 50 30 EHEAMO C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000252491428 563997790 /nfs/dbraw/zinc/99/77/90/563997790.db2.gz LMIPLPGKECCNOY-PWSUYJOCSA-N 1 1 326.227 3.556 50 30 EHEAMO O=C1Nc2ccc3c4ccccc4oc3c2C1=NNc1cc[nH+]cc1 ZINC000005590206 564006048 /nfs/dbraw/zinc/00/60/48/564006048.db2.gz MOPDJAFDQOXVKK-UHFFFAOYSA-N 1 1 328.331 3.749 50 30 EHEAMO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1c1ccsc1)c1ccccc1 ZINC000046089324 564029552 /nfs/dbraw/zinc/02/95/52/564029552.db2.gz YQBITHXWBDFQKJ-SFHVURJKSA-N 1 1 339.464 3.832 50 30 EHEAMO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1c1ccsc1)c1ccccc1 ZINC000046089324 564029553 /nfs/dbraw/zinc/02/95/53/564029553.db2.gz YQBITHXWBDFQKJ-SFHVURJKSA-N 1 1 339.464 3.832 50 30 EHEAMO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(C#CC(C)(C)O)s1 ZINC000065488125 564066853 /nfs/dbraw/zinc/06/68/53/564066853.db2.gz GLPFBIXRCZMTNO-KRWDZBQOSA-N 1 1 344.480 3.812 50 30 EHEAMO N#Cc1cccnc1N1CCC[N@H+]([C@H]2CCCc3ccccc32)CC1 ZINC000064634806 564094578 /nfs/dbraw/zinc/09/45/78/564094578.db2.gz UPRGMQOUOXPHGB-FQEVSTJZSA-N 1 1 332.451 3.543 50 30 EHEAMO CC(C)c1ccc(C[N@H+](CC(=O)NC2(C#N)CCCC2)C2CC2)cc1 ZINC000007797763 564123460 /nfs/dbraw/zinc/12/34/60/564123460.db2.gz FNGFNCGILFARHL-UHFFFAOYSA-N 1 1 339.483 3.727 50 30 EHEAMO CC(C)c1ccc(C[N@@H+](CC(=O)NC2(C#N)CCCC2)C2CC2)cc1 ZINC000007797763 564123461 /nfs/dbraw/zinc/12/34/61/564123461.db2.gz FNGFNCGILFARHL-UHFFFAOYSA-N 1 1 339.483 3.727 50 30 EHEAMO N#Cc1ccc(OC2CC[NH+](Cc3ccncc3Cl)CC2)cc1 ZINC000096445713 564148179 /nfs/dbraw/zinc/14/81/79/564148179.db2.gz YQXZMAJKEPHMAX-UHFFFAOYSA-N 1 1 327.815 3.650 50 30 EHEAMO CN(C(=O)C[N@H+]1CCC[C@H]1c1ccccc1)C1(C#N)CCCCC1 ZINC000008735122 564167126 /nfs/dbraw/zinc/16/71/26/564167126.db2.gz DVKOCPHAVKGXPU-SFHVURJKSA-N 1 1 325.456 3.508 50 30 EHEAMO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)[nH]1 ZINC000329432452 1039671003 /nfs/dbraw/zinc/67/10/03/1039671003.db2.gz KPBBQIVUOKHPGT-NVXWUHKLSA-N 1 1 348.397 3.525 50 30 EHEAMO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)[nH]1 ZINC000329432452 1039671010 /nfs/dbraw/zinc/67/10/10/1039671010.db2.gz KPBBQIVUOKHPGT-NVXWUHKLSA-N 1 1 348.397 3.525 50 30 EHEAMO C[C@@](O)(C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1)CCc1ccccc1 ZINC000055236058 214292795 /nfs/dbraw/zinc/29/27/95/214292795.db2.gz ZWXAFZKAAAQSKI-DHIUTWEWSA-N 1 1 348.490 3.996 50 30 biogenic EHEAMO C[C@@](O)(C#CC[N@H+]1CCCC[C@@H]1c1cccnc1)CCc1ccccc1 ZINC000055236058 214292798 /nfs/dbraw/zinc/29/27/98/214292798.db2.gz ZWXAFZKAAAQSKI-DHIUTWEWSA-N 1 1 348.490 3.996 50 30 biogenic EHEAMO [NH2+]=C(NOC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 ZINC000004523750 210214019 /nfs/dbraw/zinc/21/40/19/210214019.db2.gz AQMDPFLAGFGLMK-UHFFFAOYSA-N 1 1 332.831 3.720 50 30 EHEAMO CCn1cc(C[N@H+]2CCC[C@H](c3nc4c(cccc4C)[nH]3)C2)cc1C#N ZINC000072131813 216021177 /nfs/dbraw/zinc/02/11/77/216021177.db2.gz JANOFNNPHMXEAR-KRWDZBQOSA-N 1 1 347.466 3.944 50 30 EHEAMO CCn1cc(C[N@@H+]2CCC[C@H](c3nc4cccc(C)c4[nH]3)C2)cc1C#N ZINC000072131813 216021180 /nfs/dbraw/zinc/02/11/80/216021180.db2.gz JANOFNNPHMXEAR-KRWDZBQOSA-N 1 1 347.466 3.944 50 30 EHEAMO CCn1cc(C[N@H+]2CCC[C@H](c3nc4cccc(C)c4[nH]3)C2)cc1C#N ZINC000072131813 216021184 /nfs/dbraw/zinc/02/11/84/216021184.db2.gz JANOFNNPHMXEAR-KRWDZBQOSA-N 1 1 347.466 3.944 50 30 EHEAMO CCC[C@H](C)N1CC2(CC[NH+](Cc3ccccc3C#N)CC2)OC1=O ZINC000072439469 216234352 /nfs/dbraw/zinc/23/43/52/216234352.db2.gz YRMZZMOZAXPDAO-INIZCTEOSA-N 1 1 341.455 3.534 50 30 EHEAMO C=CCN(Cc1ccccc1Cl)C(=O)CCn1cc[nH+]c1CC ZINC000055036783 258014962 /nfs/dbraw/zinc/01/49/62/258014962.db2.gz WGGVAXOCULOTOZ-UHFFFAOYSA-N 1 1 331.847 3.704 50 30 EHEAMO C=C(C)COc1ccccc1C[NH2+]CCc1n[nH]c2c1CCCC2 ZINC000055414148 518620424 /nfs/dbraw/zinc/62/04/24/518620424.db2.gz OSSUWIKFSMOMNO-UHFFFAOYSA-N 1 1 325.456 3.576 50 30 EHEAMO Cc1cc(C)c(C)c(OCC(=O)ONC(=[NH2+])c2ccc(Cl)cc2)c1 ZINC000004906474 524247412 /nfs/dbraw/zinc/24/74/12/524247412.db2.gz NRXBVTWZJSJDDZ-UHFFFAOYSA-N 1 1 346.814 3.508 50 30 EHEAMO CC1(C)Cc2ccccc2C(N[NH+]=C2NC(C)(C)Cc3ccccc32)=N1 ZINC000017968287 563846702 /nfs/dbraw/zinc/84/67/02/563846702.db2.gz MBAUCDCSFFBSLR-UHFFFAOYSA-N 1 1 346.478 3.644 50 30 EHEAMO CC(C)[C@](C)(C#N)NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000060383105 563954671 /nfs/dbraw/zinc/95/46/71/563954671.db2.gz JNAZDWCIBNIDMP-QFIPXVFZSA-N 1 1 349.478 3.743 50 30 EHEAMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000007417800 564108164 /nfs/dbraw/zinc/10/81/64/564108164.db2.gz WGMKQXMEAFFFKV-INIZCTEOSA-N 1 1 331.419 3.675 50 30 EHEAMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000007417800 564108165 /nfs/dbraw/zinc/10/81/65/564108165.db2.gz WGMKQXMEAFFFKV-INIZCTEOSA-N 1 1 331.419 3.675 50 30 EHEAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000330298994 564138348 /nfs/dbraw/zinc/13/83/48/564138348.db2.gz LZGNKFFSDWJMCH-FGTMMUONSA-N 1 1 338.455 3.553 50 30 EHEAMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000110588170 568417597 /nfs/dbraw/zinc/41/75/97/568417597.db2.gz CNTLSAOBWXSAMI-LSDHHAIUSA-N 1 1 348.516 3.933 50 30 EHEAMO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000186521516 1131693201 /nfs/dbraw/zinc/69/32/01/1131693201.db2.gz ISJMXBYFGASNFE-OAHLLOKOSA-N 1 1 346.434 3.599 50 30 EHEAMO Cc1c[nH+]c(CCNC(=O)c2cccc(C#N)c2)n1C1CCCCC1 ZINC000581816066 1132372180 /nfs/dbraw/zinc/37/21/80/1132372180.db2.gz WQPBHICGTDJYAB-UHFFFAOYSA-N 1 1 336.439 3.541 50 30 EHEAMO C[C@@H](CC#N)[NH+]1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000072232577 216073408 /nfs/dbraw/zinc/07/34/08/216073408.db2.gz VQRMRORPNVHYSB-LBPRGKRZSA-N 1 1 330.382 3.836 50 30 EHEAMO N#Cc1ccc(NC(=O)CCC[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000244678812 243057331 /nfs/dbraw/zinc/05/73/31/243057331.db2.gz IKUHAWQCIBMQMD-LJQANCHMSA-N 1 1 334.423 3.509 50 30 EHEAMO Cc1ccc(C(=O)ONC(=[NH2+])c2cccc(Br)c2)cc1C ZINC000008575265 257951341 /nfs/dbraw/zinc/95/13/41/257951341.db2.gz KPYBPWMKCZSREN-UHFFFAOYSA-N 1 1 347.212 3.543 50 30 EHEAMO C=CCn1cc(C[NH2+][C@@H](c2ccncc2)c2ccc(C)cc2)c(C)n1 ZINC000055060939 258014524 /nfs/dbraw/zinc/01/45/24/258014524.db2.gz DVQBZZOCWFLEKU-OAQYLSRUSA-N 1 1 332.451 3.960 50 30 EHEAMO C=CCCC(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccccc2C)C1 ZINC000012836432 258017373 /nfs/dbraw/zinc/01/73/73/258017373.db2.gz PBJPHBFTVWLOJN-IBGZPJMESA-N 1 1 328.500 3.674 50 30 EHEAMO Cc1nc(C[NH+]2CCC(CNc3cccc(F)c3C#N)CC2)oc1C ZINC000071894598 258064135 /nfs/dbraw/zinc/06/41/35/258064135.db2.gz TXKRPGMSBHOMDT-UHFFFAOYSA-N 1 1 342.418 3.626 50 30 EHEAMO C=CCn1cc(C[N@@H+](C)[C@@H](C)c2ccc(OC)cc2OC)c(C)n1 ZINC000055132038 519278343 /nfs/dbraw/zinc/27/83/43/519278343.db2.gz SDWFXJBYLWRVLD-HNNXBMFYSA-N 1 1 329.444 3.588 50 30 EHEAMO C=CCn1cc(C[N@H+](C)[C@@H](C)c2ccc(OC)cc2OC)c(C)n1 ZINC000055132038 519278346 /nfs/dbraw/zinc/27/83/46/519278346.db2.gz SDWFXJBYLWRVLD-HNNXBMFYSA-N 1 1 329.444 3.588 50 30 EHEAMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1ccc(Br)c(C)c1 ZINC000002764927 564033574 /nfs/dbraw/zinc/03/35/74/564033574.db2.gz BYUZHTVXJFKGBI-UHFFFAOYSA-N 1 1 339.277 3.984 50 30 EHEAMO C=C(C)C[N@H+](CC)Cc1c(C(=O)N(C)CCCC)nc2ccccn21 ZINC000013595368 564073900 /nfs/dbraw/zinc/07/39/00/564073900.db2.gz QJGMTSPRUUXMOB-UHFFFAOYSA-N 1 1 342.487 3.604 50 30 EHEAMO C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1ccc(C#N)cc1 ZINC000007003223 564103029 /nfs/dbraw/zinc/10/30/29/564103029.db2.gz HLRSEDLFLWEAEA-MRXNPFEDSA-N 1 1 348.450 3.988 50 30 EHEAMO Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000008745094 564134080 /nfs/dbraw/zinc/13/40/80/564134080.db2.gz LRZAJFBZMCUEBJ-UHFFFAOYSA-N 1 1 348.450 3.607 50 30 EHEAMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000012998600 564135814 /nfs/dbraw/zinc/13/58/14/564135814.db2.gz SLDRHQBKSDJXRB-GOSISDBHSA-N 1 1 338.382 3.806 50 30 EHEAMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000012998600 564135815 /nfs/dbraw/zinc/13/58/15/564135815.db2.gz SLDRHQBKSDJXRB-GOSISDBHSA-N 1 1 338.382 3.806 50 30 EHEAMO C=CCCc1ccccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000328589400 564136643 /nfs/dbraw/zinc/13/66/43/564136643.db2.gz IJLOWKLSGULGLK-PKOBYXMFSA-N 1 1 327.472 3.767 50 30 EHEAMO N#CC1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000095995496 564144243 /nfs/dbraw/zinc/14/42/43/564144243.db2.gz FZQJBFFMFPMZNX-UHFFFAOYSA-N 1 1 330.229 3.733 50 30 EHEAMO