smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(C)c(-c2nn[nH]n2)c1 ZINC001573293702 946965234 /nfs/dbraw/zinc/96/52/34/946965234.db2.gz GZZTUXYDMLETCP-UHFFFAOYSA-N 1 1 333.439 3.753 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H](CC)CSC ZINC000537996315 1032085713 /nfs/dbraw/zinc/08/57/13/1032085713.db2.gz QOTRICSKASDQJG-CQSZACIVSA-N 1 1 338.542 3.977 20 30 EHEDMO C=C(C)[C@@H](CC(=O)Nc1ccccc1C[NH+]1CCSCC1)OCC ZINC000339398495 1014336917 /nfs/dbraw/zinc/33/69/17/1014336917.db2.gz XBWPQLBAIMKASU-GOSISDBHSA-N 1 1 348.512 3.545 20 30 EHEDMO C=CC[C@@H](C(=O)OC)[NH+]1CCC(Oc2ccc(C(C)C)cc2)CC1 ZINC001167049957 1014416103 /nfs/dbraw/zinc/41/61/03/1014416103.db2.gz ULXBVQVDUDGGSX-IBGZPJMESA-N 1 1 331.456 3.771 20 30 EHEDMO Cc1cc2[nH]c(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)cc2c(C)c1 ZINC000430180479 1014614089 /nfs/dbraw/zinc/61/40/89/1014614089.db2.gz SSSNUPNSGSYZEK-SFHVURJKSA-N 1 1 346.434 3.705 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2nc(-c3ccccc3)oc2C)no1 ZINC000904531662 1032101533 /nfs/dbraw/zinc/10/15/33/1032101533.db2.gz UDXWAYPIGWVFLP-HNNXBMFYSA-N 1 1 338.411 3.980 20 30 EHEDMO Cn1cc(C[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)cc1C#N ZINC000430195517 1014790436 /nfs/dbraw/zinc/79/04/36/1014790436.db2.gz JAEDYNCWJCBQSS-KRWDZBQOSA-N 1 1 331.872 3.917 20 30 EHEDMO C=CCN(CC=C)C(=O)C[N@@H+](C1CC1)C1CC(c2ccccc2C)C1 ZINC000607747006 1014882336 /nfs/dbraw/zinc/88/23/36/1014882336.db2.gz ABCXSGYXKLIWIW-UHFFFAOYSA-N 1 1 338.495 3.906 20 30 EHEDMO N#Cc1ccc(C[NH2+][C@@H]2CSCc3ccc(Br)cc32)o1 ZINC000594978132 1033581658 /nfs/dbraw/zinc/58/16/58/1033581658.db2.gz YMSCVBVNGMVGMT-OAHLLOKOSA-N 1 1 349.253 3.991 20 30 EHEDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000430213710 1015031512 /nfs/dbraw/zinc/03/15/12/1015031512.db2.gz VBDFBIZHJVGKDH-UHFFFAOYSA-N 1 1 339.395 3.886 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000127086181 1015343582 /nfs/dbraw/zinc/34/35/82/1015343582.db2.gz QBMAPYCQPPEHJV-QGZVFWFLSA-N 1 1 335.451 3.507 20 30 EHEDMO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)nnn1-c1ccc(F)cc1 ZINC000154334712 1015380442 /nfs/dbraw/zinc/38/04/42/1015380442.db2.gz LVPOWXLVWGMNJD-ZIAGYGMSSA-N 1 1 349.413 3.998 20 30 EHEDMO Cc1nsc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1C#N ZINC000342822938 1015425069 /nfs/dbraw/zinc/42/50/69/1015425069.db2.gz GGSZCSSAPIRTRH-CXAGYDPISA-N 1 1 326.469 3.646 20 30 EHEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC(C)=C[C@H](C)C2)ccc1Cl ZINC000430270419 1015620416 /nfs/dbraw/zinc/62/04/16/1015620416.db2.gz RSUIITISMNUSNN-AWEZNQCLSA-N 1 1 345.874 3.793 20 30 EHEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC(C)=C[C@H](C)C2)ccc1Cl ZINC000430270419 1015620420 /nfs/dbraw/zinc/62/04/20/1015620420.db2.gz RSUIITISMNUSNN-AWEZNQCLSA-N 1 1 345.874 3.793 20 30 EHEDMO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000343741240 1032134434 /nfs/dbraw/zinc/13/44/34/1032134434.db2.gz ADCPUJRBODBEPJ-GFCCVEGCSA-N 1 1 328.382 3.558 20 30 EHEDMO N#CCCN(Cc1ccc(Cl)cc1)c1cc(-n2ccnc2)cc[nH+]1 ZINC001167138294 1016272224 /nfs/dbraw/zinc/27/22/24/1016272224.db2.gz WJZKTXNGLFPSQH-UHFFFAOYSA-N 1 1 337.814 3.841 20 30 EHEDMO C[N@@H+](CCc1ccc(C#N)cc1)Cc1cccc(Br)c1 ZINC001167138803 1016279830 /nfs/dbraw/zinc/27/98/30/1016279830.db2.gz PRFVJMIHPYIQOV-UHFFFAOYSA-N 1 1 329.241 3.995 20 30 EHEDMO C=CCCCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CC(=O)N2c1cnn(C)c1 ZINC001209444319 1016302187 /nfs/dbraw/zinc/30/21/87/1016302187.db2.gz PGUGWJDLJHYUMY-RTBURBONSA-N 1 1 344.503 3.516 20 30 EHEDMO COc1ccc(C[NH2+][C@@H](C)c2nccn2-c2ccccc2)cc1C#N ZINC000376607602 1016847885 /nfs/dbraw/zinc/84/78/85/1016847885.db2.gz ZFCPBHIZGQJNRX-HNNXBMFYSA-N 1 1 332.407 3.603 20 30 EHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000459517838 1032226642 /nfs/dbraw/zinc/22/66/42/1032226642.db2.gz RTTGJXBCYQXPIX-INIZCTEOSA-N 1 1 337.379 3.510 20 30 EHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000459517838 1032226655 /nfs/dbraw/zinc/22/66/55/1032226655.db2.gz RTTGJXBCYQXPIX-INIZCTEOSA-N 1 1 337.379 3.510 20 30 EHEDMO COc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c(Br)cn1 ZINC000598599746 1033323207 /nfs/dbraw/zinc/32/32/07/1033323207.db2.gz DFPWASKILUDGJT-LLVKDONJSA-N 1 1 346.228 3.575 20 30 EHEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459688849 1032416705 /nfs/dbraw/zinc/41/67/05/1032416705.db2.gz ZARAFHVVJVFZRD-PMACEKPBSA-N 1 1 330.435 3.974 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(Oc3cccc(F)c3)CC2)cc1F ZINC000528571165 1032473394 /nfs/dbraw/zinc/47/33/94/1032473394.db2.gz KFQWODUEODKBIP-UHFFFAOYSA-N 1 1 328.362 3.880 20 30 EHEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000449386238 1032512069 /nfs/dbraw/zinc/51/20/69/1032512069.db2.gz HURXDPINKIKHNK-JXXFODFXSA-N 1 1 330.435 3.972 20 30 EHEDMO C=CCOc1ccccc1C[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449427085 1032544436 /nfs/dbraw/zinc/54/44/36/1032544436.db2.gz RVPZXMWQWYTRRQ-PZJWPPBQSA-N 1 1 341.426 3.551 20 30 EHEDMO N#CCCCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000449451071 1032568036 /nfs/dbraw/zinc/56/80/36/1032568036.db2.gz HQVYKGZQOZUFNJ-NJDAHSKKSA-N 1 1 342.483 3.885 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc(OC)c1O ZINC000449458842 1032576251 /nfs/dbraw/zinc/57/62/51/1032576251.db2.gz WWRUTDNTVQULFJ-OTWHNJEPSA-N 1 1 345.483 3.645 20 30 EHEDMO N#Cc1cc(C[NH2+]C2(c3ccccc3Br)CCC2)ccn1 ZINC000593041264 1032679272 /nfs/dbraw/zinc/67/92/72/1032679272.db2.gz YRKDOYZHMHHSCE-UHFFFAOYSA-N 1 1 342.240 3.885 20 30 EHEDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)cc1C#N ZINC000549173512 1017493654 /nfs/dbraw/zinc/49/36/54/1017493654.db2.gz RNRZRGABTXSVTN-UHFFFAOYSA-N 1 1 329.787 3.794 20 30 EHEDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)cc1C#N ZINC000549173512 1017493658 /nfs/dbraw/zinc/49/36/58/1017493658.db2.gz RNRZRGABTXSVTN-UHFFFAOYSA-N 1 1 329.787 3.794 20 30 EHEDMO C#CCOc1ccc(C[NH2+][C@H](C)c2nccn2-c2ccccc2)cc1 ZINC000377406523 1017759402 /nfs/dbraw/zinc/75/94/02/1017759402.db2.gz AROVJTOIQVQVHJ-QGZVFWFLSA-N 1 1 331.419 3.735 20 30 EHEDMO Cn1cc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000449542926 1032730042 /nfs/dbraw/zinc/73/00/42/1032730042.db2.gz RQIYJHXNMLURLC-PZJWPPBQSA-N 1 1 332.451 3.579 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)cc2c1OCOC2 ZINC000048565554 1017970264 /nfs/dbraw/zinc/97/02/64/1017970264.db2.gz INCKTYLQKQDIDL-UHFFFAOYSA-N 1 1 340.398 3.976 20 30 EHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000275702116 1018203108 /nfs/dbraw/zinc/20/31/08/1018203108.db2.gz QRFHWGOSCWEHQW-RLFYNMQTSA-N 1 1 343.471 3.854 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000025424162 1018347808 /nfs/dbraw/zinc/34/78/08/1018347808.db2.gz QBOMIIUXWHFXDP-CZUORRHYSA-N 1 1 325.437 3.784 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000025424162 1018347819 /nfs/dbraw/zinc/34/78/19/1018347819.db2.gz QBOMIIUXWHFXDP-CZUORRHYSA-N 1 1 325.437 3.784 20 30 EHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597923229 1032771759 /nfs/dbraw/zinc/77/17/59/1032771759.db2.gz NGSXSDIXCQKZEW-AWEZNQCLSA-N 1 1 341.480 3.684 20 30 EHEDMO C=C[C@H]1CCCCN1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000683826907 1018725053 /nfs/dbraw/zinc/72/50/53/1018725053.db2.gz XUZSNLQCJFYTDB-UXHICEINSA-N 1 1 341.499 3.649 20 30 EHEDMO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000015548232 1018758572 /nfs/dbraw/zinc/75/85/72/1018758572.db2.gz KNTWUVVGNJMVKS-FQEVSTJZSA-N 1 1 349.434 3.733 20 30 EHEDMO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000015548232 1018758583 /nfs/dbraw/zinc/75/85/83/1018758583.db2.gz KNTWUVVGNJMVKS-FQEVSTJZSA-N 1 1 349.434 3.733 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419369201 1018926558 /nfs/dbraw/zinc/92/65/58/1018926558.db2.gz HGRUGVDTUIUQDS-JJXSEGSLSA-N 1 1 345.512 3.996 20 30 EHEDMO C=CCCCCCNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000580325715 1019041516 /nfs/dbraw/zinc/04/15/16/1019041516.db2.gz WQDHBTPFDKHGEZ-KRWDZBQOSA-N 1 1 345.487 3.948 20 30 EHEDMO CCc1ccc([C@@H]2CCC[N@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C2)cc1 ZINC000513371654 1019590448 /nfs/dbraw/zinc/59/04/48/1019590448.db2.gz PNJJAMKNKMFJOQ-RTWAWAEBSA-N 1 1 347.462 3.527 20 30 EHEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H](CC(N)=O)c1ccccc1 ZINC000280340625 1020320427 /nfs/dbraw/zinc/32/04/27/1020320427.db2.gz IJCTWVHGPDZBGH-LJQANCHMSA-N 1 1 335.451 3.536 20 30 EHEDMO CC[N@@H+](Cc1cnc(CCOC)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602444153 1032892825 /nfs/dbraw/zinc/89/28/25/1032892825.db2.gz MORVDEGTBKTBJU-AWEZNQCLSA-N 1 1 329.469 3.787 20 30 EHEDMO CC[N@@H+](Cc1cc(C(=O)OC)c(C)[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000602446065 1032893220 /nfs/dbraw/zinc/89/32/20/1032893220.db2.gz ZYFXRYUSHIPLGQ-CQSZACIVSA-N 1 1 325.412 3.565 20 30 EHEDMO C[C@H](CCC#N)C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000602472310 1032906673 /nfs/dbraw/zinc/90/66/73/1032906673.db2.gz DUBNDDOGLVKFFV-TZIWHRDSSA-N 1 1 325.500 3.914 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000602472310 1032906688 /nfs/dbraw/zinc/90/66/88/1032906688.db2.gz DUBNDDOGLVKFFV-TZIWHRDSSA-N 1 1 325.500 3.914 20 30 EHEDMO C[C@@H]1COC[C@@H](c2ccccc2)[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000501018497 1020656350 /nfs/dbraw/zinc/65/63/50/1020656350.db2.gz FNPIJMOBTQWTIG-UTKZUKDTSA-N 1 1 336.435 3.789 20 30 EHEDMO C[C@@H]1COC[C@@H](c2ccccc2)[N@H+]1CCCOc1cccc(C#N)c1 ZINC000501018497 1020656354 /nfs/dbraw/zinc/65/63/54/1020656354.db2.gz FNPIJMOBTQWTIG-UTKZUKDTSA-N 1 1 336.435 3.789 20 30 EHEDMO C[C@H]1C[NH+](Cc2ccccc2NC2CCC(C#N)CC2)C[C@H](C)O1 ZINC000602490126 1032919189 /nfs/dbraw/zinc/91/91/89/1032919189.db2.gz CHYAKDFHXHKKPW-XNYRCJLNSA-N 1 1 327.472 3.790 20 30 EHEDMO COc1ccc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000135111488 1020775333 /nfs/dbraw/zinc/77/53/33/1020775333.db2.gz VNQUQJCXXOACBM-FQEVSTJZSA-N 1 1 349.478 3.521 20 30 EHEDMO C=CCn1cccc1C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000341077120 1020956818 /nfs/dbraw/zinc/95/68/18/1020956818.db2.gz IVCGOYAMSLKYGH-GOSISDBHSA-N 1 1 349.434 3.528 20 30 EHEDMO C[C@H](CCC#N)[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000276332850 1021047033 /nfs/dbraw/zinc/04/70/33/1021047033.db2.gz RFWIETQMALECMR-MRXNPFEDSA-N 1 1 340.496 3.620 20 30 EHEDMO N#CCC[C@H](C#N)C[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000581543838 1021070135 /nfs/dbraw/zinc/07/01/35/1021070135.db2.gz XLFIPZGSPIKOOQ-LJQANCHMSA-N 1 1 343.434 3.618 20 30 EHEDMO C=CCOc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1Cl ZINC000581575662 1021103316 /nfs/dbraw/zinc/10/33/16/1021103316.db2.gz ZYNMIRRNYRZPDE-WMZOPIPTSA-N 1 1 334.891 3.821 20 30 EHEDMO C=CCC[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000276370564 1021114106 /nfs/dbraw/zinc/11/41/06/1021114106.db2.gz GVEGPIJGLRXFGT-HNNXBMFYSA-N 1 1 343.452 3.527 20 30 EHEDMO CCCCCCCCCCCCC(=O)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2 ZINC001270768046 1021357553 /nfs/dbraw/zinc/35/75/53/1021357553.db2.gz SFHOUHICTHPWBR-KDURUIRLSA-N 1 1 338.536 3.839 20 30 EHEDMO CCCCCCCCCCCCC(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001270768046 1021357573 /nfs/dbraw/zinc/35/75/73/1021357573.db2.gz SFHOUHICTHPWBR-KDURUIRLSA-N 1 1 338.536 3.839 20 30 EHEDMO CCCCCCCCC(=O)N1C[C@@H]2OCC[N@H+](C3CCCC3)[C@H]2C1 ZINC001270163812 1021510278 /nfs/dbraw/zinc/51/02/78/1021510278.db2.gz JBTYWNVQXQEMMB-OALUTQOASA-N 1 1 336.520 3.591 20 30 EHEDMO CCCCCCCCC(=O)N1C[C@@H]2OCC[N@@H+](C3CCCC3)[C@H]2C1 ZINC001270163812 1021510296 /nfs/dbraw/zinc/51/02/96/1021510296.db2.gz JBTYWNVQXQEMMB-OALUTQOASA-N 1 1 336.520 3.591 20 30 EHEDMO C[N@@H+](CCOc1ccc(Cl)cc1)CCOc1ccc(C#N)cc1 ZINC000058829836 1032986583 /nfs/dbraw/zinc/98/65/83/1032986583.db2.gz NHICTFFBOHTZBB-UHFFFAOYSA-N 1 1 330.815 3.601 20 30 EHEDMO C#C[C@H]([NH2+]Cc1sc(C)nc1C)c1ccc(Br)cc1 ZINC000894871142 1021545899 /nfs/dbraw/zinc/54/58/99/1021545899.db2.gz RTADACCFQOUSEK-AWEZNQCLSA-N 1 1 335.270 3.987 20 30 EHEDMO CC1(C)CCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000477390272 1021588033 /nfs/dbraw/zinc/58/80/33/1021588033.db2.gz HZWIFXIMHRRMGJ-UHFFFAOYSA-N 1 1 331.485 3.702 20 30 EHEDMO CC1(C)CCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000477390272 1021588046 /nfs/dbraw/zinc/58/80/46/1021588046.db2.gz HZWIFXIMHRRMGJ-UHFFFAOYSA-N 1 1 331.485 3.702 20 30 EHEDMO C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CCC(C(C)(C)C)CC1 ZINC000519001633 1021753107 /nfs/dbraw/zinc/75/31/07/1021753107.db2.gz JHBQZDHFHHNKCD-CTWPCTMYSA-N 1 1 344.499 3.835 20 30 EHEDMO COc1ccc(C(=O)C2CC[NH+](Cc3csc(C#N)c3)CC2)cc1 ZINC000891547783 1021889256 /nfs/dbraw/zinc/88/92/56/1021889256.db2.gz LMVXEJDSSKFXHL-UHFFFAOYSA-N 1 1 340.448 3.723 20 30 EHEDMO N#CC1(NC(=O)C[N@H+]2CCCCC[C@H]2c2ccccc2)CCCCC1 ZINC000520043104 1021897603 /nfs/dbraw/zinc/89/76/03/1021897603.db2.gz ZWGCZWPMJGEXDL-IBGZPJMESA-N 1 1 339.483 3.946 20 30 EHEDMO COC(=O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](C)CCC#N ZINC000602624338 1033017097 /nfs/dbraw/zinc/01/70/97/1033017097.db2.gz MUTAZFNUJMNUOE-ZDUSSCGKSA-N 1 1 342.361 3.620 20 30 EHEDMO COC(=O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](C)CCC#N ZINC000602624338 1033017118 /nfs/dbraw/zinc/01/71/18/1033017118.db2.gz MUTAZFNUJMNUOE-ZDUSSCGKSA-N 1 1 342.361 3.620 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000520130185 1021953311 /nfs/dbraw/zinc/95/33/11/1021953311.db2.gz FPODYFFYWGWVKP-KRWDZBQOSA-N 1 1 340.442 3.734 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000520130185 1021953321 /nfs/dbraw/zinc/95/33/21/1021953321.db2.gz FPODYFFYWGWVKP-KRWDZBQOSA-N 1 1 340.442 3.734 20 30 EHEDMO CCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000520172726 1021985001 /nfs/dbraw/zinc/98/50/01/1021985001.db2.gz WJXGAOFHIOCZME-OAQYLSRUSA-N 1 1 347.462 3.574 20 30 EHEDMO NC(CCCc1ccccc1)=[NH+]OCc1nnc(-c2ccccc2)o1 ZINC000141245600 1022028396 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CC(C)(C)OC(=O)N1CCc2c(C[NH2+]CC(C)(C)C#N)cccc2C1 ZINC000894454001 1022297814 /nfs/dbraw/zinc/29/78/14/1022297814.db2.gz LPLKRFQXVWAZQO-UHFFFAOYSA-N 1 1 343.471 3.619 20 30 EHEDMO N#CC1(C[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)CCC1 ZINC000894967530 1022298055 /nfs/dbraw/zinc/29/80/55/1022298055.db2.gz URQGONTXAGNBJB-UHFFFAOYSA-N 1 1 336.208 3.853 20 30 EHEDMO N#CCCn1cc(C[NH2+]Cc2cnc(C3CC3)o2)c(-c2ccccc2)n1 ZINC000449696968 1033055062 /nfs/dbraw/zinc/05/50/62/1033055062.db2.gz JONGMCNICKJRQW-UHFFFAOYSA-N 1 1 347.422 3.619 20 30 EHEDMO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000328722826 1022463649 /nfs/dbraw/zinc/46/36/49/1022463649.db2.gz AFQTXUSQJIKHJA-FZCLSBEQSA-N 1 1 349.519 3.989 20 30 EHEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051322715 1022488587 /nfs/dbraw/zinc/48/85/87/1022488587.db2.gz MIVHNGPQSWFAGP-KRWDZBQOSA-N 1 1 334.341 3.742 20 30 EHEDMO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2ccc(CC#N)cc2)CC1 ZINC000517741517 1022612046 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C[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000383069007 1022733818 /nfs/dbraw/zinc/73/38/18/1022733818.db2.gz JQAVQSFCCFEHNV-IBGZPJMESA-N 1 1 349.478 3.533 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000517853167 1022756098 /nfs/dbraw/zinc/75/60/98/1022756098.db2.gz BRVQQTHHPULYDZ-QFIPXVFZSA-N 1 1 349.478 3.859 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000517853167 1022756111 /nfs/dbraw/zinc/75/61/11/1022756111.db2.gz BRVQQTHHPULYDZ-QFIPXVFZSA-N 1 1 349.478 3.859 20 30 EHEDMO COc1cccc(F)c1NC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000331282984 1022773670 /nfs/dbraw/zinc/77/36/70/1022773670.db2.gz JRJWNUNOELUSFY-AWEZNQCLSA-N 1 1 337.439 3.671 20 30 EHEDMO Cc1ccccc1[C@@H]1C[N@H+](CCOc2ccccc2C#N)[C@H](C)CO1 ZINC000441447548 1022870785 /nfs/dbraw/zinc/87/07/85/1022870785.db2.gz DPTSCYJYAFBJLY-UTKZUKDTSA-N 1 1 336.435 3.708 20 30 EHEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCOc2ccccc2C#N)[C@H](C)CO1 ZINC000441447548 1022870805 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CSc1cc2c(cc1C[N@@H+](C)Cc1cccc(C#N)c1)OCCO2 ZINC000507200930 1023177492 /nfs/dbraw/zinc/17/74/92/1023177492.db2.gz FJUNWAVOPNSXKS-UHFFFAOYSA-N 1 1 340.448 3.683 20 30 EHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CC#Cc2ccc(F)cc2)C1 ZINC000438999155 1023211859 /nfs/dbraw/zinc/21/18/59/1023211859.db2.gz JVRHJNZPNOEFAG-OTNPHJDUSA-N 1 1 329.459 3.829 20 30 EHEDMO C[C@H](CCC#N)C[N@@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000602728587 1033114674 /nfs/dbraw/zinc/11/46/74/1033114674.db2.gz BBNPDXQEYJYDRC-LLVKDONJSA-N 1 1 325.225 3.886 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000602728587 1033114681 /nfs/dbraw/zinc/11/46/81/1033114681.db2.gz BBNPDXQEYJYDRC-LLVKDONJSA-N 1 1 325.225 3.886 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000506475169 1023237088 /nfs/dbraw/zinc/23/70/88/1023237088.db2.gz SUOROFXKAQNTBF-ICSRJNTNSA-N 1 1 341.499 3.523 20 30 EHEDMO COc1cc2c(cc1OC)[C@@H]([N@H+]1CCc3c(CC#N)cccc3C1)CC2 ZINC000602729402 1033116782 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EHEDMO CC(C)N(C(=O)CCCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594053757 1033153523 /nfs/dbraw/zinc/15/35/23/1033153523.db2.gz ALDRJFNSYXBLBU-LJQANCHMSA-N 1 1 327.472 3.582 20 30 EHEDMO C=C1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000341993775 1023746830 /nfs/dbraw/zinc/74/68/30/1023746830.db2.gz MHSAQTUARYTCJP-SFHVURJKSA-N 1 1 325.456 3.591 20 30 EHEDMO Cc1c([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)nnn1-c1ccc(F)cc1 ZINC000610830533 1023779464 /nfs/dbraw/zinc/77/94/64/1023779464.db2.gz ZKVIFNRDXFYYGJ-KBPBESRZSA-N 1 1 349.413 3.998 20 30 EHEDMO CCCCC[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610860972 1023802998 /nfs/dbraw/zinc/80/29/98/1023802998.db2.gz WTOZNRBDSOIKDT-OALUTQOASA-N 1 1 330.472 3.537 20 30 EHEDMO CC[C@@H]1C[N@@H+](CC2(CC#N)CC2)[C@H](CC)CN1CC1(CC#N)CC1 ZINC000602796282 1033170071 /nfs/dbraw/zinc/17/00/71/1033170071.db2.gz XCLMOQDTGBCFGD-QZTJIDSGSA-N 1 1 328.504 3.549 20 30 EHEDMO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c(C(F)(F)F)c1 ZINC000895228318 1024001817 /nfs/dbraw/zinc/00/18/17/1024001817.db2.gz KLWFBXLZCHRWSJ-GFCCVEGCSA-N 1 1 340.345 3.618 20 30 EHEDMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(C(F)(F)F)c1 ZINC000895228318 1024001833 /nfs/dbraw/zinc/00/18/33/1024001833.db2.gz KLWFBXLZCHRWSJ-GFCCVEGCSA-N 1 1 340.345 3.618 20 30 EHEDMO CC#CC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000550500146 1024007715 /nfs/dbraw/zinc/00/77/15/1024007715.db2.gz NQYLDEWRJPQVGL-NEPJUHHUSA-N 1 1 327.255 3.514 20 30 EHEDMO CC#CC[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000550500146 1024007733 /nfs/dbraw/zinc/00/77/33/1024007733.db2.gz NQYLDEWRJPQVGL-NEPJUHHUSA-N 1 1 327.255 3.514 20 30 EHEDMO C#CCOc1ccc(C[NH2+]Cc2nnc(-c3ccccc3)s2)cc1 ZINC000151256706 1024075562 /nfs/dbraw/zinc/07/55/62/1024075562.db2.gz VLEOFIJAHNTGHS-UHFFFAOYSA-N 1 1 335.432 3.507 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCC1(C)C ZINC000170986328 1024174903 /nfs/dbraw/zinc/17/49/03/1024174903.db2.gz UGSNPLWNEUNWTK-CQSZACIVSA-N 1 1 331.485 3.894 20 30 EHEDMO C=CCOc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000181665853 1024180248 /nfs/dbraw/zinc/18/02/48/1024180248.db2.gz FJCHISMZHLWTPN-SJLPKXTDSA-N 1 1 342.483 3.634 20 30 EHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H]1CC[C@@H](SCC)C1 ZINC000441616385 1024209184 /nfs/dbraw/zinc/20/91/84/1024209184.db2.gz UCDWUNWYFHKBPX-GUDVDZBRSA-N 1 1 349.540 3.761 20 30 EHEDMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@H](C)C#N)cc1)C[C@H]1CCCCO1 ZINC000342159161 1024258454 /nfs/dbraw/zinc/25/84/54/1024258454.db2.gz SSJVDMQUNLUIAY-VQIMIIECSA-N 1 1 343.471 3.564 20 30 EHEDMO Cc1ccccc1-n1cc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cn1 ZINC000329959544 1024265393 /nfs/dbraw/zinc/26/53/93/1024265393.db2.gz QRAXMCVVXARURZ-GOSISDBHSA-N 1 1 338.455 3.502 20 30 EHEDMO CC(C)n1cc2cc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)ccc2n1 ZINC000330009083 1024285732 /nfs/dbraw/zinc/28/57/32/1024285732.db2.gz FZROXZVDOQWTIO-MSOLQXFVSA-N 1 1 341.459 3.570 20 30 EHEDMO Cc1noc(C)c1NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000330105679 1024322358 /nfs/dbraw/zinc/32/23/58/1024322358.db2.gz JTWRCZBUFYINRR-AWEZNQCLSA-N 1 1 348.491 3.813 20 30 EHEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000330221996 1024359942 /nfs/dbraw/zinc/35/99/42/1024359942.db2.gz RLHRIOABLSAJIH-OKYOBFRVSA-N 1 1 344.503 3.929 20 30 EHEDMO CCN(Cc1cc(C#N)cs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184802459 1024377779 /nfs/dbraw/zinc/37/77/79/1024377779.db2.gz MOQFKLBNIGXILZ-SFHVURJKSA-N 1 1 325.481 3.716 20 30 EHEDMO CC[N@H+](Cc1cc(C#N)cs1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000184802459 1024377796 /nfs/dbraw/zinc/37/77/96/1024377796.db2.gz MOQFKLBNIGXILZ-SFHVURJKSA-N 1 1 325.481 3.716 20 30 EHEDMO CC[N@@H+](Cc1cc(C#N)cs1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000184802459 1024377813 /nfs/dbraw/zinc/37/78/13/1024377813.db2.gz MOQFKLBNIGXILZ-SFHVURJKSA-N 1 1 325.481 3.716 20 30 EHEDMO O=C(N[C@H]1CCCC[C@@H]1O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000330264156 1024378702 /nfs/dbraw/zinc/37/87/02/1024378702.db2.gz XOFIFCKBZCJDCL-SZMVWBNQSA-N 1 1 345.487 3.753 20 30 EHEDMO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)c(Cl)c1 ZINC000026330421 1033209792 /nfs/dbraw/zinc/20/97/92/1033209792.db2.gz HYOKEQABBMRQBS-CQSZACIVSA-N 1 1 341.842 3.979 20 30 EHEDMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c(Cl)c1 ZINC000026330421 1033209806 /nfs/dbraw/zinc/20/98/06/1033209806.db2.gz HYOKEQABBMRQBS-CQSZACIVSA-N 1 1 341.842 3.979 20 30 EHEDMO C[C@@H]1C[N@H+](CCCSc2ccccc2Cl)C[C@H](C)N1CC#N ZINC000602858854 1033210516 /nfs/dbraw/zinc/21/05/16/1033210516.db2.gz VTNILNQTULRFGG-GASCZTMLSA-N 1 1 337.920 3.740 20 30 EHEDMO C[N@@H+](CCN(Cc1ccccc1)CC1(C#N)CC1)Cc1ccccc1 ZINC000343318859 1024430444 /nfs/dbraw/zinc/43/04/44/1024430444.db2.gz YWLUGSSMGJBEKD-UHFFFAOYSA-N 1 1 333.479 3.924 20 30 EHEDMO CC(C)CO[C@H](C)c1noc(CO[NH+]=C(N)C2CCCCCC2)n1 ZINC000179004377 1024486044 /nfs/dbraw/zinc/48/60/44/1024486044.db2.gz ZKGQXOYSYNTYLN-CYBMUJFWSA-N 1 1 338.452 3.562 20 30 EHEDMO COCC[N@@H+](C)CC[C@@H](Nc1cccc(F)c1C#N)c1ccccc1 ZINC000505577225 1024523476 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ZINC000602910953 1033243364 /nfs/dbraw/zinc/24/33/64/1033243364.db2.gz GWWVUNUYKBRNQV-UHFFFAOYSA-N 1 1 344.418 3.988 20 30 EHEDMO C=CC[C@H](C)C(=O)N1CCC[C@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001269959166 1024906490 /nfs/dbraw/zinc/90/64/90/1024906490.db2.gz BMCLWTROTGHPLX-DOTOQJQBSA-N 1 1 346.437 3.856 20 30 EHEDMO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000895994537 1025061445 /nfs/dbraw/zinc/06/14/45/1025061445.db2.gz MILFRQWUOHXZMV-MRXNPFEDSA-N 1 1 332.513 3.823 20 30 EHEDMO C=C(C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C[C@H](CC)CCCC)C(F)(F)F ZINC001270008539 1025127544 /nfs/dbraw/zinc/12/75/44/1025127544.db2.gz WTNKAWUOKGXWNI-PMPSAXMXSA-N 1 1 346.437 3.997 20 30 EHEDMO C=CCCn1cc(CNc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)nn1 ZINC000657321192 1025141633 /nfs/dbraw/zinc/14/16/33/1025141633.db2.gz PZAVLUXHEQOINA-KRWDZBQOSA-N 1 1 339.487 3.698 20 30 EHEDMO C#CCOc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000113313291 1025146002 /nfs/dbraw/zinc/14/60/02/1025146002.db2.gz PMIRRCVGFANMCR-QFIPXVFZSA-N 1 1 328.415 3.973 20 30 EHEDMO COC(=O)c1ccc(Cl)c(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000611574922 1025253517 /nfs/dbraw/zinc/25/35/17/1025253517.db2.gz VSJCBCUSROLOQA-LBPRGKRZSA-N 1 1 328.799 3.849 20 30 EHEDMO CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](CC)c1ccccc1 ZINC000521193950 1025253939 /nfs/dbraw/zinc/25/39/39/1025253939.db2.gz ZLIAIPMNXBLZQA-QUCCMNQESA-N 1 1 329.488 3.904 20 30 EHEDMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000521194446 1025267858 /nfs/dbraw/zinc/26/78/58/1025267858.db2.gz RRZSWFQHTMFDEV-HNNXBMFYSA-N 1 1 347.418 3.614 20 30 EHEDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000521194446 1025267866 /nfs/dbraw/zinc/26/78/66/1025267866.db2.gz RRZSWFQHTMFDEV-HNNXBMFYSA-N 1 1 347.418 3.614 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046528444 1033275967 /nfs/dbraw/zinc/27/59/67/1033275967.db2.gz SYCFUFLSFWSXIU-CYBMUJFWSA-N 1 1 327.815 3.671 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046528444 1033275976 /nfs/dbraw/zinc/27/59/76/1033275976.db2.gz SYCFUFLSFWSXIU-CYBMUJFWSA-N 1 1 327.815 3.671 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(CCC#N)CC1 ZINC000521431242 1025386600 /nfs/dbraw/zinc/38/66/00/1025386600.db2.gz KNDLGCVYEMQKTK-ZDUSSCGKSA-N 1 1 344.846 3.554 20 30 EHEDMO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(C#N)cs1 ZINC000344745125 1025388624 /nfs/dbraw/zinc/38/86/24/1025388624.db2.gz VYASMTJREZJSAV-KXBFYZLASA-N 1 1 325.481 3.620 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(C#N)cs1 ZINC000344745125 1025388640 /nfs/dbraw/zinc/38/86/40/1025388640.db2.gz VYASMTJREZJSAV-KXBFYZLASA-N 1 1 325.481 3.620 20 30 EHEDMO C[C@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccc(C#N)c(F)c1 ZINC000551817838 1025464908 /nfs/dbraw/zinc/46/49/08/1025464908.db2.gz RZQOEBGYJUBPMQ-HNNXBMFYSA-N 1 1 334.398 3.793 20 30 EHEDMO COc1cc(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)ccc1C#N ZINC000442884785 1025565363 /nfs/dbraw/zinc/56/53/63/1025565363.db2.gz KZPNQNZEXXGSIO-IERDGZPVSA-N 1 1 336.435 3.837 20 30 EHEDMO COc1cc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)ccc1C#N ZINC000442884785 1025565368 /nfs/dbraw/zinc/56/53/68/1025565368.db2.gz KZPNQNZEXXGSIO-IERDGZPVSA-N 1 1 336.435 3.837 20 30 EHEDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)[C@H]1CCC(=O)N1 ZINC000329046901 1025578706 /nfs/dbraw/zinc/57/87/06/1025578706.db2.gz JSQLGIFASJFTDR-SJORKVTESA-N 1 1 343.471 3.535 20 30 EHEDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425528996 1025633046 /nfs/dbraw/zinc/63/30/46/1025633046.db2.gz AHJBIKDIUCWLKS-ZDUSSCGKSA-N 1 1 325.368 3.668 20 30 EHEDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425528996 1025633058 /nfs/dbraw/zinc/63/30/58/1025633058.db2.gz AHJBIKDIUCWLKS-ZDUSSCGKSA-N 1 1 325.368 3.668 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000425532450 1025659599 /nfs/dbraw/zinc/65/95/99/1025659599.db2.gz BSPHURISBCWZBB-RDTXWAMCSA-N 1 1 344.842 3.644 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000425537771 1025669867 /nfs/dbraw/zinc/66/98/67/1025669867.db2.gz RDYNURHWGOTBAR-AOMKIAJQSA-N 1 1 347.462 3.819 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000425537771 1025669876 /nfs/dbraw/zinc/66/98/76/1025669876.db2.gz RDYNURHWGOTBAR-AOMKIAJQSA-N 1 1 347.462 3.819 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1c(C#N)cccc1C#N ZINC000436408431 1025669975 /nfs/dbraw/zinc/66/99/75/1025669975.db2.gz MAXJDFJKTRGTBX-OXQOHEQNSA-N 1 1 330.435 3.752 20 30 EHEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000329215612 1025671280 /nfs/dbraw/zinc/67/12/80/1025671280.db2.gz MYZYNHNPXPBFLF-OCCSQVGLSA-N 1 1 347.484 3.948 20 30 EHEDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(OC)c1 ZINC000443063796 1025684104 /nfs/dbraw/zinc/68/41/04/1025684104.db2.gz BAOSWKMQCMVEKI-OAQYLSRUSA-N 1 1 338.451 3.730 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nccc(C#N)c2Cl)C1 ZINC000342206321 1025690640 /nfs/dbraw/zinc/69/06/40/1025690640.db2.gz ARHXKSHAMAGEOQ-GJZGRUSLSA-N 1 1 332.879 3.697 20 30 EHEDMO COc1cc(C#N)ccc1C[N@@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000347260467 1025755933 /nfs/dbraw/zinc/75/59/33/1025755933.db2.gz NGDGCDQQOBCJAS-FQEVSTJZSA-N 1 1 338.451 3.586 20 30 EHEDMO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)nc1 ZINC000896653165 1025808107 /nfs/dbraw/zinc/80/81/07/1025808107.db2.gz AFLTUFCBBHTDAN-QGZVFWFLSA-N 1 1 331.423 3.511 20 30 EHEDMO CC(C)[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C)c1nnc2ccccn21 ZINC000329404396 1025813868 /nfs/dbraw/zinc/81/38/68/1025813868.db2.gz BLYRMADRSMEYJZ-DAYGRLMNSA-N 1 1 343.475 3.551 20 30 EHEDMO O=C(N[C@@H]1CCCOC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329434871 1025845118 /nfs/dbraw/zinc/84/51/18/1025845118.db2.gz JIOAYEVWSICGGK-JKSUJKDBSA-N 1 1 331.460 3.629 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]3CCC[C@H]32)cc1Cl ZINC000444178672 1025888431 /nfs/dbraw/zinc/88/84/31/1025888431.db2.gz BDIIPKZYDWUBBO-CXAGYDPISA-N 1 1 331.847 3.805 20 30 EHEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000444230718 1025949042 /nfs/dbraw/zinc/94/90/42/1025949042.db2.gz ACJGNOVWRZRLLQ-HXUWFJFHSA-N 1 1 335.451 3.840 20 30 EHEDMO CC(C)[C@H]([NH2+]CC(=O)NC1CCCCCC1)c1nnc2ccccn21 ZINC000329572237 1026021784 /nfs/dbraw/zinc/02/17/84/1026021784.db2.gz JCHSQDZFQGHIBR-SFHVURJKSA-N 1 1 343.475 3.695 20 30 EHEDMO CCOc1cc2c(cc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)O[C@@H](C)C2 ZINC000329592358 1026042100 /nfs/dbraw/zinc/04/21/00/1026042100.db2.gz UIGHNUAWIMLVOS-MJBXVCDLSA-N 1 1 332.444 3.870 20 30 EHEDMO C[N@H+](CC#Cc1ccccc1Cl)CCc1ccccc1[N+](=O)[O-] ZINC000511119586 1026205605 /nfs/dbraw/zinc/20/56/05/1026205605.db2.gz AOSPDCCIMPNESW-UHFFFAOYSA-N 1 1 328.799 3.774 20 30 EHEDMO O[C@@H]1CC[C@H]2C[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)CC[C@H]2C1 ZINC000451692211 1026233985 /nfs/dbraw/zinc/23/39/85/1026233985.db2.gz DSDVOHWHBOPUBK-XYJFISCASA-N 1 1 337.385 3.540 20 30 EHEDMO FC1(F)[C@@H]2C[NH+](Cc3ccco3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897052399 1026277478 /nfs/dbraw/zinc/27/74/78/1026277478.db2.gz KUBHUSJDBJQKDT-RKDXNWHRSA-N 1 1 349.221 3.882 20 30 EHEDMO COc1ccc(-c2nc(C[NH+]3CCC(CC#N)CC3)cs2)cc1 ZINC000582506230 1026457682 /nfs/dbraw/zinc/45/76/82/1026457682.db2.gz VUTYTUDSQIXMTR-UHFFFAOYSA-N 1 1 327.453 3.944 20 30 EHEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000339237965 1026467492 /nfs/dbraw/zinc/46/74/92/1026467492.db2.gz NTVGSWLQAZRWOS-KRWDZBQOSA-N 1 1 327.472 3.561 20 30 EHEDMO CCN(C(=O)c1ccc(C#N)cc1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186331085 1026506526 /nfs/dbraw/zinc/50/65/26/1026506526.db2.gz VXMJFKLOKPMLEG-HXUWFJFHSA-N 1 1 347.462 3.603 20 30 EHEDMO C=C(C)COc1cc(CNC[C@H](C)[NH+]2CCC(C)CC2)ccc1OC ZINC000060950109 1027021445 /nfs/dbraw/zinc/02/14/45/1027021445.db2.gz KZFGJWSFJKHSOH-SFHVURJKSA-N 1 1 346.515 3.860 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(CN2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000127334122 1027298280 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C[C@H]1CN(c2ccccc2C[N@H+](CCC#N)CC(C)(C)C)CCO1 ZINC000459347276 1027767945 /nfs/dbraw/zinc/76/79/45/1027767945.db2.gz XQMXVHCLSHEBOR-KRWDZBQOSA-N 1 1 329.488 3.673 20 30 EHEDMO C[C@H]1CN(c2ccccc2C[N@@H+](CCC#N)CC(C)(C)C)CCO1 ZINC000459347276 1027767963 /nfs/dbraw/zinc/76/79/63/1027767963.db2.gz XQMXVHCLSHEBOR-KRWDZBQOSA-N 1 1 329.488 3.673 20 30 EHEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000533436126 1027878226 /nfs/dbraw/zinc/87/82/26/1027878226.db2.gz UTILTDPFIKZBGA-QFBILLFUSA-N 1 1 333.435 3.765 20 30 EHEDMO FC(F)(F)C[C@H]1CCC[N@@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000420939941 1027894543 /nfs/dbraw/zinc/89/45/43/1027894543.db2.gz CNWQVMRMGXKLJT-SECBINFHSA-N 1 1 343.258 3.865 20 30 EHEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420956002 1027923434 /nfs/dbraw/zinc/92/34/34/1027923434.db2.gz XJQHYCAGFYFYNF-HNNXBMFYSA-N 1 1 326.362 3.992 20 30 EHEDMO CC(C)(C#N)CCCC[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000444624887 1028095984 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C[C@H](C#N)C[N@@H+](CCOc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000533596493 1028154491 /nfs/dbraw/zinc/15/44/91/1028154491.db2.gz KRMZFHUVUCGHSJ-GFCCVEGCSA-N 1 1 328.334 3.588 20 30 EHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000502464589 1028241239 /nfs/dbraw/zinc/24/12/39/1028241239.db2.gz BKWMLCXJXCEJNU-CQSZACIVSA-N 1 1 330.378 3.980 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000502464589 1028241252 /nfs/dbraw/zinc/24/12/52/1028241252.db2.gz BKWMLCXJXCEJNU-CQSZACIVSA-N 1 1 330.378 3.980 20 30 EHEDMO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccccc1Cl ZINC000139741431 1028390031 /nfs/dbraw/zinc/39/00/31/1028390031.db2.gz QQAKWWSOLDCFCH-HNNXBMFYSA-N 1 1 341.842 3.937 20 30 EHEDMO COc1ccc(C[N@H+]2CC[C@H](CC3CC3)C2)cc1OCCCC#N ZINC000354528752 1028440300 /nfs/dbraw/zinc/44/03/00/1028440300.db2.gz SRCQAJDGKRWDQI-GOSISDBHSA-N 1 1 328.456 4.000 20 30 EHEDMO CC[N@H+]1CC[C@H](CNC(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000504399832 1028611135 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EHEDMO C=CCN(Cc1ccc(OC)cc1)Cc1[nH+]cc(C)c(OC)c1C ZINC000524308973 1029069627 /nfs/dbraw/zinc/06/96/27/1029069627.db2.gz FYSFVUMRSPKONT-UHFFFAOYSA-N 1 1 326.440 3.904 20 30 EHEDMO C=CC(C)(C)CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000454634043 1029119310 /nfs/dbraw/zinc/11/93/10/1029119310.db2.gz TXNZFACCCLEIGY-UHFFFAOYSA-N 1 1 333.501 3.569 20 30 EHEDMO COCC[N@@H+](CCCc1ccccc1)Cc1cc(C#N)ccc1OC ZINC000533004602 1029165552 /nfs/dbraw/zinc/16/55/52/1029165552.db2.gz PEHZMTLBIUQJQU-UHFFFAOYSA-N 1 1 338.451 3.648 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000533010608 1029193112 /nfs/dbraw/zinc/19/31/12/1029193112.db2.gz HLEQASZJSSLJEE-UHFFFAOYSA-N 1 1 349.865 3.775 20 30 EHEDMO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000505097785 1029220194 /nfs/dbraw/zinc/22/01/94/1029220194.db2.gz GIPIOGQVHMOBDD-UHFFFAOYSA-N 1 1 349.478 3.737 20 30 EHEDMO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000505097785 1029220198 /nfs/dbraw/zinc/22/01/98/1029220198.db2.gz GIPIOGQVHMOBDD-UHFFFAOYSA-N 1 1 349.478 3.737 20 30 EHEDMO C=CCC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000533076235 1029281583 /nfs/dbraw/zinc/28/15/83/1029281583.db2.gz SKJPBHHZFYXPTL-GDBMZVCRSA-N 1 1 340.389 3.781 20 30 EHEDMO COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)cc1C#N ZINC000533079867 1029284758 /nfs/dbraw/zinc/28/47/58/1029284758.db2.gz FGVYJAMCZWVEMA-KKSFZXQISA-N 1 1 336.435 3.837 20 30 EHEDMO COc1ccc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)cc1C#N ZINC000533079867 1029284779 /nfs/dbraw/zinc/28/47/79/1029284779.db2.gz FGVYJAMCZWVEMA-KKSFZXQISA-N 1 1 336.435 3.837 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000524593949 1029348470 /nfs/dbraw/zinc/34/84/70/1029348470.db2.gz YJUUKDYIZBLANP-FHWLQOOXSA-N 1 1 326.484 3.762 20 30 EHEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000424844434 1029383073 /nfs/dbraw/zinc/38/30/73/1029383073.db2.gz UMFOFIPORGTRMY-OAQYLSRUSA-N 1 1 326.484 3.713 20 30 EHEDMO C=C1CC[NH+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)CC1 ZINC000524676657 1029417927 /nfs/dbraw/zinc/41/79/27/1029417927.db2.gz AMFGYGBMTBCYSX-UHFFFAOYSA-N 1 1 334.463 3.886 20 30 EHEDMO C[C@@H](c1cccs1)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000022013432 1029426869 /nfs/dbraw/zinc/42/68/69/1029426869.db2.gz DGKJWVMJYJMFQY-NSHDSACASA-N 1 1 333.844 3.905 20 30 EHEDMO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000022013432 1029426878 /nfs/dbraw/zinc/42/68/78/1029426878.db2.gz DGKJWVMJYJMFQY-NSHDSACASA-N 1 1 333.844 3.905 20 30 EHEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)[C@H]2CCCC[C@@H]12 ZINC000533239174 1029522190 /nfs/dbraw/zinc/52/21/90/1029522190.db2.gz JLJLDDHDODNLLB-KBMXLJTQSA-N 1 1 331.485 3.849 20 30 EHEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1[nH+]cc(C)c(OC)c1C ZINC000533247376 1029525691 /nfs/dbraw/zinc/52/56/91/1029525691.db2.gz YOGQJIGFWOYCMH-UHFFFAOYSA-N 1 1 341.411 3.803 20 30 EHEDMO C[N@@H+](CCc1cccc(NC(=O)Nc2ccc(C#N)cc2)c1)C1CC1 ZINC000091629715 1029538684 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EHEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461426275 1038416167 /nfs/dbraw/zinc/41/61/67/1038416167.db2.gz ISIZNBMUNHNZGU-IRFCIJBXSA-N 1 1 326.484 3.569 20 30 EHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000341455761 1038565990 /nfs/dbraw/zinc/56/59/90/1038565990.db2.gz FAYOWWDTFRZKRF-BETUJISGSA-N 1 1 334.851 3.596 20 30 EHEDMO C[C@@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000461920732 1038675185 /nfs/dbraw/zinc/67/51/85/1038675185.db2.gz JHEQKYMEYAVNTO-IXDOHACOSA-N 1 1 341.499 3.534 20 30 EHEDMO CC(C)C[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000500480048 1038793823 /nfs/dbraw/zinc/79/38/23/1038793823.db2.gz RFRVFRTXPNUWKL-CQSZACIVSA-N 1 1 345.512 3.948 20 30 EHEDMO CC[N@@H+](CCc1ccc(OC)cc1)Cc1sc(N)c(C#N)c1Cl ZINC001141113129 1038856910 /nfs/dbraw/zinc/85/69/10/1038856910.db2.gz CAQPXSOBXXYNJZ-UHFFFAOYSA-N 1 1 349.887 3.929 20 30 EHEDMO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+](C1CC1)C1CCCC1 ZINC000728911853 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3.586 20 30 EHEDMO CCC(CC)[C@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)N1CCCC1 ZINC000236696299 1039242661 /nfs/dbraw/zinc/24/26/61/1039242661.db2.gz LPGYMNKKKJHIGI-UTKZUKDTSA-N 1 1 343.515 3.968 20 30 EHEDMO COCCOc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000154383803 1039299997 /nfs/dbraw/zinc/29/99/97/1039299997.db2.gz UYMMBRPDJNIRON-UHFFFAOYSA-N 1 1 338.451 3.994 20 30 EHEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000613733529 1039493682 /nfs/dbraw/zinc/49/36/82/1039493682.db2.gz DQICOOYGPDNOHU-GOSISDBHSA-N 1 1 337.467 3.548 20 30 EHEDMO C=CCC1(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCC1 ZINC000480412258 1039520632 /nfs/dbraw/zinc/52/06/32/1039520632.db2.gz QIRLOQKAKLSJNL-LJQANCHMSA-N 1 1 326.484 3.760 20 30 EHEDMO C[C@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000053233040 1039549413 /nfs/dbraw/zinc/54/94/13/1039549413.db2.gz COBNXYUJOSFXKU-LLVKDONJSA-N 1 1 333.844 3.905 20 30 EHEDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000053233040 1039549431 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1040631428 /nfs/dbraw/zinc/63/14/28/1040631428.db2.gz ADXGSYMEVYUFIB-MRXNPFEDSA-N 1 1 340.389 3.704 20 30 EHEDMO C=CCCCCCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000533950113 1040679379 /nfs/dbraw/zinc/67/93/79/1040679379.db2.gz NIVNSGNXMQASRR-OALUTQOASA-N 1 1 329.488 3.820 20 30 EHEDMO C=CCCCCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000364282598 1040681037 /nfs/dbraw/zinc/68/10/37/1040681037.db2.gz BACIOLVDGRNLDF-QGZVFWFLSA-N 1 1 329.488 3.966 20 30 EHEDMO COc1ccc(Cn2c[nH+]c3c2CCCC3)cc1OCCCC#N ZINC000600179618 1040785899 /nfs/dbraw/zinc/78/58/99/1040785899.db2.gz RLEQIFQVDHJMSS-UHFFFAOYSA-N 1 1 325.412 3.501 20 30 EHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)c1 ZINC000614235983 1040789916 /nfs/dbraw/zinc/78/99/16/1040789916.db2.gz UPWUHIKZCXGNNK-IBGZPJMESA-N 1 1 330.435 3.820 20 30 EHEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000411482541 1040909678 /nfs/dbraw/zinc/90/96/78/1040909678.db2.gz CNLZRLRVLUNKNF-ZDUSSCGKSA-N 1 1 334.366 3.616 20 30 EHEDMO 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3.597 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[N@@H+](CCCC(C)(C)C#N)C[C@@](C)(F)C1 ZINC000497137995 1122344722 /nfs/dbraw/zinc/34/47/22/1122344722.db2.gz SLTAUJKHYNYKND-GOSISDBHSA-N 1 1 341.471 3.597 20 30 EHEDMO C#CC[N@H+](C[C@H](O)c1ccc(F)c(F)c1)[C@@H]1CCc2ccccc21 ZINC000917119313 1122513052 /nfs/dbraw/zinc/51/30/52/1122513052.db2.gz ZGQYANHTAFPJSG-UXHICEINSA-N 1 1 327.374 3.621 20 30 EHEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)c(OC)c1 ZINC000497593889 1122600512 /nfs/dbraw/zinc/60/05/12/1122600512.db2.gz LVSFROBPNIDSCT-QXAKKESOSA-N 1 1 347.499 3.674 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(OC)c(OC)c1Br)C(C)C ZINC000917829854 1122694029 /nfs/dbraw/zinc/69/40/29/1122694029.db2.gz BPLRWOAZZDSOTR-UHFFFAOYSA-N 1 1 328.250 3.863 20 30 EHEDMO C=CC[N@H+](Cc1ccc(OC)c(OC)c1Br)C(C)C ZINC000917829854 1122694033 /nfs/dbraw/zinc/69/40/33/1122694033.db2.gz BPLRWOAZZDSOTR-UHFFFAOYSA-N 1 1 328.250 3.863 20 30 EHEDMO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)C(=O)NC1(C#N)CCCCC1 ZINC000069063842 1122749529 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CCc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3F)CC2)s1 ZINC000610003353 1123711380 /nfs/dbraw/zinc/71/13/80/1123711380.db2.gz UXFKTPTXQREFTP-UHFFFAOYSA-N 1 1 343.471 3.639 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000610132263 1123739373 /nfs/dbraw/zinc/73/93/73/1123739373.db2.gz KJXWMACVOBTHEQ-CYBMUJFWSA-N 1 1 346.377 3.917 20 30 EHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H](O)COc1cccc(C)c1 ZINC000615352795 1123784325 /nfs/dbraw/zinc/78/43/25/1123784325.db2.gz LYYGDXFVDVUQMO-SFHVURJKSA-N 1 1 329.415 3.562 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)COc1cccc(C)c1 ZINC000615352795 1123784331 /nfs/dbraw/zinc/78/43/31/1123784331.db2.gz LYYGDXFVDVUQMO-SFHVURJKSA-N 1 1 329.415 3.562 20 30 EHEDMO CC[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000179629657 1123804776 /nfs/dbraw/zinc/80/47/76/1123804776.db2.gz BUNKJKFWRVLPGH-KRWDZBQOSA-N 1 1 329.350 3.516 20 30 EHEDMO C=CCSc1ccccc1C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000615600375 1123841063 /nfs/dbraw/zinc/84/10/63/1123841063.db2.gz CEFDGKNXOVKTEI-IBGZPJMESA-N 1 1 330.497 3.523 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000246070863 1124012538 /nfs/dbraw/zinc/01/25/38/1124012538.db2.gz ZISCFZKXCFKSKC-OAGGEKHMSA-N 1 1 345.512 3.855 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000246070863 1124012545 /nfs/dbraw/zinc/01/25/45/1124012545.db2.gz ZISCFZKXCFKSKC-OAGGEKHMSA-N 1 1 345.512 3.855 20 30 EHEDMO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cc(C#N)ccc1Br ZINC000617217463 1124101022 /nfs/dbraw/zinc/10/10/22/1124101022.db2.gz AFSMDAJWUHQCLN-VIFPVBQESA-N 1 1 334.217 3.776 20 30 EHEDMO CC[N@@H+](CCNc1nc(C(C)(C)C)ccc1C#N)CCC(F)(F)F ZINC000617212576 1124450303 /nfs/dbraw/zinc/45/03/03/1124450303.db2.gz OVSUCGZOFCVKKC-UHFFFAOYSA-N 1 1 342.409 3.937 20 30 EHEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SCC#N)[C@H]2CCCC[C@@H]12 ZINC000248424199 1124661326 /nfs/dbraw/zinc/66/13/26/1124661326.db2.gz NIQQWCROYKTVRF-VYDXJSESSA-N 1 1 343.496 3.751 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001212327255 1124679638 /nfs/dbraw/zinc/67/96/38/1124679638.db2.gz VXSBSBNOIREABR-HNNXBMFYSA-N 1 1 343.390 3.636 20 30 EHEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000249412762 1124754904 /nfs/dbraw/zinc/75/49/04/1124754904.db2.gz FMKHIAHLFDAHHI-HLLBOEOZSA-N 1 1 345.512 3.997 20 30 EHEDMO N#CCC[C@@H]([NH2+]Cc1cncc(Br)c1)c1ccccc1 ZINC000181938329 1125090237 /nfs/dbraw/zinc/09/02/37/1125090237.db2.gz ISOSVGIWZATHMX-MRXNPFEDSA-N 1 1 330.229 3.979 20 30 EHEDMO C=C[C@@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000618665661 1125149281 /nfs/dbraw/zinc/14/92/81/1125149281.db2.gz MOUJKOLLMRPJPI-PKOBYXMFSA-N 1 1 326.484 3.870 20 30 EHEDMO Cc1c([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)nnn1-c1ccccc1 ZINC000618805456 1125207668 /nfs/dbraw/zinc/20/76/68/1125207668.db2.gz OHBLIBPXWOARTH-XOBRGWDASA-N 1 1 343.434 3.786 20 30 EHEDMO N#C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000619784648 1125404298 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20 30 EHEDMO Cc1n[nH]cc1C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000092129057 1129533666 /nfs/dbraw/zinc/53/36/66/1129533666.db2.gz JLUKZNSPJNABEC-UHFFFAOYSA-N 1 1 334.398 3.931 20 30 EHEDMO Cc1n[nH]cc1C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000092129057 1129533668 /nfs/dbraw/zinc/53/36/68/1129533668.db2.gz JLUKZNSPJNABEC-UHFFFAOYSA-N 1 1 334.398 3.931 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168729274 1129587478 /nfs/dbraw/zinc/58/74/78/1129587478.db2.gz AHAOLEQWLPEOMA-ZWOKBUDYSA-N 1 1 347.886 3.633 20 30 EHEDMO C[N@H+](Cc1ccc(C#N)cc1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000125269389 1129675739 /nfs/dbraw/zinc/67/57/39/1129675739.db2.gz RFQCWWSEIOUGGP-NRFANRHFSA-N 1 1 347.462 3.744 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000125269389 1129675741 /nfs/dbraw/zinc/67/57/41/1129675741.db2.gz RFQCWWSEIOUGGP-NRFANRHFSA-N 1 1 347.462 3.744 20 30 EHEDMO CC[N@@H+](CC(=O)N([C@@H](C)C1CC1)C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125748764 1129713306 /nfs/dbraw/zinc/71/33/06/1129713306.db2.gz VWJAFBFKIMCILS-HOTGVXAUSA-N 1 1 339.483 3.731 20 30 EHEDMO CC[N@@H+](CC(=O)N[C@@H](C)c1cccs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125769586 1129714445 /nfs/dbraw/zinc/71/44/45/1129714445.db2.gz FHTKQXRLMUOYLE-GJZGRUSLSA-N 1 1 341.480 3.880 20 30 EHEDMO CCN(C(=O)[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1)C1CCCCC1 ZINC000126299736 1129743742 /nfs/dbraw/zinc/74/37/42/1129743742.db2.gz CAQUXGUVXIPMDJ-MRXNPFEDSA-N 1 1 327.472 3.560 20 30 EHEDMO CCN(C(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1)C1CCCCC1 ZINC000126299736 1129743745 /nfs/dbraw/zinc/74/37/45/1129743745.db2.gz CAQUXGUVXIPMDJ-MRXNPFEDSA-N 1 1 327.472 3.560 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000509109668 1129755686 /nfs/dbraw/zinc/75/56/86/1129755686.db2.gz LHXTUNBSCDGLGX-NHCUHLMSSA-N 1 1 331.463 3.874 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2c(F)cccc2F)CC1 ZINC000509128905 1129818092 /nfs/dbraw/zinc/81/80/92/1129818092.db2.gz UADOITKJKYCSAP-UHFFFAOYSA-N 1 1 327.378 3.549 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2c(F)cccc2F)CC1 ZINC000509128905 1129818097 /nfs/dbraw/zinc/81/80/97/1129818097.db2.gz UADOITKJKYCSAP-UHFFFAOYSA-N 1 1 327.378 3.549 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000245975576 1130335678 /nfs/dbraw/zinc/33/56/78/1130335678.db2.gz WYGBPLRJJAEIDU-IEBWSBKVSA-N 1 1 339.483 3.593 20 30 EHEDMO C=CCc1cc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c(O)c(OC)c1 ZINC000766125431 1130366810 /nfs/dbraw/zinc/36/68/10/1130366810.db2.gz VHHLCFQUBSOBIK-ZDUSSCGKSA-N 1 1 329.362 3.904 20 30 EHEDMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000246302767 1130370901 /nfs/dbraw/zinc/37/09/01/1130370901.db2.gz FPBLPAJLTMAXFX-APWZRJJASA-N 1 1 348.450 3.673 20 30 EHEDMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)OCCCCC#N ZINC000731256602 1130781761 /nfs/dbraw/zinc/78/17/61/1130781761.db2.gz NNWCQHFLQBQHKJ-KRWDZBQOSA-N 1 1 344.455 3.790 20 30 EHEDMO COc1ccc(O)c(/C=N/C[C@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000731488603 1130802775 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/nfs/dbraw/zinc/76/32/98/1134763298.db2.gz LLEOFDOSWUWEKY-IRQNMHNUSA-N 1 1 347.462 3.859 20 30 EHEDMO COC(=O)[C@@H]1CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)[C@@H]1C ZINC001170389430 1134763428 /nfs/dbraw/zinc/76/34/28/1134763428.db2.gz SGGCTOXSRMNTSD-OHESCVLLSA-N 1 1 340.467 3.664 20 30 EHEDMO C[N@H+]1CCN(C2CCC(C#N)(c3ccccc3)CC2)C2(CCCC2)C1 ZINC001170399204 1134765556 /nfs/dbraw/zinc/76/55/56/1134765556.db2.gz ZNOQHCLRDDMDIV-UHFFFAOYSA-N 1 1 337.511 3.951 20 30 EHEDMO CCCCCCCCNC(=O)N1CCN(c2cccc(C)[nH+]2)CC1 ZINC001191051639 1134782689 /nfs/dbraw/zinc/78/26/89/1134782689.db2.gz WWWLTFQIMMRZFP-UHFFFAOYSA-N 1 1 332.492 3.582 20 30 EHEDMO COC(=O)/C=C/c1ccc(OCC[N@H+](CCC#N)CC(C)(C)C)cc1 ZINC001191132760 1134808004 /nfs/dbraw/zinc/80/80/04/1134808004.db2.gz MAMSSRONQGSDHN-DHZHZOJOSA-N 1 1 344.455 3.513 20 30 EHEDMO COC(=O)/C=C/c1ccc(OCC[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC001191132760 1134808007 /nfs/dbraw/zinc/80/80/07/1134808007.db2.gz MAMSSRONQGSDHN-DHZHZOJOSA-N 1 1 344.455 3.513 20 30 EHEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CC[C@H](CSc3ccccc3)C2)c1 ZINC001191330203 1134850211 /nfs/dbraw/zinc/85/02/11/1134850211.db2.gz OQZGJTSNUJVCQP-PXNSSMCTSA-N 1 1 338.476 3.706 20 30 EHEDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001191444089 1134867402 /nfs/dbraw/zinc/86/74/02/1134867402.db2.gz HVMYOLWROMHGEE-FCHUYYIVSA-N 1 1 334.463 3.936 20 30 EHEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001191475485 1134870161 /nfs/dbraw/zinc/87/01/61/1134870161.db2.gz PLTHXCJOOKKEBP-WBVHZDCISA-N 1 1 335.407 3.920 20 30 EHEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(Br)n2)C2CC2)cc1 ZINC000794296711 1135038207 /nfs/dbraw/zinc/03/82/07/1135038207.db2.gz NMMLFMGUIMWTPH-UHFFFAOYSA-N 1 1 342.240 3.880 20 30 EHEDMO N#Cc1ccc(C[N@H+](Cc2cccc(Br)n2)C2CC2)cc1 ZINC000794296711 1135038213 /nfs/dbraw/zinc/03/82/13/1135038213.db2.gz NMMLFMGUIMWTPH-UHFFFAOYSA-N 1 1 342.240 3.880 20 30 EHEDMO CCCCCCC[C@H](C)NC(=O)Nc1cnc2c(c1)C[N@@H+](C)CC2 ZINC001192919945 1135072945 /nfs/dbraw/zinc/07/29/45/1135072945.db2.gz KSULYIGZISHORE-HNNXBMFYSA-N 1 1 332.492 3.940 20 30 EHEDMO CCCCCCC[C@H](C)NC(=O)Nc1cnc2c(c1)C[N@H+](C)CC2 ZINC001192919945 1135072953 /nfs/dbraw/zinc/07/29/53/1135072953.db2.gz KSULYIGZISHORE-HNNXBMFYSA-N 1 1 332.492 3.940 20 30 EHEDMO CC[N@@H+](CCc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001193094637 1135107144 /nfs/dbraw/zinc/10/71/44/1135107144.db2.gz SEMRFJURPJZLCL-QFIPXVFZSA-N 1 1 333.479 3.697 20 30 EHEDMO CCN(CCc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001193094637 1135107148 /nfs/dbraw/zinc/10/71/48/1135107148.db2.gz SEMRFJURPJZLCL-QFIPXVFZSA-N 1 1 333.479 3.697 20 30 EHEDMO CCN(CCc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001193094637 1135107150 /nfs/dbraw/zinc/10/71/50/1135107150.db2.gz SEMRFJURPJZLCL-QFIPXVFZSA-N 1 1 333.479 3.697 20 30 EHEDMO CCCCCCCCCOC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC001194910204 1135339021 /nfs/dbraw/zinc/33/90/21/1135339021.db2.gz KFJXKIADLGGFRF-UHFFFAOYSA-N 1 1 340.508 3.670 20 30 EHEDMO C=CCN(C(=O)Nc1ccccc1C[NH+]1CCSCC1)C(C)C ZINC000747297706 1135377736 /nfs/dbraw/zinc/37/77/36/1135377736.db2.gz ZPPJOYQRRHTUBU-UHFFFAOYSA-N 1 1 333.501 3.664 20 30 EHEDMO C#CCOc1ccc([C@H](C)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000806173566 1135398352 /nfs/dbraw/zinc/39/83/52/1135398352.db2.gz YJISUTYBOVCRCI-HRAATJIYSA-N 1 1 340.442 3.791 20 30 EHEDMO Cc1cc(C#N)ccc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001195334483 1135417836 /nfs/dbraw/zinc/41/78/36/1135417836.db2.gz QBRCSSISXWTARP-YADHBBJMSA-N 1 1 331.463 3.573 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001195334483 1135417841 /nfs/dbraw/zinc/41/78/41/1135417841.db2.gz QBRCSSISXWTARP-YADHBBJMSA-N 1 1 331.463 3.573 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001195334483 1135417843 /nfs/dbraw/zinc/41/78/43/1135417843.db2.gz QBRCSSISXWTARP-YADHBBJMSA-N 1 1 331.463 3.573 20 30 EHEDMO CCCCC[N@@H+](CCNC(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC001130591414 1135427600 /nfs/dbraw/zinc/42/76/00/1135427600.db2.gz FMMINBFKMRWUAZ-UHFFFAOYSA-N 1 1 349.478 3.980 20 30 EHEDMO C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC001195569015 1135442228 /nfs/dbraw/zinc/44/22/28/1135442228.db2.gz UOQOXCDMXDFFPE-VXGBXAGGSA-N 1 1 325.239 3.666 20 30 EHEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC001195569015 1135442229 /nfs/dbraw/zinc/44/22/29/1135442229.db2.gz UOQOXCDMXDFFPE-VXGBXAGGSA-N 1 1 325.239 3.666 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2CC2CCCC2)c1C#N ZINC001195638433 1135445655 /nfs/dbraw/zinc/44/56/55/1135445655.db2.gz JINOKXPTIQMFMT-KRWDZBQOSA-N 1 1 326.440 3.890 20 30 EHEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC[C@H]1C1CCC1 ZINC001195825980 1135477624 /nfs/dbraw/zinc/47/76/24/1135477624.db2.gz VEZJMHAOZSTVAE-KRWDZBQOSA-N 1 1 331.847 3.805 20 30 EHEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC001195947130 1135498795 /nfs/dbraw/zinc/49/87/95/1135498795.db2.gz QOTPSBKFZDXCMI-ROUUACIJSA-N 1 1 341.499 3.902 20 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/nfs/dbraw/zinc/63/20/51/1135632051.db2.gz WCWFLXPUGWSQGE-QFIPXVFZSA-N 1 1 334.463 3.701 20 30 EHEDMO C[C@H](C#N)Oc1ccc(CN[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000808426456 1135660850 /nfs/dbraw/zinc/66/08/50/1135660850.db2.gz SKVUVXKCORLXCW-FOIQADDNSA-N 1 1 341.430 3.509 20 30 EHEDMO COC(=O)c1ccc2c(c1)CC[N@H+](Cc1c(C)cc(C#N)cc1C)C2 ZINC001197421078 1135690877 /nfs/dbraw/zinc/69/08/77/1135690877.db2.gz IVWSTZXVIZGUIL-UHFFFAOYSA-N 1 1 334.419 3.520 20 30 EHEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC001197700879 1135727294 /nfs/dbraw/zinc/72/72/94/1135727294.db2.gz AHZPRVCCSHWBAB-UYAOXDASSA-N 1 1 346.474 3.950 20 30 EHEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC001197700872 1135727800 /nfs/dbraw/zinc/72/78/00/1135727800.db2.gz AHZPRVCCSHWBAB-AZUAARDMSA-N 1 1 346.474 3.950 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000808778481 1135735498 /nfs/dbraw/zinc/73/54/98/1135735498.db2.gz YGZCUDAIYHYNHY-HKUYNNGSSA-N 1 1 339.483 3.752 20 30 EHEDMO C#CC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C(C)(C)C ZINC001197930792 1135752010 /nfs/dbraw/zinc/75/20/10/1135752010.db2.gz SQHMIDBQGGFSDV-UHFFFAOYSA-N 1 1 325.206 3.591 20 30 EHEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCCC[C@]23CCCOC3)c1 ZINC001198828610 1135857255 /nfs/dbraw/zinc/85/72/55/1135857255.db2.gz MBJXNTQXNONWIG-QGZVFWFLSA-N 1 1 349.272 3.856 20 30 EHEDMO N#Cc1ccc(Br)c(C[N@H+]2CCCC[C@]23CCCOC3)c1 ZINC001198828610 1135857259 /nfs/dbraw/zinc/85/72/59/1135857259.db2.gz MBJXNTQXNONWIG-QGZVFWFLSA-N 1 1 349.272 3.856 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@@]12C[N@@H+](CCCCC#N)C[C@H]1CCCC2 ZINC001198838371 1135862647 /nfs/dbraw/zinc/86/26/47/1135862647.db2.gz XDAROZPWCPZDJD-APWZRJJASA-N 1 1 335.492 3.697 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000809638008 1135864172 /nfs/dbraw/zinc/86/41/72/1135864172.db2.gz VNMCEOJFANYXNM-INIZCTEOSA-N 1 1 333.357 3.720 20 30 EHEDMO CCCNc1ccc(C#N)cc1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810436016 1135964743 /nfs/dbraw/zinc/96/47/43/1135964743.db2.gz JIOTWENVGMVSKJ-LJQANCHMSA-N 1 1 346.450 3.531 20 30 EHEDMO CCCC[N@@H+]1CCCC[C@H]1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000776156395 1136008996 /nfs/dbraw/zinc/00/89/96/1136008996.db2.gz LYDNBTMTQXDOIA-MJGOQNOKSA-N 1 1 329.488 3.894 20 30 EHEDMO CCCC[N@H+]1CCCC[C@H]1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000776156395 1136008999 /nfs/dbraw/zinc/00/89/99/1136008999.db2.gz LYDNBTMTQXDOIA-MJGOQNOKSA-N 1 1 329.488 3.894 20 30 EHEDMO Cc1cnc(N=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C#N)c1 ZINC001201474305 1136032008 /nfs/dbraw/zinc/03/20/08/1136032008.db2.gz DUUXRGDTMMLLLC-UXHICEINSA-N 1 1 330.435 3.994 20 30 EHEDMO C#CCCCCCC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000810981456 1136032987 /nfs/dbraw/zinc/03/29/87/1136032987.db2.gz CIFRSJUXKHDBDP-OAQYLSRUSA-N 1 1 340.511 3.989 20 30 EHEDMO CCCCCCC[N@H+]1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 ZINC001201762679 1136061047 /nfs/dbraw/zinc/06/10/47/1136061047.db2.gz QUXVNERTBCTJLO-HKUYNNGSSA-N 1 1 332.463 3.686 20 30 EHEDMO CCCCCCC[N@H+]1CCC[C@@]2(C[C@@H](N(C)c3ncccn3)CO2)C1 ZINC001201776776 1136065496 /nfs/dbraw/zinc/06/54/96/1136065496.db2.gz KUWARUFXMUHUNV-UYAOXDASSA-N 1 1 346.519 3.507 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@@]2(C1)CCC[C@@H](CNC(=O)C(C)C)O2 ZINC001201776976 1136065836 /nfs/dbraw/zinc/06/58/36/1136065836.db2.gz QRHXMOOBDIGAOZ-AZUAARDMSA-N 1 1 338.536 3.743 20 30 EHEDMO CCCCCCC[N@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001201776593 1136065846 /nfs/dbraw/zinc/06/58/46/1136065846.db2.gz GKWLKVLLWMVRPH-XUVXKRRUSA-N 1 1 332.488 3.800 20 30 EHEDMO CCCCCCCCCC[N@@H+]1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001201852756 1136066798 /nfs/dbraw/zinc/06/67/98/1136066798.db2.gz KADPVRHQLCTJLJ-QGZVFWFLSA-N 1 1 336.524 3.984 20 30 EHEDMO CCCCCCCC[N@H+]1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001201826338 1136067578 /nfs/dbraw/zinc/06/75/78/1136067578.db2.gz SKSYGZIYKOHWQZ-FQEVSTJZSA-N 1 1 329.488 3.871 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1ccc(OCCOC)cc1)c1ccc(Cl)cc1 ZINC000811516086 1136097264 /nfs/dbraw/zinc/09/72/64/1136097264.db2.gz DOFAYEQMOVVNON-LJQANCHMSA-N 1 1 329.827 3.829 20 30 EHEDMO CCOc1cccc(/C=N/Cc2cc(C)[nH+]c(N3CCCC3)c2)c1O ZINC000811625253 1136110687 /nfs/dbraw/zinc/11/06/87/1136110687.db2.gz IKNUDUIVUNEPQY-KGENOOAVSA-N 1 1 339.439 3.714 20 30 EHEDMO C=CCc1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(O)c(OC)c1 ZINC000811793074 1136141339 /nfs/dbraw/zinc/14/13/39/1136141339.db2.gz TVNBDEKIKXGYLV-FXAWDEMLSA-N 1 1 343.467 3.663 20 30 EHEDMO C=CCn1c2ccccc2n(C[N@H+](C)C[C@H]2CCCOC2)c1=S ZINC000107670386 1136175247 /nfs/dbraw/zinc/17/52/47/1136175247.db2.gz ISHDXSJJGYRWJU-OAHLLOKOSA-N 1 1 331.485 3.674 20 30 EHEDMO C=CCn1c2ccccc2n(C[N@@H+](C)C[C@H]2CCCOC2)c1=S ZINC000107670386 1136175248 /nfs/dbraw/zinc/17/52/48/1136175248.db2.gz ISHDXSJJGYRWJU-OAHLLOKOSA-N 1 1 331.485 3.674 20 30 EHEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)n3ncnc32)cc1 ZINC000850499020 1136272214 /nfs/dbraw/zinc/27/22/14/1136272214.db2.gz IDHBYPKOBAJYDC-XEZPLFJOSA-N 1 1 332.835 3.766 20 30 EHEDMO C[C@H](CC#N)C(=O)Oc1cccc(C[N@H+]2CCc3ccccc3C2)c1 ZINC000851103934 1136337375 /nfs/dbraw/zinc/33/73/75/1136337375.db2.gz BUKPBYWPBZENQE-MRXNPFEDSA-N 1 1 334.419 3.700 20 30 EHEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001133918752 1136361411 /nfs/dbraw/zinc/36/14/11/1136361411.db2.gz ISIZNBMUNHNZGU-DYXWJJEUSA-N 1 1 326.484 3.569 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000852319632 1136447941 /nfs/dbraw/zinc/44/79/41/1136447941.db2.gz QPZUORZVVSTJDK-HOTGVXAUSA-N 1 1 327.472 3.937 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000852319632 1136447943 /nfs/dbraw/zinc/44/79/43/1136447943.db2.gz QPZUORZVVSTJDK-HOTGVXAUSA-N 1 1 327.472 3.937 20 30 EHEDMO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000852410485 1136454144 /nfs/dbraw/zinc/45/41/44/1136454144.db2.gz MRXAYJSBMRGVCI-KRWDZBQOSA-N 1 1 327.472 3.513 20 30 EHEDMO C=CC[N@H+](Cc1cc(=O)oc2cc(NC(C)=O)ccc12)C(C)(C)C ZINC000852554900 1136466114 /nfs/dbraw/zinc/46/61/14/1136466114.db2.gz YDTMPFSVSOXMMW-UHFFFAOYSA-N 1 1 328.412 3.538 20 30 EHEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000852595037 1136469188 /nfs/dbraw/zinc/46/91/88/1136469188.db2.gz GBQOKMGIZNGOHU-UYAOXDASSA-N 1 1 328.456 3.608 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000852760052 1136483534 /nfs/dbraw/zinc/48/35/34/1136483534.db2.gz VAPZDFAQODLKCO-KDURUIRLSA-N 1 1 346.858 3.635 20 30 EHEDMO CCCCCCCC[C@H](C)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000852878507 1136492029 /nfs/dbraw/zinc/49/20/29/1136492029.db2.gz PIHDEFZNBOATOH-PKOBYXMFSA-N 1 1 331.504 3.941 20 30 EHEDMO C#Cc1cccnc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000853460538 1136534671 /nfs/dbraw/zinc/53/46/71/1136534671.db2.gz MSIROUGDPQLILD-UHFFFAOYSA-N 1 1 331.463 3.555 20 30 EHEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815200660 1136565275 /nfs/dbraw/zinc/56/52/75/1136565275.db2.gz OHCQDYQVFWFOHC-HUUCEWRRSA-N 1 1 328.884 3.850 20 30 EHEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000815206901 1136570648 /nfs/dbraw/zinc/57/06/48/1136570648.db2.gz RDYQJGDRICVRAC-LJQANCHMSA-N 1 1 342.826 3.896 20 30 EHEDMO CC(C)CCO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000854111309 1136588643 /nfs/dbraw/zinc/58/86/43/1136588643.db2.gz BHQJRTZYVFJXJU-QGZVFWFLSA-N 1 1 336.863 3.879 20 30 EHEDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000854111309 1136588647 /nfs/dbraw/zinc/58/86/47/1136588647.db2.gz BHQJRTZYVFJXJU-QGZVFWFLSA-N 1 1 336.863 3.879 20 30 EHEDMO C=CCC(F)(F)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000815736547 1136635320 /nfs/dbraw/zinc/63/53/20/1136635320.db2.gz DHEWHCXDWUQGRB-AWEZNQCLSA-N 1 1 338.398 3.557 20 30 EHEDMO CCc1nc(C[NH2+]Cc2ccc(OC)c(O[C@H](C#N)CC)c2)cs1 ZINC000113347897 1136697336 /nfs/dbraw/zinc/69/73/36/1136697336.db2.gz CKVPXABRQFAABS-HNNXBMFYSA-N 1 1 345.468 3.685 20 30 EHEDMO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc4ccccc4c3O)CCO2)c1 ZINC000816522115 1136732990 /nfs/dbraw/zinc/73/29/90/1136732990.db2.gz KTBJKMKTUWETPR-OAQYLSRUSA-N 1 1 344.414 3.991 20 30 EHEDMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)nc1 ZINC000858013132 1136931121 /nfs/dbraw/zinc/93/11/21/1136931121.db2.gz HAVSKKYYIMLYGD-LJQANCHMSA-N 1 1 335.451 3.845 20 30 EHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@]2(C(=O)OCC)C[C@H]2C=C)cc1 ZINC001170928322 1136945680 /nfs/dbraw/zinc/94/56/80/1136945680.db2.gz OZASAJBICAQNHC-QFUCXCTJSA-N 1 1 340.467 3.929 20 30 EHEDMO C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000824147184 1137126142 /nfs/dbraw/zinc/12/61/42/1137126142.db2.gz IDYBOBZVCPAHIO-GJYPPUQNSA-N 1 1 335.492 3.648 20 30 EHEDMO C[C@@H]1C[C@@H](C[N@H+]2CCC[C@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000824147190 1137126160 /nfs/dbraw/zinc/12/61/60/1137126160.db2.gz IDYBOBZVCPAHIO-JTDSTZFVSA-N 1 1 335.492 3.648 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000862037392 1137127660 /nfs/dbraw/zinc/12/76/60/1137127660.db2.gz WGLZIDHIJTYNFH-QGZVFWFLSA-N 1 1 329.488 3.902 20 30 EHEDMO C[C@H](C#N)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC000862324026 1137138427 /nfs/dbraw/zinc/13/84/27/1137138427.db2.gz AAYFHCHSVAQTEA-KBAYOESNSA-N 1 1 343.471 3.529 20 30 EHEDMO C[N@H+](Cc1ccsc1C(F)(F)F)C[C@@H](O)c1cccc(C#N)c1 ZINC000862402136 1137142722 /nfs/dbraw/zinc/14/27/22/1137142722.db2.gz ZTTXXAUWAYLEBH-CQSZACIVSA-N 1 1 340.370 3.804 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000862444579 1137144931 /nfs/dbraw/zinc/14/49/31/1137144931.db2.gz CKMHOWFJXZWBCK-ZDUSSCGKSA-N 1 1 329.241 3.843 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000862444062 1137145115 /nfs/dbraw/zinc/14/51/15/1137145115.db2.gz XCPXMSONLFPYJL-QGZVFWFLSA-N 1 1 348.446 3.793 20 30 EHEDMO C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@H+]1CCOCCC#N ZINC000339044920 1137160784 /nfs/dbraw/zinc/16/07/84/1137160784.db2.gz YWNUBHZEUHJZSA-GCJKJVERSA-N 1 1 334.463 3.995 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCOCC23CCCCC3)cc1 ZINC000825099469 1137163309 /nfs/dbraw/zinc/16/33/09/1137163309.db2.gz ZYIFFZIFWQTZLJ-UHFFFAOYSA-N 1 1 327.472 3.572 20 30 EHEDMO C[C@@H](OC(=O)CCCCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000805913590 1137195369 /nfs/dbraw/zinc/19/53/69/1137195369.db2.gz JZGWNFQPCNVBSS-IEBWSBKVSA-N 1 1 328.456 3.914 20 30 EHEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)CC1CCC(C(F)(F)F)CC1 ZINC000844370427 1137213185 /nfs/dbraw/zinc/21/31/85/1137213185.db2.gz HCBOUMDLLAMQIT-QWFMPGPPSA-N 1 1 340.389 3.892 20 30 EHEDMO C[C@H](CC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)OCc1ccccc1 ZINC000844367359 1137215767 /nfs/dbraw/zinc/21/57/67/1137215767.db2.gz ANPXRQYGRLKORP-DYESRHJHSA-N 1 1 338.451 3.519 20 30 EHEDMO C=CC[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001144017972 1137229243 /nfs/dbraw/zinc/22/92/43/1137229243.db2.gz OGCBNLZYNNAVSG-KRWDZBQOSA-N 1 1 328.500 3.841 20 30 EHEDMO C=CC[C@H](C)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001144019058 1137229246 /nfs/dbraw/zinc/22/92/46/1137229246.db2.gz AGPWHOFCHPHLKG-DFQSSKMNSA-N 1 1 326.484 3.569 20 30 EHEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC001144083604 1137237469 /nfs/dbraw/zinc/23/74/69/1137237469.db2.gz LFPMCRGLWZOMSV-GOSISDBHSA-N 1 1 327.815 3.650 20 30 EHEDMO N#Cc1cncc(C[N@@H+]2CCC[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC001144083604 1137237470 /nfs/dbraw/zinc/23/74/70/1137237470.db2.gz LFPMCRGLWZOMSV-GOSISDBHSA-N 1 1 327.815 3.650 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1nc(C)c(C)s1)[C@H]2CC ZINC001144363281 1137278589 /nfs/dbraw/zinc/27/85/89/1137278589.db2.gz GSMCVVOJNGHWJT-LPHOPBHVSA-N 1 1 347.528 3.682 20 30 EHEDMO Oc1ccc(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC001144382541 1137281666 /nfs/dbraw/zinc/28/16/66/1137281666.db2.gz YSEJTPRJDUNMNE-BXKDBHETSA-N 1 1 345.258 3.991 20 30 EHEDMO Oc1ccc(C[N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC001144382541 1137281668 /nfs/dbraw/zinc/28/16/68/1137281668.db2.gz YSEJTPRJDUNMNE-BXKDBHETSA-N 1 1 345.258 3.991 20 30 EHEDMO COCOc1ccc(C)cc1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171182549 1137293341 /nfs/dbraw/zinc/29/33/41/1137293341.db2.gz OVUACTUEOBQXCQ-UHFFFAOYSA-N 1 1 336.391 3.874 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)cc1 ZINC001144567981 1137311520 /nfs/dbraw/zinc/31/15/20/1137311520.db2.gz HCTZENKUSLSAJV-FQEVSTJZSA-N 1 1 328.456 3.547 20 30 EHEDMO CCOc1cc(C[NH2+]CC2(C#N)CCCC2)ccc1OC(=O)CC ZINC000846010380 1137325675 /nfs/dbraw/zinc/32/56/75/1137325675.db2.gz KVUFKUWALODELS-UHFFFAOYSA-N 1 1 330.428 3.574 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001171204683 1137326002 /nfs/dbraw/zinc/32/60/02/1137326002.db2.gz ZSPBNPDQYVPRFY-RHSMWYFYSA-N 1 1 330.428 3.515 20 30 EHEDMO C=CC[C@H](C)[C@@H](C)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1 ZINC000846050905 1137330365 /nfs/dbraw/zinc/33/03/65/1137330365.db2.gz WKCTXLQWLYGLLG-RBUKOAKNSA-N 1 1 345.531 3.716 20 30 EHEDMO CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cccc(C#N)c1[O-] ZINC000866232002 1137337178 /nfs/dbraw/zinc/33/71/78/1137337178.db2.gz DTCJNPPDMCSEGJ-INIZCTEOSA-N 1 1 337.467 3.955 20 30 EHEDMO COc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866282237 1137342585 /nfs/dbraw/zinc/34/25/85/1137342585.db2.gz GIKMLWMHNKIHAU-NSHDSACASA-N 1 1 348.349 3.725 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001171222119 1137348336 /nfs/dbraw/zinc/34/83/36/1137348336.db2.gz DXXHDZMWJNPPRZ-SXSPYAJSSA-N 1 1 345.490 3.553 20 30 EHEDMO C#C[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000847025617 1137383525 /nfs/dbraw/zinc/38/35/25/1137383525.db2.gz NYVRJSYGXYPPGZ-ZDUSSCGKSA-N 1 1 345.240 3.949 20 30 EHEDMO C#C[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000847025617 1137383526 /nfs/dbraw/zinc/38/35/26/1137383526.db2.gz NYVRJSYGXYPPGZ-ZDUSSCGKSA-N 1 1 345.240 3.949 20 30 EHEDMO C[C@H](C#N)c1cccc(C(=O)Nc2ccnc(-c3cc(N)cc[nH+]3)c2)c1 ZINC001148609455 1137428626 /nfs/dbraw/zinc/42/86/26/1137428626.db2.gz CLGJENNRKUSHJY-CYBMUJFWSA-N 1 1 343.390 3.605 20 30 EHEDMO C#CCCCCC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000773254519 1137482078 /nfs/dbraw/zinc/48/20/78/1137482078.db2.gz KDMAFISWCFZWOK-KDURUIRLSA-N 1 1 340.511 3.974 20 30 EHEDMO CC(C)c1ccc([C@@H]([NH2+]CC(=O)NCCC#N)c2cccs2)cc1 ZINC000795147488 1137514226 /nfs/dbraw/zinc/51/42/26/1137514226.db2.gz AELOUFFYBMERNH-LJQANCHMSA-N 1 1 341.480 3.580 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001172310939 1137545877 /nfs/dbraw/zinc/54/58/77/1137545877.db2.gz LWNLHCGZDRKBDO-QGZVFWFLSA-N 1 1 342.446 3.733 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001172311068 1137546247 /nfs/dbraw/zinc/54/62/47/1137546247.db2.gz OCWCLUXBHKIALZ-LAUBAEHRSA-N 1 1 345.446 3.904 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC001172319946 1137546988 /nfs/dbraw/zinc/54/69/88/1137546988.db2.gz SGKJRJYIOIYUPY-CRAIPNDOSA-N 1 1 328.456 3.685 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC001172319946 1137546989 /nfs/dbraw/zinc/54/69/89/1137546989.db2.gz SGKJRJYIOIYUPY-CRAIPNDOSA-N 1 1 328.456 3.685 20 30 EHEDMO CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001172352309 1137553735 /nfs/dbraw/zinc/55/37/35/1137553735.db2.gz GOBXGHWCYJODEP-LNLFQRSKSA-N 1 1 330.472 3.995 20 30 EHEDMO CCCCCCC[C@H](CC)[NH+]1CC2(C1)[C@H](CF)CCS2(=O)=O ZINC001172354884 1137554149 /nfs/dbraw/zinc/55/41/49/1137554149.db2.gz LHKCKRGVNNIZRZ-HOTGVXAUSA-N 1 1 333.513 3.584 20 30 EHEDMO CCCCCCC[C@H](CC)[NH+]1CC2(C1)[C@@H](CF)CCS2(=O)=O ZINC001172354880 1137554221 /nfs/dbraw/zinc/55/42/21/1137554221.db2.gz LHKCKRGVNNIZRZ-CVEARBPZSA-N 1 1 333.513 3.584 20 30 EHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(C2(c3ccc(C)cc3)CCOCC2)no1 ZINC000872181943 1137575557 /nfs/dbraw/zinc/57/55/57/1137575557.db2.gz BZTIHIXVYLXRJI-OAHLLOKOSA-N 1 1 347.846 3.617 20 30 EHEDMO CC(C)C[N@H+](CCC#N)Cc1cn(C)nc1-c1cc(F)ccc1F ZINC000876529973 1137654775 /nfs/dbraw/zinc/65/47/75/1137654775.db2.gz MZUYBXHMJURGNK-UHFFFAOYSA-N 1 1 332.398 3.737 20 30 EHEDMO CC(C)C[N@@H+](CCC#N)Cc1cn(C)nc1-c1cc(F)ccc1F ZINC000876529973 1137654776 /nfs/dbraw/zinc/65/47/76/1137654776.db2.gz MZUYBXHMJURGNK-UHFFFAOYSA-N 1 1 332.398 3.737 20 30 EHEDMO N#Cc1cnc(Cl)c(C[NH+]2CCC(c3ccc(O)cc3)CC2)c1 ZINC000876557882 1137655447 /nfs/dbraw/zinc/65/54/47/1137655447.db2.gz FROFQTSYQNKNCH-UHFFFAOYSA-N 1 1 327.815 3.692 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)c1 ZINC000876663538 1137658518 /nfs/dbraw/zinc/65/85/18/1137658518.db2.gz XIFPRFJXOCGHEM-QZTJIDSGSA-N 1 1 341.842 3.695 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)c1 ZINC000876663538 1137658519 /nfs/dbraw/zinc/65/85/19/1137658519.db2.gz XIFPRFJXOCGHEM-QZTJIDSGSA-N 1 1 341.842 3.695 20 30 EHEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000876683451 1137658965 /nfs/dbraw/zinc/65/89/65/1137658965.db2.gz BTJUWWKFVRLKPU-OAQYLSRUSA-N 1 1 335.451 3.588 20 30 EHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCCOc3ccc(F)cc32)c1 ZINC000876963660 1137666422 /nfs/dbraw/zinc/66/64/22/1137666422.db2.gz HLITYKUNRUVBFV-HNNXBMFYSA-N 1 1 331.778 3.749 20 30 EHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000876976326 1137666804 /nfs/dbraw/zinc/66/68/04/1137666804.db2.gz ONMSJJYONRGMGS-IAGOWNOFSA-N 1 1 327.815 3.617 20 30 EHEDMO C=CCc1cc(C[NH2+]Cc2nc3ccccc3o2)cc(OC)c1OC ZINC000877021250 1137667760 /nfs/dbraw/zinc/66/77/60/1137667760.db2.gz CWBPQWILMORXKG-UHFFFAOYSA-N 1 1 338.407 3.863 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000877046377 1137668634 /nfs/dbraw/zinc/66/86/34/1137668634.db2.gz MNKGVKFAVOENSF-MRXNPFEDSA-N 1 1 340.814 3.577 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)c1ccc(Cl)cc1 ZINC000825948412 1137673377 /nfs/dbraw/zinc/67/33/77/1137673377.db2.gz BDPPFGSUWXWVJP-VQTJNVASSA-N 1 1 341.838 3.972 20 30 EHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H](Sc3ccncc3)C2)cc1 ZINC001137119292 1137674694 /nfs/dbraw/zinc/67/46/94/1137674694.db2.gz DLTWYEFZZCYYBQ-IBGZPJMESA-N 1 1 339.464 3.741 20 30 EHEDMO C[N@H+](Cc1ccccc1CC(F)(F)F)C[C@@H](O)c1cccc(C#N)c1 ZINC000877608976 1137682759 /nfs/dbraw/zinc/68/27/59/1137682759.db2.gz BHFYLTFQXYCLCZ-GOSISDBHSA-N 1 1 348.368 3.828 20 30 EHEDMO CC(C)(C)OC(=O)N1CCCC[C@H](C[N@H+]2CCC[C@H](CC#N)C2)C1 ZINC000877622792 1137683260 /nfs/dbraw/zinc/68/32/60/1137683260.db2.gz ULTDXVRFCLVXGJ-IAGOWNOFSA-N 1 1 335.492 3.649 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@@H+](Cc2ccco2)Cc2cccs2)cc1 ZINC000126629751 1137683572 /nfs/dbraw/zinc/68/35/72/1137683572.db2.gz NJKNNKUONJERTM-LJQANCHMSA-N 1 1 338.432 3.949 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@@H]1c1cc(C)no1)c1ccccc1 ZINC000877971881 1137697607 /nfs/dbraw/zinc/69/76/07/1137697607.db2.gz ROTFWNBXGRKMFN-UYAOXDASSA-N 1 1 337.423 3.561 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@@H]1c1cc(C)no1)c1ccccc1 ZINC000877971881 1137697608 /nfs/dbraw/zinc/69/76/08/1137697608.db2.gz ROTFWNBXGRKMFN-UYAOXDASSA-N 1 1 337.423 3.561 20 30 EHEDMO CC1(C)CCC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000127078678 1137712659 /nfs/dbraw/zinc/71/26/59/1137712659.db2.gz FISGQAYDSSWGJW-INIZCTEOSA-N 1 1 348.450 3.736 20 30 EHEDMO C[N@@H+](CCCOc1cccc(Cl)c1)C[C@H](O)c1ccc(C#N)cc1 ZINC000127224814 1137721557 /nfs/dbraw/zinc/72/15/57/1137721557.db2.gz KIDNAUDXBWDLLJ-IBGZPJMESA-N 1 1 344.842 3.646 20 30 EHEDMO C[C@H](C#N)OCC[N@@H+]1CCC[C@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000879146030 1137739354 /nfs/dbraw/zinc/73/93/54/1137739354.db2.gz ZBHJENDOGTUFTD-ABAIWWIYSA-N 1 1 330.325 3.910 20 30 EHEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000879146030 1137739355 /nfs/dbraw/zinc/73/93/55/1137739355.db2.gz ZBHJENDOGTUFTD-ABAIWWIYSA-N 1 1 330.325 3.910 20 30 EHEDMO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+](C)CCc1cccc(C#N)c1 ZINC000879433773 1137747575 /nfs/dbraw/zinc/74/75/75/1137747575.db2.gz FIALMMGUUATNIW-MRXNPFEDSA-N 1 1 346.434 3.768 20 30 EHEDMO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879433773 1137747576 /nfs/dbraw/zinc/74/75/76/1137747576.db2.gz FIALMMGUUATNIW-MRXNPFEDSA-N 1 1 346.434 3.768 20 30 EHEDMO CC[C@H]([NH2+]Cc1cc(C#N)ccc1OC)c1cccc(OC)c1OC ZINC000879466561 1137748520 /nfs/dbraw/zinc/74/85/20/1137748520.db2.gz UDZCHHFWVGZZKG-KRWDZBQOSA-N 1 1 340.423 3.825 20 30 EHEDMO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000880302982 1137773976 /nfs/dbraw/zinc/77/39/76/1137773976.db2.gz CVLSYSNURVPDTN-MRXNPFEDSA-N 1 1 326.362 3.641 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCSC[C@H]2c2ccccc2)cc1 ZINC000880386845 1137777396 /nfs/dbraw/zinc/77/73/96/1137777396.db2.gz ASQFLACBQQTYDP-PMACEKPBSA-N 1 1 338.476 3.772 20 30 EHEDMO C=CCCn1cc(C[NH2+]C(C)(C)c2ccc(C(F)(F)F)cc2)nn1 ZINC000880385157 1137777477 /nfs/dbraw/zinc/77/74/77/1137777477.db2.gz IKVFRUNRKBTKCM-UHFFFAOYSA-N 1 1 338.377 3.898 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000131170606 1137847675 /nfs/dbraw/zinc/84/76/75/1137847675.db2.gz CFPXPEXBCIVGOA-NRFANRHFSA-N 1 1 347.466 3.905 20 30 EHEDMO C=CCCC[C@H]([NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)c1ccccc1 ZINC000883325081 1137854885 /nfs/dbraw/zinc/85/48/85/1137854885.db2.gz NXIVSEOBTBQSIA-PMACEKPBSA-N 1 1 340.471 3.644 20 30 EHEDMO CN(CCC#N)c1ccc(C[NH2+]Cc2nsc3ccccc32)cc1 ZINC000883410703 1137860111 /nfs/dbraw/zinc/86/01/11/1137860111.db2.gz HRASQLJIWHLZCB-UHFFFAOYSA-N 1 1 336.464 3.936 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1Cl ZINC000103468925 1137876560 /nfs/dbraw/zinc/87/65/60/1137876560.db2.gz QTKDTLRYFKFOSH-QGZVFWFLSA-N 1 1 342.830 3.705 20 30 EHEDMO N#Cc1cccc(OC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000104712630 1137879225 /nfs/dbraw/zinc/87/92/25/1137879225.db2.gz QDAIFSNHWLSMRC-UHFFFAOYSA-N 1 1 337.379 3.510 20 30 EHEDMO Cc1ccc2nc(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)cn2c1 ZINC000104963075 1137879628 /nfs/dbraw/zinc/87/96/28/1137879628.db2.gz IWEBUACWBPRZFQ-UHFFFAOYSA-N 1 1 346.434 3.558 20 30 EHEDMO C=C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000331905180 1137925156 /nfs/dbraw/zinc/92/51/56/1137925156.db2.gz IEDWZFOOUHAVAV-CQSZACIVSA-N 1 1 343.496 3.868 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000118394051 1137933623 /nfs/dbraw/zinc/93/36/23/1137933623.db2.gz NTCQQYZSUJXSDP-HNNXBMFYSA-N 1 1 339.464 3.529 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000332479301 1137944997 /nfs/dbraw/zinc/94/49/97/1137944997.db2.gz LYYZAFRPYKCRAR-OAHLLOKOSA-N 1 1 333.435 3.679 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000332479301 1137944998 /nfs/dbraw/zinc/94/49/98/1137944998.db2.gz LYYZAFRPYKCRAR-OAHLLOKOSA-N 1 1 333.435 3.679 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+](C)CCc2ccccn2)ccc1OC ZINC000120781412 1137952433 /nfs/dbraw/zinc/95/24/33/1137952433.db2.gz NMAAGDXYPAEBPY-UHFFFAOYSA-N 1 1 326.440 3.720 20 30 EHEDMO C=CCc1cc(C[NH2+]Cc2ccc(Cl)cn2)cc(OC)c1OC ZINC000885970695 1138029528 /nfs/dbraw/zinc/02/95/28/1138029528.db2.gz HVZIQPLWJCIGIB-UHFFFAOYSA-N 1 1 332.831 3.771 20 30 EHEDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886046253 1138034893 /nfs/dbraw/zinc/03/48/93/1138034893.db2.gz DJKARWBXKSSVLQ-KGLIPLIRSA-N 1 1 329.469 3.734 20 30 EHEDMO Cc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000043135228 1138038648 /nfs/dbraw/zinc/03/86/48/1138038648.db2.gz JOKQCEZXMOBRBB-UHFFFAOYSA-N 1 1 348.450 3.607 20 30 EHEDMO N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H]2c2ccc(Br)cc2)CCC1 ZINC000886286021 1138064072 /nfs/dbraw/zinc/06/40/72/1138064072.db2.gz ZDFDMZPWGGTSBG-JKSUJKDBSA-N 1 1 349.272 3.641 20 30 EHEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@@H]2c2ccc(Br)cc2)CCC1 ZINC000886286021 1138064073 /nfs/dbraw/zinc/06/40/73/1138064073.db2.gz ZDFDMZPWGGTSBG-JKSUJKDBSA-N 1 1 349.272 3.641 20 30 EHEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000886357671 1138070396 /nfs/dbraw/zinc/07/03/96/1138070396.db2.gz KBTRCLVZHXZBLN-DZGCQCFKSA-N 1 1 329.831 3.720 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2nnc(-c3cc4ccccc4cc3OC)o2)C1 ZINC000886365611 1138071198 /nfs/dbraw/zinc/07/11/98/1138071198.db2.gz MKYFMVWEIXWAHW-HNNXBMFYSA-N 1 1 347.418 3.744 20 30 EHEDMO COCCC[N@@H+]1Cc2cccc(/N=C/c3cccc(OC)c3O)c2C1 ZINC000076106233 1138129726 /nfs/dbraw/zinc/12/97/26/1138129726.db2.gz ZJZKRBXFVXWLRM-CIAFOILYSA-N 1 1 340.423 3.504 20 30 EHEDMO COCCC[N@H+]1Cc2cccc(/N=C/c3cccc(OC)c3O)c2C1 ZINC000076106233 1138129727 /nfs/dbraw/zinc/12/97/27/1138129727.db2.gz ZJZKRBXFVXWLRM-CIAFOILYSA-N 1 1 340.423 3.504 20 30 EHEDMO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccccc1Cl ZINC000083029486 1138174000 /nfs/dbraw/zinc/17/40/00/1138174000.db2.gz JUVSTUPMOKFDLY-XHDPSFHLSA-N 1 1 345.855 3.729 20 30 EHEDMO N#Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000092043800 1138224807 /nfs/dbraw/zinc/22/48/07/1138224807.db2.gz DDDRXNSVNMJXQU-NQIIRXRSSA-N 1 1 335.451 3.638 20 30 EHEDMO N#Cc1ccc(OC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)cc1 ZINC000264137651 1138426829 /nfs/dbraw/zinc/42/68/29/1138426829.db2.gz PTWKYIJRABOFBN-UHFFFAOYSA-N 1 1 335.382 3.612 20 30 EHEDMO CCn1cc(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)nn1 ZINC000887571030 1138454349 /nfs/dbraw/zinc/45/43/49/1138454349.db2.gz SKBHJSXMAXIWKT-OAHLLOKOSA-N 1 1 331.423 3.687 20 30 EHEDMO N#Cc1c(Cl)nsc1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264297383 1138466637 /nfs/dbraw/zinc/46/66/37/1138466637.db2.gz LFNYXSNZLWCWHH-AWEZNQCLSA-N 1 1 346.887 3.645 20 30 EHEDMO C=CCN1CC[C@H]([N@@H+]2CCc3sccc3[C@H]2c2cccs2)C1=O ZINC000337137805 1138476308 /nfs/dbraw/zinc/47/63/08/1138476308.db2.gz PWWYTGCRVSGUSS-YOEHRIQHSA-N 1 1 344.505 3.544 20 30 EHEDMO C=CCN1CC[C@H]([N@H+]2CCc3sccc3[C@H]2c2cccs2)C1=O ZINC000337137805 1138476311 /nfs/dbraw/zinc/47/63/11/1138476311.db2.gz PWWYTGCRVSGUSS-YOEHRIQHSA-N 1 1 344.505 3.544 20 30 EHEDMO CC[C@@H](C)[N@@H+](CCCC1(C#N)CCOCC1)CC(=O)OC(C)(C)C ZINC000337175655 1138486013 /nfs/dbraw/zinc/48/60/13/1138486013.db2.gz IGNYVCSQKWZWCL-MRXNPFEDSA-N 1 1 338.492 3.529 20 30 EHEDMO C=CCOc1cccnc1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000337244414 1138506893 /nfs/dbraw/zinc/50/68/93/1138506893.db2.gz ILXHOQDRXVLMHO-UHFFFAOYSA-N 1 1 345.830 3.614 20 30 EHEDMO COc1ccc(C[N@@H+](CCCSCC#N)C(C)(C)C)c(OC)c1 ZINC000132089510 1138561438 /nfs/dbraw/zinc/56/14/38/1138561438.db2.gz JVTBURVDTNRZFB-UHFFFAOYSA-N 1 1 336.501 3.951 20 30 EHEDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000337444221 1138571174 /nfs/dbraw/zinc/57/11/74/1138571174.db2.gz KTZFFHDMCJFLCK-IRXDYDNUSA-N 1 1 335.451 3.771 20 30 EHEDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000337444221 1138571176 /nfs/dbraw/zinc/57/11/76/1138571176.db2.gz KTZFFHDMCJFLCK-IRXDYDNUSA-N 1 1 335.451 3.771 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000337780107 1138666154 /nfs/dbraw/zinc/66/61/54/1138666154.db2.gz ANULNXBXAWAWQL-INIZCTEOSA-N 1 1 349.434 3.512 20 30 EHEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1N1CCCC1 ZINC000265055544 1138714148 /nfs/dbraw/zinc/71/41/48/1138714148.db2.gz XTDNOJKGSLUHCC-UHFFFAOYSA-N 1 1 335.451 3.821 20 30 EHEDMO C=C[C@@](C)(CC)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000134964575 1138716634 /nfs/dbraw/zinc/71/66/34/1138716634.db2.gz RHLVLLNFDIFDQM-IBGZPJMESA-N 1 1 336.426 3.648 20 30 EHEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000265133464 1138740358 /nfs/dbraw/zinc/74/03/58/1138740358.db2.gz JPQLAFPODNTSNK-UHFFFAOYSA-N 1 1 349.478 3.685 20 30 EHEDMO CN(Cc1ccc(OCC#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000265133464 1138740363 /nfs/dbraw/zinc/74/03/63/1138740363.db2.gz JPQLAFPODNTSNK-UHFFFAOYSA-N 1 1 349.478 3.685 20 30 EHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N(C[C@@H](C)C#N)C2CC2)cc1 ZINC000338344737 1138844180 /nfs/dbraw/zinc/84/41/80/1138844180.db2.gz BOYMFJKDKMXLLQ-INIZCTEOSA-N 1 1 327.472 3.683 20 30 EHEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000151395455 1139029867 /nfs/dbraw/zinc/02/98/67/1139029867.db2.gz ZOMWKRFRQNYCHF-XLIONFOSSA-N 1 1 326.484 3.782 20 30 EHEDMO C=CCN1CCC([NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183562723 1140047284 /nfs/dbraw/zinc/04/72/84/1140047284.db2.gz KRPSBUDTPZFXNA-FQEVSTJZSA-N 1 1 325.431 3.550 20 30 EHEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000184533534 1140107995 /nfs/dbraw/zinc/10/79/95/1140107995.db2.gz SMDPIUUEHLYXJP-HNNXBMFYSA-N 1 1 343.496 3.885 20 30 EHEDMO C=CCC1(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CCC1 ZINC000188898054 1140313145 /nfs/dbraw/zinc/31/31/45/1140313145.db2.gz DGCOQDSWQAIANT-UHFFFAOYSA-N 1 1 327.472 3.513 20 30 EHEDMO CSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000189348081 1140337500 /nfs/dbraw/zinc/33/75/00/1140337500.db2.gz LVEICMUAPSYJDK-AWEZNQCLSA-N 1 1 339.464 3.912 20 30 EHEDMO CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000189348081 1140337508 /nfs/dbraw/zinc/33/75/08/1140337508.db2.gz LVEICMUAPSYJDK-AWEZNQCLSA-N 1 1 339.464 3.912 20 30 EHEDMO CCCCCC#CC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2CCCC(F)(F)F ZINC001274439626 1140981504 /nfs/dbraw/zinc/98/15/04/1140981504.db2.gz UJWZJXKLTHTAMD-HOTGVXAUSA-N 1 1 344.421 3.588 20 30 EHEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000269635538 1141129484 /nfs/dbraw/zinc/12/94/84/1141129484.db2.gz MWIQMIIZJSCQPF-HNNXBMFYSA-N 1 1 349.356 3.539 20 30 EHEDMO CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000269642079 1141130398 /nfs/dbraw/zinc/13/03/98/1141130398.db2.gz JNIPAYZJLPBOCT-AUUYWEPGSA-N 1 1 339.395 3.583 20 30 EHEDMO C=C(C)[C@H](CC(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2)OCC ZINC000271027690 1141296603 /nfs/dbraw/zinc/29/66/03/1141296603.db2.gz LETMQRFUVMWOSB-IBGZPJMESA-N 1 1 330.472 3.968 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](CC)Cc1ccncc1 ZINC000271056151 1141301253 /nfs/dbraw/zinc/30/12/53/1141301253.db2.gz ZMJZAGBLJZOOHV-INIZCTEOSA-N 1 1 343.496 3.568 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](CC)Cc1ccncc1 ZINC000271056151 1141301259 /nfs/dbraw/zinc/30/12/59/1141301259.db2.gz ZMJZAGBLJZOOHV-INIZCTEOSA-N 1 1 343.496 3.568 20 30 EHEDMO C[N@H+]1CC[C@H](CNc2cnccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000271440349 1141367816 /nfs/dbraw/zinc/36/78/16/1141367816.db2.gz VCJWZVXESYTZEB-RDTXWAMCSA-N 1 1 344.821 3.851 20 30 EHEDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)o1 ZINC000274440226 1141529046 /nfs/dbraw/zinc/52/90/46/1141529046.db2.gz JJPVQDODWLUCDZ-SFHVURJKSA-N 1 1 326.396 3.665 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)cc(OC)c1O ZINC000348555173 1141550649 /nfs/dbraw/zinc/55/06/49/1141550649.db2.gz ZWIFFRKWYSWAMU-YJBOKZPZSA-N 1 1 333.472 3.645 20 30 EHEDMO C=CCN(Cc1ccccc1)C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000348969083 1141617680 /nfs/dbraw/zinc/61/76/80/1141617680.db2.gz OVZVZGUPEQFHEL-UHFFFAOYSA-N 1 1 334.463 3.650 20 30 EHEDMO Cc1nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1CC#N ZINC001164627492 719101167 /nfs/dbraw/zinc/10/11/67/719101167.db2.gz KZWCDOYAZIBOPZ-RTWAWAEBSA-N 1 1 346.478 3.557 20 30 EHEDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1c(C#N)c(Cl)nc2cccc(Cl)c21 ZINC001164631350 719258959 /nfs/dbraw/zinc/25/89/59/719258959.db2.gz DECPPXMKOAYKMF-QWRGUYRKSA-N 1 1 349.265 3.942 20 30 EHEDMO Cc1cccc2nc(Cl)c(C#N)c(N3C[C@H](C)[N@H+](C)C[C@@H]3C)c12 ZINC001164632610 719258995 /nfs/dbraw/zinc/25/89/95/719258995.db2.gz JCQKNIBKGJLABM-STQMWFEESA-N 1 1 328.847 3.597 20 30 EHEDMO C=CCCCCNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000274580688 1014277093 /nfs/dbraw/zinc/27/70/93/1014277093.db2.gz JDXFBPLCFXZDCB-MRXNPFEDSA-N 1 1 331.460 3.558 20 30 EHEDMO C=CC[C@@H]1CCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000890555658 1014713450 /nfs/dbraw/zinc/71/34/50/1014713450.db2.gz BOVVPWOVDKNMPR-IAGOWNOFSA-N 1 1 327.472 3.670 20 30 EHEDMO N#Cc1cccc([C@@H](O)C[N@@H+](Cc2ccc(F)cc2F)C2CC2)c1 ZINC001167062571 1014805065 /nfs/dbraw/zinc/80/50/65/1014805065.db2.gz LTUFGQFJJSOFSC-IBGZPJMESA-N 1 1 328.362 3.534 20 30 EHEDMO C[C@H]1C[C@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC[N@H+]1C ZINC000610209004 1014949959 /nfs/dbraw/zinc/94/99/59/1014949959.db2.gz NKDORNIZVVNWDC-MGPUTAFESA-N 1 1 348.450 3.514 20 30 EHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339678335 1015507043 /nfs/dbraw/zinc/50/70/43/1015507043.db2.gz MDLMQXHLPOQGFT-TZMCWYRMSA-N 1 1 331.847 3.661 20 30 EHEDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc2c(c1)CC(=O)N2C ZINC000274869826 1015545379 /nfs/dbraw/zinc/54/53/79/1015545379.db2.gz WSSUVBJRBSCVEH-LBPRGKRZSA-N 1 1 339.826 3.581 20 30 EHEDMO CC1=C[C@H](C)C[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000430265746 1015564281 /nfs/dbraw/zinc/56/42/81/1015564281.db2.gz FPYZDSMOFWACPE-HOCLYGCPSA-N 1 1 343.496 3.917 20 30 EHEDMO CC1=C[C@H](C)C[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000430265746 1015564286 /nfs/dbraw/zinc/56/42/86/1015564286.db2.gz FPYZDSMOFWACPE-HOCLYGCPSA-N 1 1 343.496 3.917 20 30 EHEDMO CC[N@@H+](Cc1ccc(Br)c2cccnc12)C[C@H](C)C#N ZINC000179943261 1015762908 /nfs/dbraw/zinc/76/29/08/1015762908.db2.gz OBXAFVQNEPRDHN-GFCCVEGCSA-N 1 1 332.245 3.979 20 30 EHEDMO CC[N@H+](Cc1ccc(Br)c2cccnc12)C[C@H](C)C#N ZINC000179943261 1015762913 /nfs/dbraw/zinc/76/29/13/1015762913.db2.gz OBXAFVQNEPRDHN-GFCCVEGCSA-N 1 1 332.245 3.979 20 30 EHEDMO CC[N@@H+](Cc1ccc(Br)c2cccnc12)C[C@@H](C)C#N ZINC000179943244 1015763034 /nfs/dbraw/zinc/76/30/34/1015763034.db2.gz OBXAFVQNEPRDHN-LBPRGKRZSA-N 1 1 332.245 3.979 20 30 EHEDMO CC[N@H+](Cc1ccc(Br)c2cccnc12)C[C@@H](C)C#N ZINC000179943244 1015763038 /nfs/dbraw/zinc/76/30/38/1015763038.db2.gz OBXAFVQNEPRDHN-LBPRGKRZSA-N 1 1 332.245 3.979 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)[nH]c2=O)C1 ZINC001266343954 1015781158 /nfs/dbraw/zinc/78/11/58/1015781158.db2.gz BDQJZNRGOSTNRG-INIZCTEOSA-N 1 1 347.503 3.685 20 30 EHEDMO C=C(C)CN1CCC([NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000106245701 1015852004 /nfs/dbraw/zinc/85/20/04/1015852004.db2.gz NXHBJIKFYFEZKN-UHFFFAOYSA-N 1 1 330.444 3.866 20 30 EHEDMO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000343741249 1032133779 /nfs/dbraw/zinc/13/37/79/1032133779.db2.gz ADCPUJRBODBEPJ-LBPRGKRZSA-N 1 1 328.382 3.558 20 30 EHEDMO C=CCC[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000275090793 1015973863 /nfs/dbraw/zinc/97/38/63/1015973863.db2.gz BBNHIXRDUZUXSC-RAFMOHDBSA-N 1 1 326.484 3.868 20 30 EHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1Cl)C2 ZINC001204437775 1016098930 /nfs/dbraw/zinc/09/89/30/1016098930.db2.gz OKWDLLOBXQKYCB-FUHWJXTLSA-N 1 1 339.838 3.805 20 30 EHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1Cl)C2 ZINC001204437775 1016098941 /nfs/dbraw/zinc/09/89/41/1016098941.db2.gz OKWDLLOBXQKYCB-FUHWJXTLSA-N 1 1 339.838 3.805 20 30 EHEDMO CCc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000026191041 1032139176 /nfs/dbraw/zinc/13/91/76/1032139176.db2.gz HNSUDWAAOGQCRX-CQSZACIVSA-N 1 1 339.439 3.790 20 30 EHEDMO CCc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000026191041 1032139190 /nfs/dbraw/zinc/13/91/90/1032139190.db2.gz HNSUDWAAOGQCRX-CQSZACIVSA-N 1 1 339.439 3.790 20 30 EHEDMO C=CCCCCCCCC[N@@H+]1CC[C@@H]2OCCN(C(C)=O)[C@H]2CC1 ZINC001209442370 1016297308 /nfs/dbraw/zinc/29/73/08/1016297308.db2.gz HAMYGQCVXVPZOY-PMACEKPBSA-N 1 1 336.520 3.615 20 30 EHEDMO C=C(C)Cn1c(CCCC)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460951301 1032147247 /nfs/dbraw/zinc/14/72/47/1032147247.db2.gz KCQDGNIWVHFKTR-DLBZAZTESA-N 1 1 333.524 3.506 20 30 EHEDMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(N2CCCC2=O)cc1 ZINC000181382982 1016414498 /nfs/dbraw/zinc/41/44/98/1016414498.db2.gz CSSZCUCLEADKLG-AWEZNQCLSA-N 1 1 337.398 3.675 20 30 EHEDMO N#CCCN(C(=O)C[N@H+]1CCCC12CCCCC2)c1ccccc1 ZINC000340239370 1016766968 /nfs/dbraw/zinc/76/69/68/1016766968.db2.gz ZNPGVJPFSBXLCE-UHFFFAOYSA-N 1 1 325.456 3.732 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(C2(c3ccc(C)cc3)CCOCC2)no1 ZINC000904722031 1032194904 /nfs/dbraw/zinc/19/49/04/1032194904.db2.gz QGPDINBBYMDSGX-QGZVFWFLSA-N 1 1 341.455 3.831 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459488974 1032210924 /nfs/dbraw/zinc/21/09/24/1032210924.db2.gz WTQMDZNFWWHKKM-SFHVURJKSA-N 1 1 340.467 3.735 20 30 EHEDMO C=C(C)C[NH+]1CCC(NCc2cc(F)cc(Br)c2)CC1 ZINC000449120598 1032216163 /nfs/dbraw/zinc/21/61/63/1032216163.db2.gz DKXIUJDVKWYLLD-UHFFFAOYSA-N 1 1 341.268 3.718 20 30 EHEDMO C=CCC1(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CCCC1 ZINC000449158848 1032272733 /nfs/dbraw/zinc/27/27/33/1032272733.db2.gz VQQPQSTYLIGDHG-UHFFFAOYSA-N 1 1 326.484 3.857 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459645049 1032364628 /nfs/dbraw/zinc/36/46/28/1032364628.db2.gz GGVNNPBXDNBBRE-AWEZNQCLSA-N 1 1 344.402 3.801 20 30 EHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C1CC(C)(C)C1 ZINC000459744447 1032459502 /nfs/dbraw/zinc/45/95/02/1032459502.db2.gz RHVUGSZJNQIFIQ-AWEZNQCLSA-N 1 1 345.512 3.997 20 30 EHEDMO C[C@H]([N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1(C)CC1 ZINC000177246438 1017605134 /nfs/dbraw/zinc/60/51/34/1017605134.db2.gz GPNOSKFZAJTNMW-ZDUSSCGKSA-N 1 1 345.512 3.948 20 30 EHEDMO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000472744413 1017681409 /nfs/dbraw/zinc/68/14/09/1017681409.db2.gz CIUMUQNGZJJFET-MOPGFXCFSA-N 1 1 334.463 3.996 20 30 EHEDMO C[C@@H]1CO[C@@H](C)C[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000472744413 1017681418 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EHEDMO C[C@H]1C[C@@H]1c1noc(CC2CC[NH+](Cc3ccccc3C#N)CC2)n1 ZINC000593077175 1032772051 /nfs/dbraw/zinc/77/20/51/1032772051.db2.gz OHXZQIVDELAMHX-KSSFIOAISA-N 1 1 336.439 3.519 20 30 EHEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000610391306 1018706698 /nfs/dbraw/zinc/70/66/98/1018706698.db2.gz UKIQPCGMVCFTMW-HXUWFJFHSA-N 1 1 333.435 3.896 20 30 EHEDMO C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000580196648 1018772409 /nfs/dbraw/zinc/77/24/09/1018772409.db2.gz XLNAYCCDFDKBPH-DNVCBOLYSA-N 1 1 331.423 3.574 20 30 EHEDMO CCCC[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCc2ncsc2C1 ZINC000594016542 1032781630 /nfs/dbraw/zinc/78/16/30/1032781630.db2.gz ZDGIDYPQYQXULB-MRXNPFEDSA-N 1 1 326.469 3.569 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(C#N)c1F ZINC000398036792 1018957821 /nfs/dbraw/zinc/95/78/21/1018957821.db2.gz QDKGZXBCMMNSDR-JXFKEZNVSA-N 1 1 337.442 3.698 20 30 EHEDMO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C#N)c1F ZINC000398036792 1018957829 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EHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803391 1019264853 /nfs/dbraw/zinc/26/48/53/1019264853.db2.gz XUAVWPQDIFTCCK-GDBMZVCRSA-N 1 1 331.485 3.616 20 30 EHEDMO C=CCC[N@H+](C)CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000467283346 1019368952 /nfs/dbraw/zinc/36/89/52/1019368952.db2.gz IRJFODIXZRHOSV-OAQYLSRUSA-N 1 1 340.442 3.881 20 30 EHEDMO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000513228599 1019425218 /nfs/dbraw/zinc/42/52/18/1019425218.db2.gz LNNURVILIRRRFZ-JXFKEZNVSA-N 1 1 333.435 3.970 20 30 EHEDMO COc1ccc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)cc1OCCCC#N ZINC000580647938 1019793040 /nfs/dbraw/zinc/79/30/40/1019793040.db2.gz WJTNGKNMBXMODS-INIZCTEOSA-N 1 1 344.455 3.521 20 30 EHEDMO COc1ccc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)cc1OCCCC#N ZINC000580647938 1019793056 /nfs/dbraw/zinc/79/30/56/1019793056.db2.gz WJTNGKNMBXMODS-INIZCTEOSA-N 1 1 344.455 3.521 20 30 EHEDMO C=CCOc1ccccc1C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000513619562 1019878716 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EHEDMO COCCCC1(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)CCC1 ZINC000897595661 1032886403 /nfs/dbraw/zinc/88/64/03/1032886403.db2.gz FFQCLOFDFUDDSU-LJQANCHMSA-N 1 1 328.456 3.528 20 30 EHEDMO CC[N@@H+](Cc1cc(C(=O)OC)c(C)[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602446064 1032891603 /nfs/dbraw/zinc/89/16/03/1032891603.db2.gz ZYFXRYUSHIPLGQ-AWEZNQCLSA-N 1 1 325.412 3.565 20 30 EHEDMO CN(C)C(=O)Sc1ccc(CO[NH+]=C(N)C2CCCCC2)cc1 ZINC000176858688 1032891790 /nfs/dbraw/zinc/89/17/90/1032891790.db2.gz BXHPXTNQWFXERA-UHFFFAOYSA-N 1 1 335.473 3.829 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@]2(CCOC2)O1 ZINC000280357244 1020341388 /nfs/dbraw/zinc/34/13/88/1020341388.db2.gz JLFYJUAWVOTUNM-HTAPYJJXSA-N 1 1 348.446 3.605 20 30 EHEDMO O=C1C=COC2(CC[NH+](Cc3cc4ccnc(Cl)c4s3)CC2)C1 ZINC000897599688 1032905050 /nfs/dbraw/zinc/90/50/50/1032905050.db2.gz RLJMVZJGGBMYNG-UHFFFAOYSA-N 1 1 348.855 3.787 20 30 EHEDMO C=CCCCNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000684154656 1020491897 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N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000581543837 1021070294 /nfs/dbraw/zinc/07/02/94/1021070294.db2.gz XLFIPZGSPIKOOQ-IBGZPJMESA-N 1 1 343.434 3.618 20 30 EHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000076735308 1123516946 /nfs/dbraw/zinc/51/69/46/1123516946.db2.gz QMFPVEVSPLWQQA-CYBMUJFWSA-N 1 1 339.277 3.983 20 30 EHEDMO COc1ccc(C[N@H+](C)CC#Cc2ccc(Cl)cc2)c(OC)c1 ZINC000426364793 1021387169 /nfs/dbraw/zinc/38/71/69/1021387169.db2.gz IPLSYYXUFHOGNQ-UHFFFAOYSA-N 1 1 329.827 3.841 20 30 EHEDMO COc1ccc(C[N@@H+](C)CC#Cc2ccc(Cl)cc2)c(OC)c1 ZINC000426364793 1021387186 /nfs/dbraw/zinc/38/71/86/1021387186.db2.gz IPLSYYXUFHOGNQ-UHFFFAOYSA-N 1 1 329.827 3.841 20 30 EHEDMO COC(=O)c1ccc(C[N@H+](C)CC#Cc2ccc(Cl)cc2)cc1 ZINC000426372763 1021400310 /nfs/dbraw/zinc/40/03/10/1021400310.db2.gz PGPJRZMRKISHAI-UHFFFAOYSA-N 1 1 327.811 3.610 20 30 EHEDMO COC(=O)c1ccc(C[N@@H+](C)CC#Cc2ccc(Cl)cc2)cc1 ZINC000426372763 1021400313 /nfs/dbraw/zinc/40/03/13/1021400313.db2.gz PGPJRZMRKISHAI-UHFFFAOYSA-N 1 1 327.811 3.610 20 30 EHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000507688957 1021443414 /nfs/dbraw/zinc/44/34/14/1021443414.db2.gz QDQUUVSIGPINDK-QGZVFWFLSA-N 1 1 344.499 3.720 20 30 EHEDMO COc1ccc(CNCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1C#N ZINC000237152238 1021659730 /nfs/dbraw/zinc/65/97/30/1021659730.db2.gz IQXVIKZSSBQTJO-QGZVFWFLSA-N 1 1 337.467 3.567 20 30 EHEDMO COc1ccc(C[NH2+]CC[C@@H](C)N(C)Cc2ccccc2)cc1C#N ZINC000237152238 1021659759 /nfs/dbraw/zinc/65/97/59/1021659759.db2.gz IQXVIKZSSBQTJO-QGZVFWFLSA-N 1 1 337.467 3.567 20 30 EHEDMO C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000664630733 1021819852 /nfs/dbraw/zinc/81/98/52/1021819852.db2.gz UYHGFDUIANKQMH-KSZLIROESA-N 1 1 333.520 3.637 20 30 EHEDMO CCCCC[N@@H+](CC(N)=O)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000506047340 1021821256 /nfs/dbraw/zinc/82/12/56/1021821256.db2.gz KFVHZWIUQSRVHB-UHFFFAOYSA-N 1 1 335.451 3.703 20 30 EHEDMO C=C(C)[C@@H]([NH2+]Cc1cc(C)c(C(=O)OC)[nH]1)c1ccc(F)c(F)c1 ZINC000602618263 1033013797 /nfs/dbraw/zinc/01/37/97/1033013797.db2.gz XDVQVIKQEOENNR-MRXNPFEDSA-N 1 1 334.366 3.795 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCS[C@H]3CCCC[C@H]32)cc1Cl ZINC000437533011 1021926215 /nfs/dbraw/zinc/92/62/15/1021926215.db2.gz BHHXYBQFRLSOMH-CVEARBPZSA-N 1 1 349.887 3.510 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCS[C@H]3CCCC[C@H]32)cc1Cl ZINC000437533011 1021926230 /nfs/dbraw/zinc/92/62/30/1021926230.db2.gz BHHXYBQFRLSOMH-CVEARBPZSA-N 1 1 349.887 3.510 20 30 EHEDMO CCCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]c1 ZINC001270238590 1021981330 /nfs/dbraw/zinc/98/13/30/1021981330.db2.gz ZWDXYIHZTYEFEW-KDURUIRLSA-N 1 1 346.519 3.726 20 30 EHEDMO CCCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]c1 ZINC001270238590 1021981345 /nfs/dbraw/zinc/98/13/45/1021981345.db2.gz ZWDXYIHZTYEFEW-KDURUIRLSA-N 1 1 346.519 3.726 20 30 EHEDMO CC(C)C[N@@H+](CC(=O)N1[C@@H](C)CCC[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000520173074 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EHEDMO N#Cc1nc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1Cl ZINC000067370451 1022399376 /nfs/dbraw/zinc/39/93/76/1022399376.db2.gz LFXZOWYOYLMSHP-ZDUSSCGKSA-N 1 1 346.887 3.992 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000895018716 1022403388 /nfs/dbraw/zinc/40/33/88/1022403388.db2.gz UKPMDIZDQDVNJN-QILLFSRXSA-N 1 1 343.471 3.854 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2cccc(NCc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000151189402 1022465073 /nfs/dbraw/zinc/46/50/73/1022465073.db2.gz DQVDWJVOBKOWDQ-CALCHBBNSA-N 1 1 335.451 3.780 20 30 EHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000303425981 1022474107 /nfs/dbraw/zinc/47/41/07/1022474107.db2.gz ZRLSTDHISYNENS-HXUWFJFHSA-N 1 1 337.467 3.896 20 30 EHEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000303425981 1022474118 /nfs/dbraw/zinc/47/41/18/1022474118.db2.gz ZRLSTDHISYNENS-HXUWFJFHSA-N 1 1 337.467 3.896 20 30 EHEDMO Cc1c2cc(F)ccc2oc1CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000328712732 1022474221 /nfs/dbraw/zinc/47/42/21/1022474221.db2.gz BSWIFPNPTPBSRI-CVEARBPZSA-N 1 1 345.418 3.511 20 30 EHEDMO N#C[C@H]1CC[C@H]([N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)C1 ZINC000328804565 1022491662 /nfs/dbraw/zinc/49/16/62/1022491662.db2.gz CUHDGIUBZRCUSK-CQSHLORDSA-N 1 1 348.450 3.782 20 30 EHEDMO Cc1ccc(-c2nnco2)cc1NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000328787682 1022501407 /nfs/dbraw/zinc/50/14/07/1022501407.db2.gz PCKROKAPHVBHPM-CQSZACIVSA-N 1 1 328.416 3.898 20 30 EHEDMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000328795013 1022503346 /nfs/dbraw/zinc/50/33/46/1022503346.db2.gz SUZQMJPTAWFAGG-HOTGVXAUSA-N 1 1 332.444 3.707 20 30 EHEDMO Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000328888828 1022527418 /nfs/dbraw/zinc/52/74/18/1022527418.db2.gz PXEJEGGTDYSDDN-BOFPYLFWSA-N 1 1 340.471 3.542 20 30 EHEDMO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CC[C@@H](C#N)C1 ZINC000330434277 1022577658 /nfs/dbraw/zinc/57/76/58/1022577658.db2.gz PRGFNHRZRWKMFX-MNOVXSKESA-N 1 1 326.227 3.556 20 30 EHEDMO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CC[C@@H](C#N)C1 ZINC000330434277 1022577668 /nfs/dbraw/zinc/57/76/68/1022577668.db2.gz PRGFNHRZRWKMFX-MNOVXSKESA-N 1 1 326.227 3.556 20 30 EHEDMO CC(C)c1ccc(C[N@@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000058889811 1033061255 /nfs/dbraw/zinc/06/12/55/1033061255.db2.gz OQZDQUDDFGSZRC-UZLBHIALSA-N 1 1 329.488 3.685 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000330897858 1022709862 /nfs/dbraw/zinc/70/98/62/1022709862.db2.gz UOJCAHCQCUDMFD-QLFBSQMISA-N 1 1 346.500 3.651 20 30 EHEDMO CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000438502598 1022714485 /nfs/dbraw/zinc/71/44/85/1022714485.db2.gz COQMZTDLWMQMIV-ZWKOTPCHSA-N 1 1 327.472 3.671 20 30 EHEDMO COc1cccc(C2=CC[N@@H+](CCOc3ccc(C#N)cc3)CC2)c1 ZINC000476253942 1033074740 /nfs/dbraw/zinc/07/47/40/1033074740.db2.gz FZOMINOEXCBPAK-UHFFFAOYSA-N 1 1 334.419 3.735 20 30 EHEDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000330918266 1022719362 /nfs/dbraw/zinc/71/93/62/1022719362.db2.gz XAPBBMKMAJDWAR-OCCSQVGLSA-N 1 1 333.432 3.680 20 30 EHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000330924181 1022720253 /nfs/dbraw/zinc/72/02/53/1022720253.db2.gz UIWVZPIBKJVZND-LSDHHAIUSA-N 1 1 348.447 3.562 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000426070088 1022812270 /nfs/dbraw/zinc/81/22/70/1022812270.db2.gz NAWFDXGBASDHFQ-CRAIPNDOSA-N 1 1 338.455 3.992 20 30 EHEDMO C=CCN(CC1CCCCC1)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000112214879 1022853801 /nfs/dbraw/zinc/85/38/01/1022853801.db2.gz RKDSJPSVAKELIY-MRXNPFEDSA-N 1 1 332.492 3.606 20 30 EHEDMO COc1ccc(C#N)cc1C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000438645554 1022894844 /nfs/dbraw/zinc/89/48/44/1022894844.db2.gz CSXLUMOCDBNHHA-UHFFFAOYSA-N 1 1 344.418 3.732 20 30 EHEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc(C#N)cc1Cl ZINC000426139036 1022974489 /nfs/dbraw/zinc/97/44/89/1022974489.db2.gz MJVCZTGQSVHJRR-AWEZNQCLSA-N 1 1 348.878 3.988 20 30 EHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000426145335 1022986995 /nfs/dbraw/zinc/98/69/95/1022986995.db2.gz ZGXKXZQGSNDNFM-TZMCWYRMSA-N 1 1 334.851 3.548 20 30 EHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000441468154 1023033302 /nfs/dbraw/zinc/03/33/02/1023033302.db2.gz GGTHUWOSIRQDIQ-MDNKFWRPSA-N 1 1 329.484 3.808 20 30 EHEDMO C=C(CC)CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000459081954 1023243839 /nfs/dbraw/zinc/24/38/39/1023243839.db2.gz RFTRTVAUWMNANP-IEBWSBKVSA-N 1 1 329.488 3.647 20 30 EHEDMO CC(C)(C)OC(=O)NCc1ccc(C[N@H+](CCC#N)CC2CC2)cc1 ZINC000891937259 1023454571 /nfs/dbraw/zinc/45/45/71/1023454571.db2.gz DRAMEPDUXVBYIM-UHFFFAOYSA-N 1 1 343.471 3.837 20 30 EHEDMO CC(C)(C)OC(=O)NCc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000891937259 1023454576 /nfs/dbraw/zinc/45/45/76/1023454576.db2.gz DRAMEPDUXVBYIM-UHFFFAOYSA-N 1 1 343.471 3.837 20 30 EHEDMO C[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)[C@H]1c1cccc(F)c1 ZINC000472326565 1033158916 /nfs/dbraw/zinc/15/89/16/1033158916.db2.gz ZOENOILBKZJHJC-HNAYVOBHSA-N 1 1 343.446 3.551 20 30 EHEDMO C[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)[C@H]1c1cccc(F)c1 ZINC000472326565 1033158927 /nfs/dbraw/zinc/15/89/27/1033158927.db2.gz ZOENOILBKZJHJC-HNAYVOBHSA-N 1 1 343.446 3.551 20 30 EHEDMO Cc1c([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)nnn1-c1ccccc1 ZINC000610830383 1023779742 /nfs/dbraw/zinc/77/97/42/1023779742.db2.gz POCADIKAMNUHRV-GJZGRUSLSA-N 1 1 331.423 3.859 20 30 EHEDMO CCCCC[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610860971 1023803618 /nfs/dbraw/zinc/80/36/18/1023803618.db2.gz WTOZNRBDSOIKDT-MOPGFXCFSA-N 1 1 330.472 3.537 20 30 EHEDMO C=CC[C@@H](C)NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000342080779 1023886687 /nfs/dbraw/zinc/88/66/87/1023886687.db2.gz BHBMWLFNTTXKBP-DLBZAZTESA-N 1 1 329.488 3.682 20 30 EHEDMO COc1ccc(CN2CCC[N@@H+](Cc3ccccc3C)CC2)cc1C#N ZINC000610991947 1023971444 /nfs/dbraw/zinc/97/14/44/1023971444.db2.gz VIQMQFKSGBKBBO-UHFFFAOYSA-N 1 1 349.478 3.583 20 30 EHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)ccn1 ZINC000610993917 1023977953 /nfs/dbraw/zinc/97/79/53/1023977953.db2.gz HNWPVEUEOSUMPT-OAHLLOKOSA-N 1 1 334.448 3.943 20 30 EHEDMO CC(C)C[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CC1 ZINC000170984062 1024160054 /nfs/dbraw/zinc/16/00/54/1024160054.db2.gz DVESDAKPOPUXPN-HNNXBMFYSA-N 1 1 345.512 3.997 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000749811081 1024217201 /nfs/dbraw/zinc/21/72/01/1024217201.db2.gz NUWQUKQSHKIHEO-WMLDXEAASA-N 1 1 329.444 3.560 20 30 EHEDMO Cc1nc(CC2CC2)oc1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000330004861 1024283643 /nfs/dbraw/zinc/28/36/43/1024283643.db2.gz CWELVKPYDXLYBI-OKILXGFUSA-N 1 1 347.503 3.997 20 30 EHEDMO C[C@H](NC(=O)C1CCC(NC(=O)C2CC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000330027007 1024294769 /nfs/dbraw/zinc/29/47/69/1024294769.db2.gz MJNXHIOWHIKNIS-IGEOTXOUSA-N 1 1 333.476 3.519 20 30 EHEDMO C[C@@H]1CN(Cc2cccc(C#N)c2)[C@@H](C)C[N@H+]1Cc1cccc(C#N)c1 ZINC000441651263 1024303616 /nfs/dbraw/zinc/30/36/16/1024303616.db2.gz LPSJBHRYTDWDQP-HDICACEKSA-N 1 1 344.462 3.525 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)[C@@H](C)CN1Cc1cccc(C#N)c1 ZINC000441651263 1024303644 /nfs/dbraw/zinc/30/36/44/1024303644.db2.gz LPSJBHRYTDWDQP-HDICACEKSA-N 1 1 344.462 3.525 20 30 EHEDMO CC[C@H](C)n1ncc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)c1C ZINC000330123149 1024326368 /nfs/dbraw/zinc/32/63/68/1024326368.db2.gz KQTWXRNUPLTEFY-HNNXBMFYSA-N 1 1 347.507 3.658 20 30 EHEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000113539913 1024341762 /nfs/dbraw/zinc/34/17/62/1024341762.db2.gz GFXCNWYPOHZVLA-SFHVURJKSA-N 1 1 342.487 3.874 20 30 EHEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000330188546 1024347526 /nfs/dbraw/zinc/34/75/26/1024347526.db2.gz LEWPBNSYNKALMX-RCCFBDPRSA-N 1 1 330.476 3.539 20 30 EHEDMO CC(C)[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000550558210 1024353125 /nfs/dbraw/zinc/35/31/25/1024353125.db2.gz DKKQPDJKJVVHHL-QGZVFWFLSA-N 1 1 325.374 3.804 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC000434739480 1024391656 /nfs/dbraw/zinc/39/16/56/1024391656.db2.gz WCOYMNXECQIQCO-IBGZPJMESA-N 1 1 337.398 3.863 20 30 EHEDMO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000280953349 1024483204 /nfs/dbraw/zinc/48/32/04/1024483204.db2.gz XSSVNNGNAGAEPE-CUUWFGFTSA-N 1 1 340.511 3.753 20 30 EHEDMO C[C@@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000346167786 1024483213 /nfs/dbraw/zinc/48/32/13/1024483213.db2.gz ZUDXREPZFDRAAL-KSZLIROESA-N 1 1 347.462 3.681 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H](O)CC ZINC000114187223 1024512391 /nfs/dbraw/zinc/51/23/91/1024512391.db2.gz ILOLBMXLRPGNDQ-IAGOWNOFSA-N 1 1 348.512 3.529 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H](O)CC ZINC000114187223 1024512399 /nfs/dbraw/zinc/51/23/99/1024512399.db2.gz ILOLBMXLRPGNDQ-IAGOWNOFSA-N 1 1 348.512 3.529 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC(C)(C)C1 ZINC000434985444 1024539877 /nfs/dbraw/zinc/53/98/77/1024539877.db2.gz AUKNOPLBYNETDX-INIZCTEOSA-N 1 1 337.471 3.727 20 30 EHEDMO C=CCSc1ccccc1C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000548582391 1024541976 /nfs/dbraw/zinc/54/19/76/1024541976.db2.gz WVIKWWJLHZGKLN-SFHVURJKSA-N 1 1 338.476 3.881 20 30 EHEDMO C=CCSc1ccccc1C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000548582391 1024541983 /nfs/dbraw/zinc/54/19/83/1024541983.db2.gz WVIKWWJLHZGKLN-SFHVURJKSA-N 1 1 338.476 3.881 20 30 EHEDMO CSc1ccccc1OC[C@@H](O)C[N@@H+](CC1(CC#N)CC1)C(C)C ZINC000602843835 1033219100 /nfs/dbraw/zinc/21/91/00/1033219100.db2.gz IHCDSBACNBUYHV-INIZCTEOSA-N 1 1 348.512 3.552 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)N(CCC#N)CC2CC2)cc1)C(C)C ZINC000103437602 1024616059 /nfs/dbraw/zinc/61/60/59/1024616059.db2.gz VYUFSLNNCTYQNB-UHFFFAOYSA-N 1 1 327.472 3.683 20 30 EHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)n1 ZINC000895564680 1024616424 /nfs/dbraw/zinc/61/64/24/1024616424.db2.gz ZBIUJJGKZANBSI-QGZVFWFLSA-N 1 1 343.434 3.723 20 30 EHEDMO Cc1ccc(C)c([C@@H]2CCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)c1 ZINC000474235065 1024624060 /nfs/dbraw/zinc/62/40/60/1024624060.db2.gz BRUMZXXWJOPPKF-NRFANRHFSA-N 1 1 347.462 3.628 20 30 EHEDMO C[N@H+](Cc1ccc(C#N)cc1F)C1CCN(CCC(F)(F)F)CC1 ZINC000449785549 1033223856 /nfs/dbraw/zinc/22/38/56/1033223856.db2.gz HFGWWDDIVLFBEP-UHFFFAOYSA-N 1 1 343.368 3.546 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1F)C1CCN(CCC(F)(F)F)CC1 ZINC000449785549 1033223866 /nfs/dbraw/zinc/22/38/66/1033223866.db2.gz HFGWWDDIVLFBEP-UHFFFAOYSA-N 1 1 343.368 3.546 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)c(F)c1 ZINC000602886889 1033235771 /nfs/dbraw/zinc/23/57/71/1033235771.db2.gz KEWFWFYEAZBGLF-KRWDZBQOSA-N 1 1 332.382 3.630 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)[C@H](C)CO1 ZINC000508026232 1024855228 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20 30 EHEDMO COc1ccc(C)cc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055171801 1041139779 /nfs/dbraw/zinc/13/97/79/1041139779.db2.gz MFCUQQTVWSYZQM-UHFFFAOYSA-N 1 1 349.478 3.583 20 30 EHEDMO COc1ccc(C)cc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055171801 1041139782 /nfs/dbraw/zinc/13/97/82/1041139782.db2.gz MFCUQQTVWSYZQM-UHFFFAOYSA-N 1 1 349.478 3.583 20 30 EHEDMO COc1ccc(C)cc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055171801 1041139787 /nfs/dbraw/zinc/13/97/87/1041139787.db2.gz MFCUQQTVWSYZQM-UHFFFAOYSA-N 1 1 349.478 3.583 20 30 EHEDMO C=C(C)[C@H]([NH2+]CC(=O)NCc1ccccc1C)c1ccc(F)c(F)c1 ZINC000481613587 1041141460 /nfs/dbraw/zinc/14/14/60/1041141460.db2.gz WTDOLMAUAOXXKS-FQEVSTJZSA-N 1 1 344.405 3.796 20 30 EHEDMO Cc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)ccc1C#N ZINC000511779996 1041604259 /nfs/dbraw/zinc/60/42/59/1041604259.db2.gz WSRIXZSHMXFBEB-YPAWHYETSA-N 1 1 332.447 3.871 20 30 EHEDMO Cc1[nH+]c2ccc(Br)cn2c1Nc1ccc(N)c(C#N)c1 ZINC001213433921 1041729189 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C=CCCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000279089621 1043337812 /nfs/dbraw/zinc/33/78/12/1043337812.db2.gz FYUWUVVKSUNLTA-MJGOQNOKSA-N 1 1 329.488 3.647 20 30 EHEDMO C=C[C@](C)(O)CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000279160145 1043475745 /nfs/dbraw/zinc/47/57/45/1043475745.db2.gz GDPGDSXPLPAKAR-FQEVSTJZSA-N 1 1 330.472 3.717 20 30 EHEDMO COc1c(F)cccc1C[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001143530217 1043697260 /nfs/dbraw/zinc/69/72/60/1043697260.db2.gz OPBAXITWSVTFBF-KRWDZBQOSA-N 1 1 340.398 3.749 20 30 EHEDMO COc1c(F)cccc1C[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001143530217 1043697265 /nfs/dbraw/zinc/69/72/65/1043697265.db2.gz OPBAXITWSVTFBF-KRWDZBQOSA-N 1 1 340.398 3.749 20 30 EHEDMO CCC(C)(C)[N@@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000512282962 1044541302 /nfs/dbraw/zinc/54/13/02/1044541302.db2.gz OFLAWFOSXJHGPR-CQSZACIVSA-N 1 1 333.501 3.997 20 30 EHEDMO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CC[C@H](C)[C@H]2CC)c1=S ZINC000184983554 1126728449 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C=CCn1cc(C[NH2+][C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)nn1 ZINC000624003833 1127230967 /nfs/dbraw/zinc/23/09/67/1127230967.db2.gz LBIJZOZPJYGWHQ-QGZVFWFLSA-N 1 1 341.846 3.766 20 30 EHEDMO C=CCn1c(-c2ccccn2)nn(C[N@@H+](CC)C[C@H](C)CC)c1=S ZINC000765061255 1127570859 /nfs/dbraw/zinc/57/08/59/1127570859.db2.gz LRYJZQRHGQJAQD-OAHLLOKOSA-N 1 1 345.516 3.988 20 30 EHEDMO C=CCn1c(-c2ccccn2)nn(C[N@H+](CC)C[C@H](C)CC)c1=S ZINC000765061255 1127570861 /nfs/dbraw/zinc/57/08/61/1127570861.db2.gz LRYJZQRHGQJAQD-OAHLLOKOSA-N 1 1 345.516 3.988 20 30 EHEDMO N#Cc1cc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000921619023 1127813809 /nfs/dbraw/zinc/81/38/09/1127813809.db2.gz KQTZWCFCDACFJV-QGZVFWFLSA-N 1 1 325.481 3.622 20 30 EHEDMO N#Cc1cc(C[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)cs1 ZINC000921619023 1127813819 /nfs/dbraw/zinc/81/38/19/1127813819.db2.gz KQTZWCFCDACFJV-QGZVFWFLSA-N 1 1 325.481 3.622 20 30 EHEDMO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000282207000 1128071081 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Cc1nnc(NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c(C#N)c1C ZINC000301126711 1128574104 /nfs/dbraw/zinc/57/41/04/1128574104.db2.gz WVOQDFBKAVNDAT-HNNXBMFYSA-N 1 1 349.482 3.809 20 30 EHEDMO N#Cc1cccc(Cl)c1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000301201159 1128578943 /nfs/dbraw/zinc/57/89/43/1128578943.db2.gz MWQZKMXXWZYZTR-UHFFFAOYSA-N 1 1 341.842 3.656 20 30 EHEDMO CC(=O)c1ccc(C#N)c(NCc2ccc(C)[nH+]c2N2CCCC2)c1 ZINC000302119264 1128620013 /nfs/dbraw/zinc/62/00/13/1128620013.db2.gz FJBVAEHCEDEOGE-UHFFFAOYSA-N 1 1 334.423 3.677 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@H](CNc1snc(Cl)c1C#N)C1CC1 ZINC000302406300 1128632204 /nfs/dbraw/zinc/63/22/04/1128632204.db2.gz HSDRBZZVRFKLNX-OAHLLOKOSA-N 1 1 346.887 3.991 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@H](CNc1ncc(C#N)cc1Cl)C1CC1 ZINC000302437520 1128632679 /nfs/dbraw/zinc/63/26/79/1128632679.db2.gz LVCYIOOICQBXHK-GOSISDBHSA-N 1 1 340.858 3.929 20 30 EHEDMO N#Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1F ZINC000404054583 1128674631 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EHEDMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2cn3ccccc3c2C#N)cc1 ZINC000109840910 1120126848 /nfs/dbraw/zinc/12/68/48/1120126848.db2.gz VWYSVTATKDCGQB-MRXNPFEDSA-N 1 1 333.435 3.883 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc(F)c(F)c2)CC1 ZINC000076199756 1128909571 /nfs/dbraw/zinc/90/95/71/1128909571.db2.gz YITDEOMWOZIJLX-UHFFFAOYSA-N 1 1 327.378 3.549 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2ccc(F)c(F)c2)CC1 ZINC000076199756 1128909573 /nfs/dbraw/zinc/90/95/73/1128909573.db2.gz YITDEOMWOZIJLX-UHFFFAOYSA-N 1 1 327.378 3.549 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000595876145 1120362317 /nfs/dbraw/zinc/36/23/17/1120362317.db2.gz DTMWNDUOVBMZKO-QAPCUYQASA-N 1 1 333.435 3.547 20 30 EHEDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCCSCC#N ZINC000185938247 1120436216 /nfs/dbraw/zinc/43/62/16/1120436216.db2.gz PDFXDVQFOLKCLD-JYJNAYRXSA-N 1 1 338.517 3.608 20 30 EHEDMO C/C(=C\c1ccccc1)C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000494240335 1120513594 /nfs/dbraw/zinc/51/35/94/1120513594.db2.gz DNYSFAUCRWJRRU-UMADGWCESA-N 1 1 339.483 3.753 20 30 EHEDMO C=CC[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000494631734 1120707081 /nfs/dbraw/zinc/70/70/81/1120707081.db2.gz MRKRQVPQHPDREX-HNNXBMFYSA-N 1 1 327.255 3.775 20 30 EHEDMO C=CC[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000494631734 1120707084 /nfs/dbraw/zinc/70/70/84/1120707084.db2.gz MRKRQVPQHPDREX-HNNXBMFYSA-N 1 1 327.255 3.775 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000192094759 1120713338 /nfs/dbraw/zinc/71/33/38/1120713338.db2.gz REHUMNMPLFDVPZ-OAHLLOKOSA-N 1 1 339.414 3.937 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000192094759 1120713341 /nfs/dbraw/zinc/71/33/41/1120713341.db2.gz REHUMNMPLFDVPZ-OAHLLOKOSA-N 1 1 339.414 3.937 20 30 EHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H](O)CCc3ccccc3)CC2)cc1 ZINC000542512265 1120860988 /nfs/dbraw/zinc/86/09/88/1120860988.db2.gz WHMKREYYTZVJKD-JOCHJYFZSA-N 1 1 332.447 3.641 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccc(C/N=C/c3ccccc3O)cc2)C[C@H](C)O1 ZINC000914866228 1121021527 /nfs/dbraw/zinc/02/15/27/1121021527.db2.gz IPQBPNBHXAEQHV-BBDDYXILSA-N 1 1 338.451 3.621 20 30 EHEDMO CCc1ccccc1N[NH+]=Cc1ccc(N(CC)CCO)cc1C ZINC000915051823 1121151688 /nfs/dbraw/zinc/15/16/88/1121151688.db2.gz UFWLGEOSNQZUQG-UHFFFAOYSA-N 1 1 325.456 3.822 20 30 EHEDMO C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000032489955 1121534286 /nfs/dbraw/zinc/53/42/86/1121534286.db2.gz DIJDCIPSXCIRGY-MRXNPFEDSA-N 1 1 339.414 3.765 20 30 EHEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000032489955 1121534291 /nfs/dbraw/zinc/53/42/91/1121534291.db2.gz DIJDCIPSXCIRGY-MRXNPFEDSA-N 1 1 339.414 3.765 20 30 EHEDMO N#CC1(CCC[N@@H+](CCN2CCCCCC2)C2CCC2)CCOCC1 ZINC000347446954 1121604813 /nfs/dbraw/zinc/60/48/13/1121604813.db2.gz AARJKTPLYIMXFB-UHFFFAOYSA-N 1 1 347.547 3.817 20 30 EHEDMO N#CC1(CCCN(CC[NH+]2CCCCCC2)C2CCC2)CCOCC1 ZINC000347446954 1121604818 /nfs/dbraw/zinc/60/48/18/1121604818.db2.gz AARJKTPLYIMXFB-UHFFFAOYSA-N 1 1 347.547 3.817 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCCCC#N)cc1 ZINC000171739037 1121674538 /nfs/dbraw/zinc/67/45/38/1121674538.db2.gz ZHGJMVIWTPMTOU-QGZVFWFLSA-N 1 1 342.487 3.554 20 30 EHEDMO C[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496877708 1122202855 /nfs/dbraw/zinc/20/28/55/1122202855.db2.gz WQDFBOIEAMFQEH-CVEARBPZSA-N 1 1 337.508 3.799 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@]3(CCCc4ccccc43)C2)cc1 ZINC000763414665 1122232171 /nfs/dbraw/zinc/23/21/71/1122232171.db2.gz YOTKWGKHJHXEBX-GOTSBHOMSA-N 1 1 346.474 3.962 20 30 EHEDMO C=CCOc1cccc(C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000154136818 1122257349 /nfs/dbraw/zinc/25/73/49/1122257349.db2.gz HRGCZNJEBOEEKN-INIZCTEOSA-N 1 1 334.423 3.683 20 30 EHEDMO C#CC[N@H+](C[C@H](O)c1c(F)cccc1F)[C@H]1CCc2ccccc21 ZINC000917119070 1122513240 /nfs/dbraw/zinc/51/32/40/1122513240.db2.gz PWOCXIZKGYSTAO-OALUTQOASA-N 1 1 327.374 3.621 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C)cc1C ZINC000497605631 1122607325 /nfs/dbraw/zinc/60/73/25/1122607325.db2.gz NAKMNPCHWSEORO-FQEVSTJZSA-N 1 1 325.452 3.731 20 30 EHEDMO Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000556058186 1122796768 /nfs/dbraw/zinc/79/67/68/1122796768.db2.gz ZGOIXQRUHOYFQF-INIZCTEOSA-N 1 1 346.434 3.980 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000194973043 1123092329 /nfs/dbraw/zinc/09/23/29/1123092329.db2.gz JEGYFCOEULQTQM-ZDUSSCGKSA-N 1 1 327.815 3.843 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000194973043 1123092334 /nfs/dbraw/zinc/09/23/34/1123092334.db2.gz JEGYFCOEULQTQM-ZDUSSCGKSA-N 1 1 327.815 3.843 20 30 EHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000072828035 1123165362 /nfs/dbraw/zinc/16/53/62/1123165362.db2.gz QFAYWMQBYSYUBD-AWEZNQCLSA-N 1 1 331.485 3.609 20 30 EHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000072828035 1123165363 /nfs/dbraw/zinc/16/53/63/1123165363.db2.gz QFAYWMQBYSYUBD-AWEZNQCLSA-N 1 1 331.485 3.609 20 30 EHEDMO CCNc1ccc(C#N)cc1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000556930580 1123213448 /nfs/dbraw/zinc/21/34/48/1123213448.db2.gz TZMLGAGUFFHWHP-UHFFFAOYSA-N 1 1 328.460 3.583 20 30 EHEDMO COc1ccc(O)c(/C=N\C[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000921261086 1123500893 /nfs/dbraw/zinc/50/08/93/1123500893.db2.gz MIEYUMNBMFGUEY-HBEGMLAUSA-N 1 1 338.451 3.874 20 30 EHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H](O)COc1ccccc1Cl ZINC000195542793 1123552215 /nfs/dbraw/zinc/55/22/15/1123552215.db2.gz BOUAVZGGIQXUPR-MRXNPFEDSA-N 1 1 349.833 3.907 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)COc1ccccc1Cl ZINC000195542793 1123552218 /nfs/dbraw/zinc/55/22/18/1123552218.db2.gz BOUAVZGGIQXUPR-MRXNPFEDSA-N 1 1 349.833 3.907 20 30 EHEDMO Clc1cccc(C#CCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134947918 1123567659 /nfs/dbraw/zinc/56/76/59/1123567659.db2.gz KPFZKMGQBWKSLT-YLJYHZDGSA-N 1 1 328.887 3.640 20 30 EHEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H](O)COc1cccc2ccccc21 ZINC000609487404 1123590302 /nfs/dbraw/zinc/59/03/02/1123590302.db2.gz YQLAPWHOEYVKGH-SFHVURJKSA-N 1 1 340.467 3.841 20 30 EHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)COc1cccc2ccccc21 ZINC000609487404 1123590305 /nfs/dbraw/zinc/59/03/05/1123590305.db2.gz YQLAPWHOEYVKGH-SFHVURJKSA-N 1 1 340.467 3.841 20 30 EHEDMO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000609538948 1123606933 /nfs/dbraw/zinc/60/69/33/1123606933.db2.gz PIURTBKGIDOALB-YOEHRIQHSA-N 1 1 337.414 3.515 20 30 EHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](c2ccco2)C1 ZINC000609540086 1123607564 /nfs/dbraw/zinc/60/75/64/1123607564.db2.gz PNRSPPBYMRGBTC-OCCSQVGLSA-N 1 1 343.814 3.621 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(CNC[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000237700125 1123815365 /nfs/dbraw/zinc/81/53/65/1123815365.db2.gz NPMIXNFRZZOBME-OXJNMPFZSA-N 1 1 329.488 3.578 20 30 EHEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C2CC2)cc1 ZINC000180029276 1123921688 /nfs/dbraw/zinc/92/16/88/1123921688.db2.gz OKUCRCDQBZVYTB-UHFFFAOYSA-N 1 1 347.462 3.559 20 30 EHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)ccc1F ZINC000616176480 1123957871 /nfs/dbraw/zinc/95/78/71/1123957871.db2.gz JFMZRTFFQKDHDU-QGZVFWFLSA-N 1 1 348.425 3.959 20 30 EHEDMO CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000246305596 1124080653 /nfs/dbraw/zinc/08/06/53/1124080653.db2.gz VQUMDJHGOQVVKF-HUUCEWRRSA-N 1 1 331.485 3.609 20 30 EHEDMO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cc(C#N)ccc1Br ZINC000617217462 1124100936 /nfs/dbraw/zinc/10/09/36/1124100936.db2.gz AFSMDAJWUHQCLN-SECBINFHSA-N 1 1 334.217 3.776 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001212325143 1124665331 /nfs/dbraw/zinc/66/53/31/1124665331.db2.gz KHFXMAJUQCNBBU-SFHVURJKSA-N 1 1 334.423 3.947 20 30 EHEDMO Cc1cc(C[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)ccc1C#N ZINC000618191992 1125017663 /nfs/dbraw/zinc/01/76/63/1125017663.db2.gz CIMPZGCUFOFDIZ-NRFANRHFSA-N 1 1 333.479 3.869 20 30 EHEDMO Cc1cc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000618191992 1125017667 /nfs/dbraw/zinc/01/76/67/1125017667.db2.gz CIMPZGCUFOFDIZ-NRFANRHFSA-N 1 1 333.479 3.869 20 30 EHEDMO Cc1cc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000618191992 1125017675 /nfs/dbraw/zinc/01/76/75/1125017675.db2.gz CIMPZGCUFOFDIZ-NRFANRHFSA-N 1 1 333.479 3.869 20 30 EHEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000618742588 1125178768 /nfs/dbraw/zinc/17/87/68/1125178768.db2.gz ZLNMESIBEVPRCF-KRWDZBQOSA-N 1 1 332.432 3.854 20 30 EHEDMO CCC[N@H+](Cc1ccnc(C#N)c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000618778767 1125195832 /nfs/dbraw/zinc/19/58/32/1125195832.db2.gz YNYPPEXXCPNREA-MRXNPFEDSA-N 1 1 336.439 3.501 20 30 EHEDMO CCC[N@@H+](Cc1ccnc(C#N)c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000618778767 1125195834 /nfs/dbraw/zinc/19/58/34/1125195834.db2.gz YNYPPEXXCPNREA-MRXNPFEDSA-N 1 1 336.439 3.501 20 30 EHEDMO CCC(CC)[N@@H+](C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000619157539 1125295503 /nfs/dbraw/zinc/29/55/03/1125295503.db2.gz BTPAYPGMAWZBIL-LJQANCHMSA-N 1 1 325.456 3.707 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2ncccc2C(F)(F)F)cc1Cl ZINC000619748413 1125400292 /nfs/dbraw/zinc/40/02/92/1125400292.db2.gz KOEKAJVHWPQESN-UHFFFAOYSA-N 1 1 325.721 3.915 20 30 EHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000543248863 1129371304 /nfs/dbraw/zinc/37/13/04/1129371304.db2.gz GBHUQRXESHNJAB-PMACEKPBSA-N 1 1 334.419 3.570 20 30 EHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000543248863 1129371308 /nfs/dbraw/zinc/37/13/08/1129371308.db2.gz GBHUQRXESHNJAB-PMACEKPBSA-N 1 1 334.419 3.570 20 30 EHEDMO CC1(C)C[N@@H+](CCCC2(C#N)CCOCC2)CC[C@H]1C(F)(F)F ZINC000499732414 1129430046 /nfs/dbraw/zinc/43/00/46/1129430046.db2.gz HJKHFMVJJGLZAW-CQSZACIVSA-N 1 1 332.410 3.997 20 30 EHEDMO Cc1ccc(C#N)cc1NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000069606916 1129464641 /nfs/dbraw/zinc/46/46/41/1129464641.db2.gz VTAIPISKWSRJNE-HNNXBMFYSA-N 1 1 328.460 3.500 20 30 EHEDMO CC1(C)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]2CCC[C@H]21 ZINC000328886724 1129584379 /nfs/dbraw/zinc/58/43/79/1129584379.db2.gz ZWQJQEPXQYKZBH-GDBMZVCRSA-N 1 1 331.847 3.661 20 30 EHEDMO C=CCOc1ccc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)cc1 ZINC000389932350 1129596707 /nfs/dbraw/zinc/59/67/07/1129596707.db2.gz FPIWJGSSWWYZHU-UHFFFAOYSA-N 1 1 333.435 3.786 20 30 EHEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(C#N)cs2)cc1OC ZINC000124681737 1129624752 /nfs/dbraw/zinc/62/47/52/1129624752.db2.gz WLYPFDHGEHZTDW-MRXNPFEDSA-N 1 1 328.437 3.974 20 30 EHEDMO COc1cc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)ccc1C#N ZINC000282249038 1129725323 /nfs/dbraw/zinc/72/53/23/1129725323.db2.gz JKGKVSHKBLSKGD-LJQANCHMSA-N 1 1 336.435 3.606 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)cc2)c(C#N)c1C ZINC000031006359 1129937307 /nfs/dbraw/zinc/93/73/07/1129937307.db2.gz SQGWSNRIUULRCM-LBPRGKRZSA-N 1 1 345.830 3.881 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)cc2)c(C#N)c1C ZINC000031006359 1129937309 /nfs/dbraw/zinc/93/73/09/1129937309.db2.gz SQGWSNRIUULRCM-LBPRGKRZSA-N 1 1 345.830 3.881 20 30 EHEDMO C[NH+](C)[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000039514902 1130139110 /nfs/dbraw/zinc/13/91/10/1130139110.db2.gz LZQZOEYIDTUCMW-KRWDZBQOSA-N 1 1 344.802 3.835 20 30 EHEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000172859229 1130164840 /nfs/dbraw/zinc/16/48/40/1130164840.db2.gz UOWFXYKGKPYFSP-QWHCGFSZSA-N 1 1 331.485 3.557 20 30 EHEDMO C=CCOc1ccccc1C[NH2+][C@@H]1CCOc2c(OC)cccc21 ZINC000675839438 1130490677 /nfs/dbraw/zinc/49/06/77/1130490677.db2.gz DEHNRRVQDOHMEK-QGZVFWFLSA-N 1 1 325.408 3.873 20 30 EHEDMO C=C(C)C[NH+]1CCC(NCc2ccccc2N2CCCCC2)CC1 ZINC000730017397 1130667441 /nfs/dbraw/zinc/66/74/41/1130667441.db2.gz GWQLXQRYAJIHKE-UHFFFAOYSA-N 1 1 327.516 3.807 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000730804657 1130740322 /nfs/dbraw/zinc/74/03/22/1130740322.db2.gz XZLKPMWSPFPQHD-HNNXBMFYSA-N 1 1 331.485 3.630 20 30 EHEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000731891654 1130854905 /nfs/dbraw/zinc/85/49/05/1130854905.db2.gz CEQIABRYRAIOSY-CBGDNZLLSA-N 1 1 336.435 3.788 20 30 EHEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCOc1ccc(C#N)cc1 ZINC000731891654 1130854911 /nfs/dbraw/zinc/85/49/11/1130854911.db2.gz CEQIABRYRAIOSY-CBGDNZLLSA-N 1 1 336.435 3.788 20 30 EHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)/C=C\c2ccccc2C#N)C1 ZINC000732134980 1130887666 /nfs/dbraw/zinc/88/76/66/1130887666.db2.gz CYQUMQZJEWHYQC-CPFIRTDXSA-N 1 1 339.483 3.588 20 30 EHEDMO C=CCOCCC[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000348055137 1131135272 /nfs/dbraw/zinc/13/52/72/1131135272.db2.gz OVZPPMCDUXDDED-RXVVDRJESA-N 1 1 345.531 3.515 20 30 EHEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H]2Cc2ccccc2C)c1=S ZINC000734145036 1131204397 /nfs/dbraw/zinc/20/43/97/1131204397.db2.gz IZEYYJZAJZDRRM-SFHVURJKSA-N 1 1 342.512 3.882 20 30 EHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@H]2Cc2ccccc2C)c1=S ZINC000734145036 1131204401 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C[C@@H]1CCC[N@@H+]1CCNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000742386611 1131714022 /nfs/dbraw/zinc/71/40/22/1131714022.db2.gz JKOUVUYQVLCHGT-GOSISDBHSA-N 1 1 349.478 3.711 20 30 EHEDMO C[C@@H]1CCC[N@H+]1CCNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000742386611 1131714025 /nfs/dbraw/zinc/71/40/25/1131714025.db2.gz JKOUVUYQVLCHGT-GOSISDBHSA-N 1 1 349.478 3.711 20 30 EHEDMO CC[N@@H+](c1ccc(Nc2ncc([N+](=O)[O-])cc2C#N)cc1)C(C)C ZINC000742376905 1131717855 /nfs/dbraw/zinc/71/78/55/1131717855.db2.gz DGNOHLDBAJBLCN-UHFFFAOYSA-N 1 1 325.372 3.840 20 30 EHEDMO CC[N@H+](c1ccc(Nc2ncc([N+](=O)[O-])cc2C#N)cc1)C(C)C ZINC000742376905 1131717857 /nfs/dbraw/zinc/71/78/57/1131717857.db2.gz DGNOHLDBAJBLCN-UHFFFAOYSA-N 1 1 325.372 3.840 20 30 EHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@H](C)CCOCC(C)C)C2 ZINC001172468679 1131733638 /nfs/dbraw/zinc/73/36/38/1131733638.db2.gz XDSGGWWKVRZCFB-VAMGGRTRSA-N 1 1 339.520 3.511 20 30 EHEDMO C[C@@H](CCCC#N)N1CC[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001172503399 1131761484 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/nfs/dbraw/zinc/32/81/46/1134328146.db2.gz RXRKFBNBIOXQEM-UHFFFAOYSA-N 1 1 346.272 3.609 20 30 EHEDMO COCCN(C)c1ccc(C=[NH+]Nc2cccc3ccccc32)cn1 ZINC000790164449 1134377281 /nfs/dbraw/zinc/37/72/81/1134377281.db2.gz BEYIJEHRUJEHCP-UHFFFAOYSA-N 1 1 334.423 3.763 20 30 EHEDMO C=CCN1CC[C@@]2(C[N@@H+]([C@H]3CC[C@@H](C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001170139416 1134431526 /nfs/dbraw/zinc/43/15/26/1134431526.db2.gz UXKDVPDCGLNXOV-KHHDVDEJSA-N 1 1 338.495 3.679 20 30 EHEDMO C#C[C@H](CCC)[NH2+][C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000790546597 1134433234 /nfs/dbraw/zinc/43/32/34/1134433234.db2.gz LNOIZAVZVURJPV-YLJYHZDGSA-N 1 1 336.435 3.767 20 30 EHEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2ccsc2)c1 ZINC001189385540 1134577871 /nfs/dbraw/zinc/57/78/71/1134577871.db2.gz KXCHBAQOWABUHW-SFHVURJKSA-N 1 1 326.465 3.795 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC001170334006 1134751334 /nfs/dbraw/zinc/75/13/34/1134751334.db2.gz VBZKWQUMONGBKM-LWEYNCJUSA-N 1 1 325.500 3.770 20 30 EHEDMO C#C[C@H](CC)[NH2+][C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000792640279 1134756830 /nfs/dbraw/zinc/75/68/30/1134756830.db2.gz BAEGNRVJBVASOO-YLJYHZDGSA-N 1 1 336.435 3.685 20 30 EHEDMO CCCCCCCNC(=O)N1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001191091424 1134800829 /nfs/dbraw/zinc/80/08/29/1134800829.db2.gz MNQSUYWQEKSDDV-CALCHBBNSA-N 1 1 349.544 3.792 20 30 EHEDMO COc1ccc(O)c(/C=N/C[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000005291750 1134921222 /nfs/dbraw/zinc/92/12/22/1134921222.db2.gz WSGMCQFQJDZDEO-PBGVMVHZSA-N 1 1 332.831 3.776 20 30 EHEDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2cc3c(c(C#N)c2=O)CCCC3)c1 ZINC000793487878 1134940203 /nfs/dbraw/zinc/94/02/03/1134940203.db2.gz XJURDALIIDJCBX-NRFANRHFSA-N 1 1 347.462 3.702 20 30 EHEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cn2cc3c(c(C#N)c2=O)CCCC3)c1 ZINC000793487878 1134940207 /nfs/dbraw/zinc/94/02/07/1134940207.db2.gz XJURDALIIDJCBX-NRFANRHFSA-N 1 1 347.462 3.702 20 30 EHEDMO C#CCCCCCC[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC001192271029 1134991372 /nfs/dbraw/zinc/99/13/72/1134991372.db2.gz BKWBUQSCTBBNRM-QGZVFWFLSA-N 1 1 338.289 3.998 20 30 EHEDMO C=CC[N@@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)C1CC1 ZINC001192516125 1135027087 /nfs/dbraw/zinc/02/70/87/1135027087.db2.gz UNQIPNCGHGAZOL-UHFFFAOYSA-N 1 1 334.463 3.933 20 30 EHEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCCC3(CCCCC3)CC2)c1 ZINC001193437259 1135135169 /nfs/dbraw/zinc/13/51/69/1135135169.db2.gz AKGUQGZUOVBANT-UHFFFAOYSA-N 1 1 325.456 3.933 20 30 EHEDMO C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001129786478 1135161818 /nfs/dbraw/zinc/16/18/18/1135161818.db2.gz WESTUUXWCINBFR-FGZHOGPDSA-N 1 1 348.490 3.812 20 30 EHEDMO C=CC[C@@H]1[N@H+](Cc2ccc(OCC(F)(F)F)nn2)CCCC1(C)C ZINC001193920723 1135204222 /nfs/dbraw/zinc/20/42/22/1135204222.db2.gz PSQDGWBTSDDDOI-AWEZNQCLSA-N 1 1 343.393 3.984 20 30 EHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](O)c1cccc(C)c1 ZINC001194268190 1135252915 /nfs/dbraw/zinc/25/29/15/1135252915.db2.gz FGZLLJSWKWIWCC-FQEVSTJZSA-N 1 1 327.472 3.884 20 30 EHEDMO C[N@H+](Cc1ccccc1O)Cc1ccc(Br)cc1C#N ZINC000805745889 1135317773 /nfs/dbraw/zinc/31/77/73/1135317773.db2.gz KKFKNBSDCTWVTO-UHFFFAOYSA-N 1 1 331.213 3.658 20 30 EHEDMO C[N@@H+](Cc1ccccc1O)Cc1ccc(Br)cc1C#N ZINC000805745889 1135317776 /nfs/dbraw/zinc/31/77/76/1135317776.db2.gz KKFKNBSDCTWVTO-UHFFFAOYSA-N 1 1 331.213 3.658 20 30 EHEDMO CC[C@@H]1CC([N@H+]2CC[C@@H](C#N)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170491330 1135341084 /nfs/dbraw/zinc/34/10/84/1135341084.db2.gz IXUODYVAHWBYBV-ARFHVFGLSA-N 1 1 335.492 3.789 20 30 EHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC001195893826 1135481503 /nfs/dbraw/zinc/48/15/03/1135481503.db2.gz QHQWJYCWPFLWND-RBUKOAKNSA-N 1 1 326.440 3.675 20 30 EHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001195893826 1135481509 /nfs/dbraw/zinc/48/15/09/1135481509.db2.gz QHQWJYCWPFLWND-RBUKOAKNSA-N 1 1 326.440 3.675 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001195893824 1135481655 /nfs/dbraw/zinc/48/16/55/1135481655.db2.gz QHQWJYCWPFLWND-MOPGFXCFSA-N 1 1 326.440 3.675 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001195893824 1135481656 /nfs/dbraw/zinc/48/16/56/1135481656.db2.gz QHQWJYCWPFLWND-MOPGFXCFSA-N 1 1 326.440 3.675 20 30 EHEDMO C#Cc1cncc(C(=O)NCc2cccc(C[N@H+](CC)CCCC)c2)c1 ZINC000807036625 1135515000 /nfs/dbraw/zinc/51/50/00/1135515000.db2.gz BEXQUWNEBBXKTE-UHFFFAOYSA-N 1 1 349.478 3.615 20 30 EHEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC001196410086 1135559243 /nfs/dbraw/zinc/55/92/43/1135559243.db2.gz MYPJAYMZDWWSBC-UXHICEINSA-N 1 1 342.483 3.590 20 30 EHEDMO C=CCOCC[N@@H+]1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC001196622356 1135590525 /nfs/dbraw/zinc/59/05/25/1135590525.db2.gz DVGQQHKFFIGTDZ-OAQYLSRUSA-N 1 1 337.463 3.590 20 30 EHEDMO CC(C)c1[nH+]c(CN=Nc2nccnc2C2CCC2)c2ccccn21 ZINC000807994246 1135601053 /nfs/dbraw/zinc/60/10/53/1135601053.db2.gz ODPHNRIEKOFGQR-UHFFFAOYSA-N 1 1 334.427 3.961 20 30 EHEDMO N#Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1Cl ZINC001197130937 1135648305 /nfs/dbraw/zinc/64/83/05/1135648305.db2.gz BCQUKYZZTOXXQH-OAHLLOKOSA-N 1 1 346.862 3.740 20 30 EHEDMO CSc1ccc(OCC[N@@H+](C)CCc2cccc(C#N)c2)cc1 ZINC001197104368 1135650192 /nfs/dbraw/zinc/65/01/92/1135650192.db2.gz BVRVAFHFMHFUDU-UHFFFAOYSA-N 1 1 326.465 3.833 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C3CCC3)CC2)c(C#N)c1C ZINC001197204509 1135659271 /nfs/dbraw/zinc/65/92/71/1135659271.db2.gz ZDTFUHAKNDRVHJ-RHSMWYFYSA-N 1 1 343.471 3.997 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C3CCC3)CC2)c(C#N)c1C ZINC001197204509 1135659273 /nfs/dbraw/zinc/65/92/73/1135659273.db2.gz ZDTFUHAKNDRVHJ-RHSMWYFYSA-N 1 1 343.471 3.997 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]([C@H](C)C2CC2)C2CC2)cc1C ZINC000747524489 1135722256 /nfs/dbraw/zinc/72/22/56/1135722256.db2.gz MVEQLUNSRGRBNT-QGZVFWFLSA-N 1 1 339.483 3.813 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1C ZINC000747529664 1135741910 /nfs/dbraw/zinc/74/19/10/1135741910.db2.gz MNJWDTFTDAXNIG-HDICACEKSA-N 1 1 327.472 3.813 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)CC2(C)C)cc1C ZINC000747532336 1135750591 /nfs/dbraw/zinc/75/05/91/1135750591.db2.gz WRIRKOQLFMGMJL-OAHLLOKOSA-N 1 1 327.472 3.671 20 30 EHEDMO CC(C)(C)OC(=O)NCC12CCC(CC1)[N@H+]2Cc1cccc(C#N)c1 ZINC001198612146 1135838336 /nfs/dbraw/zinc/83/83/36/1135838336.db2.gz KJMBKRPTSHKOJN-UHFFFAOYSA-N 1 1 341.455 3.580 20 30 EHEDMO C#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)cc1 ZINC000809582404 1135853842 /nfs/dbraw/zinc/85/38/42/1135853842.db2.gz XNUNAKSYGBABIL-RBUKOAKNSA-N 1 1 342.483 3.793 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@]12CCC[C@H]1OCC2 ZINC001198791445 1135856299 /nfs/dbraw/zinc/85/62/99/1135856299.db2.gz VEIIYRHHRCXCJB-IAGOWNOFSA-N 1 1 338.373 3.968 20 30 EHEDMO CCC[N@@H+](CCN1CCCCC1)Cc1ccc(N(C)CCC#N)cc1 ZINC000809705430 1135874991 /nfs/dbraw/zinc/87/49/91/1135874991.db2.gz UTPKAVBRJPOQDS-UHFFFAOYSA-N 1 1 342.531 3.734 20 30 EHEDMO CCCN(CC[NH+]1CCCCC1)Cc1ccc(N(C)CCC#N)cc1 ZINC000809705430 1135874995 /nfs/dbraw/zinc/87/49/95/1135874995.db2.gz UTPKAVBRJPOQDS-UHFFFAOYSA-N 1 1 342.531 3.734 20 30 EHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(Oc2cnccn2)cc1 ZINC000809717290 1135876687 /nfs/dbraw/zinc/87/66/87/1135876687.db2.gz ZLCFYSDOGGRLOW-UHFFFAOYSA-N 1 1 329.403 3.904 20 30 EHEDMO C#CC[N@H+](Cc1ccccc1)Cc1cc(OC)c(OCC)c(OC)c1 ZINC000809716836 1135877449 /nfs/dbraw/zinc/87/74/49/1135877449.db2.gz TYLDEBQRWPSVPS-UHFFFAOYSA-N 1 1 339.435 3.738 20 30 EHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cc(OC)c(OCC)c(OC)c1 ZINC000809716836 1135877452 /nfs/dbraw/zinc/87/74/52/1135877452.db2.gz TYLDEBQRWPSVPS-UHFFFAOYSA-N 1 1 339.435 3.738 20 30 EHEDMO CC[N@@H+](C[C@H](C)C#N)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000809938429 1135902424 /nfs/dbraw/zinc/90/24/24/1135902424.db2.gz ARJLIIZDNPWICC-BRWVUGGUSA-N 1 1 337.508 3.799 20 30 EHEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000810227156 1135940542 /nfs/dbraw/zinc/94/05/42/1135940542.db2.gz SQTWPWUTONFGHL-KRWDZBQOSA-N 1 1 327.771 3.897 20 30 EHEDMO CCCCCCCN1CC[N@H+]2C[C@@H](OCc3cccc(C)n3)C[C@H]2C1 ZINC001201762665 1136060751 /nfs/dbraw/zinc/06/07/51/1136060751.db2.gz QPTLTVVRPWUJDX-SFTDATJTSA-N 1 1 345.531 3.636 20 30 EHEDMO CCCCCCC[N@@H+]1CCN2C[C@@H](OCc3cccc(C)n3)C[C@H]2C1 ZINC001201762665 1136060754 /nfs/dbraw/zinc/06/07/54/1136060754.db2.gz QPTLTVVRPWUJDX-SFTDATJTSA-N 1 1 345.531 3.636 20 30 EHEDMO CCCCCCC[N@H+]1CCN2C[C@@H](OCc3cccc(C)n3)C[C@H]2C1 ZINC001201762665 1136060758 /nfs/dbraw/zinc/06/07/58/1136060758.db2.gz QPTLTVVRPWUJDX-SFTDATJTSA-N 1 1 345.531 3.636 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1O ZINC000811792649 1136141225 /nfs/dbraw/zinc/14/12/25/1136141225.db2.gz QKQNVABGQRZDJV-ICSRJNTNSA-N 1 1 343.467 3.663 20 30 EHEDMO C[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccc(OCC#N)cc1 ZINC000776349430 1136162052 /nfs/dbraw/zinc/16/20/52/1136162052.db2.gz BPBTWDMQRMVNHO-CYBMUJFWSA-N 1 1 327.453 3.775 20 30 EHEDMO C[C@@H](C(=O)OCCC(C)(C)C#N)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000776386191 1136172962 /nfs/dbraw/zinc/17/29/62/1136172962.db2.gz SMUQXJMUMGKEPI-KRWDZBQOSA-N 1 1 342.483 3.813 20 30 EHEDMO C#C[C@@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000812353263 1136197202 /nfs/dbraw/zinc/19/72/02/1136197202.db2.gz KMWLTQNVVTXCLK-QFBILLFUSA-N 1 1 344.886 3.785 20 30 EHEDMO Cc1cc(C[N@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)ccc1C#N ZINC000812833649 1136256405 /nfs/dbraw/zinc/25/64/05/1136256405.db2.gz SBTZOTSFDMBGIV-SFHVURJKSA-N 1 1 343.471 3.602 20 30 EHEDMO C[C@H](N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(OCC#N)cc1 ZINC000850538612 1136282050 /nfs/dbraw/zinc/28/20/50/1136282050.db2.gz ISHZCASJRZBFCK-WMZOPIPTSA-N 1 1 327.472 3.647 20 30 EHEDMO C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1)c1ccc(OCC#N)cc1 ZINC000850538612 1136282054 /nfs/dbraw/zinc/28/20/54/1136282054.db2.gz ISHZCASJRZBFCK-WMZOPIPTSA-N 1 1 327.472 3.647 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000852686535 1136478077 /nfs/dbraw/zinc/47/80/77/1136478077.db2.gz WPRXYNWQLKNKJZ-IYBDPMFKSA-N 1 1 325.408 3.663 20 30 EHEDMO CC[N@@H+](CCO[C@@H](C)C#N)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000852712934 1136479177 /nfs/dbraw/zinc/47/91/77/1136479177.db2.gz LGPLKDQRTBAVAU-KGLIPLIRSA-N 1 1 328.378 3.887 20 30 EHEDMO CN(C)c1ncnc(Cl)c1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000814660314 1136486284 /nfs/dbraw/zinc/48/62/84/1136486284.db2.gz TZLVBLIFYBJGCN-INIZCTEOSA-N 1 1 343.862 3.721 20 30 EHEDMO C#CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814671516 1136492223 /nfs/dbraw/zinc/49/22/23/1136492223.db2.gz CKJBVPRNWFERLG-QZTJIDSGSA-N 1 1 334.504 3.759 20 30 EHEDMO COc1ccc(-c2nc(C)c(C(C)=NNc3cc[nH+]cc3)s2)cc1 ZINC000814899598 1136521896 /nfs/dbraw/zinc/52/18/96/1136521896.db2.gz DEZONYBPOCMCEE-UHFFFAOYSA-N 1 1 338.436 3.780 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1Cc2ccc(Br)cc2C1=O ZINC000853597474 1136547468 /nfs/dbraw/zinc/54/74/68/1136547468.db2.gz AEFFRMJEIVJTSQ-GASCZTMLSA-N 1 1 347.256 3.545 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C[C@H](c2cccc(Cl)c2)CC1=O ZINC000853598050 1136547563 /nfs/dbraw/zinc/54/75/63/1136547563.db2.gz IOAZFMLUTBOZDV-NXHRZFHOSA-N 1 1 330.859 3.796 20 30 EHEDMO CCN(C)c1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cc1 ZINC000815120819 1136552788 /nfs/dbraw/zinc/55/27/88/1136552788.db2.gz VRFAAEBIVQJZKA-UHFFFAOYSA-N 1 1 337.467 3.663 20 30 EHEDMO Cc1ccccc1NC(=O)CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000173260644 1136625365 /nfs/dbraw/zinc/62/53/65/1136625365.db2.gz PQQPJNOKBGYFAF-UHFFFAOYSA-N 1 1 333.435 3.860 20 30 EHEDMO C=CCCC[C@H](C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12)c1ccccc1 ZINC001135244980 1136642950 /nfs/dbraw/zinc/64/29/50/1136642950.db2.gz OYOVBGXEDDMCHW-IYWMVGAKSA-N 1 1 326.484 3.583 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000776798595 1136669229 /nfs/dbraw/zinc/66/92/29/1136669229.db2.gz KZAOWDKNIPDNQX-CRAIPNDOSA-N 1 1 343.471 3.744 20 30 EHEDMO Clc1cnc(N=NC2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)nc1 ZINC000857221428 1136854489 /nfs/dbraw/zinc/85/44/89/1136854489.db2.gz ZOIYKTZBFZMCIV-UHFFFAOYSA-N 1 1 341.846 3.727 20 30 EHEDMO C[C@@H]1C(N=Nc2ncc(Cl)cn2)CCC[N@H+]1Cc1ccccc1 ZINC000857221420 1136854660 /nfs/dbraw/zinc/85/46/60/1136854660.db2.gz ZKYDESCROUBCLC-CYBMUJFWSA-N 1 1 329.835 3.582 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1F ZINC000858046829 1136935127 /nfs/dbraw/zinc/93/51/27/1136935127.db2.gz FXOFBWXSUASEBP-GOSISDBHSA-N 1 1 337.398 3.623 20 30 EHEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1F ZINC000858046829 1136935129 /nfs/dbraw/zinc/93/51/29/1136935129.db2.gz FXOFBWXSUASEBP-GOSISDBHSA-N 1 1 337.398 3.623 20 30 EHEDMO Fc1ccc(C#CC[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858049344 1136935385 /nfs/dbraw/zinc/93/53/85/1136935385.db2.gz ZKJRPGAFZKVLME-FQEVSTJZSA-N 1 1 336.410 3.603 20 30 EHEDMO Fc1ccc(C#CC[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858049344 1136935388 /nfs/dbraw/zinc/93/53/88/1136935388.db2.gz ZKJRPGAFZKVLME-FQEVSTJZSA-N 1 1 336.410 3.603 20 30 EHEDMO C[C@H](NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(OCC#N)cc1 ZINC000858465393 1136970284 /nfs/dbraw/zinc/97/02/84/1136970284.db2.gz XUZOKUMRDCGRFS-QFBILLFUSA-N 1 1 327.472 3.647 20 30 EHEDMO C[C@H](NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(OCC#N)cc1 ZINC000858465393 1136970285 /nfs/dbraw/zinc/97/02/85/1136970285.db2.gz XUZOKUMRDCGRFS-QFBILLFUSA-N 1 1 327.472 3.647 20 30 EHEDMO C[C@@H]1C[NH+](Cc2cc(Cl)ccc2OCC#N)C[C@@H](C)C1(F)F ZINC000859412880 1137013925 /nfs/dbraw/zinc/01/39/25/1137013925.db2.gz ZOVDDOYDSNZSBX-VXGBXAGGSA-N 1 1 328.790 3.965 20 30 EHEDMO C[C@H](C#N)OCC[N@H+]1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000859960121 1137038780 /nfs/dbraw/zinc/03/87/80/1137038780.db2.gz ARRZQRKATPGXKO-GUTXKFCHSA-N 1 1 337.261 3.556 20 30 EHEDMO Cc1ccn2c(C[N@H+]3CCC[C@@H](Oc4cccc(C#N)c4)C3)cnc2c1 ZINC001136890869 1137141356 /nfs/dbraw/zinc/14/13/56/1137141356.db2.gz AMHHUGLTMAAULS-HXUWFJFHSA-N 1 1 346.434 3.558 20 30 EHEDMO C=CC[C@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000862442033 1137144814 /nfs/dbraw/zinc/14/48/14/1137144814.db2.gz XDOHBUWOPGSQRE-NSHDSACASA-N 1 1 326.234 3.561 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000862445503 1137145285 /nfs/dbraw/zinc/14/52/85/1137145285.db2.gz VOVIMSOETACCME-ZDUSSCGKSA-N 1 1 344.256 3.684 20 30 EHEDMO C#CC[C@@H]1CC[N@@H+](Cc2csc(COc3ccc(OC)cc3)n2)C1 ZINC000862445655 1137145297 /nfs/dbraw/zinc/14/52/97/1137145297.db2.gz YWQFNTRSMIXJSS-OAHLLOKOSA-N 1 1 342.464 3.576 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2csc(COc3ccc(OC)cc3)n2)C1 ZINC000862445655 1137145298 /nfs/dbraw/zinc/14/52/98/1137145298.db2.gz YWQFNTRSMIXJSS-OAHLLOKOSA-N 1 1 342.464 3.576 20 30 EHEDMO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3cncc(Cl)c3)C2)cc1 ZINC001136997651 1137168717 /nfs/dbraw/zinc/16/87/17/1137168717.db2.gz ISZXDUGIHLEUOV-GOSISDBHSA-N 1 1 327.815 3.650 20 30 EHEDMO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3cncc(Cl)c3)C2)cc1 ZINC001136997651 1137168718 /nfs/dbraw/zinc/16/87/18/1137168718.db2.gz ISZXDUGIHLEUOV-GOSISDBHSA-N 1 1 327.815 3.650 20 30 EHEDMO C=CC[NH+]1CCN([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171081760 1137173307 /nfs/dbraw/zinc/17/33/07/1137173307.db2.gz FJYWVIPQOSTKGK-OAHLLOKOSA-N 1 1 325.283 3.654 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@@H+]2Cc3cccc(OC)c3C2)c1O ZINC000863319975 1137181084 /nfs/dbraw/zinc/18/10/84/1137181084.db2.gz CEWFUVHYJJBPEW-UHFFFAOYSA-N 1 1 325.408 3.654 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@H+]2Cc3cccc(OC)c3C2)c1O ZINC000863319975 1137181085 /nfs/dbraw/zinc/18/10/85/1137181085.db2.gz CEWFUVHYJJBPEW-UHFFFAOYSA-N 1 1 325.408 3.654 20 30 EHEDMO CC(C)(C)OC(=O)Nc1cc(C[NH+]2CCC(C)(C#N)CC2)ccn1 ZINC001143693883 1137189888 /nfs/dbraw/zinc/18/98/88/1137189888.db2.gz VTFHHVRBGFNZBG-UHFFFAOYSA-N 1 1 330.432 3.554 20 30 EHEDMO N#Cc1cccc(Cl)c1CN1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC001143726105 1137194316 /nfs/dbraw/zinc/19/43/16/1137194316.db2.gz GKUROTYTWRVLJC-UHFFFAOYSA-N 1 1 337.854 3.672 20 30 EHEDMO N#Cc1cccc(Cl)c1CN1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001143726105 1137194318 /nfs/dbraw/zinc/19/43/18/1137194318.db2.gz GKUROTYTWRVLJC-UHFFFAOYSA-N 1 1 337.854 3.672 20 30 EHEDMO CC[C@H](c1ccc(F)cc1F)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369906 1137213091 /nfs/dbraw/zinc/21/30/91/1137213091.db2.gz OAYSHHCMZWGETI-RTBURBONSA-N 1 1 330.378 3.953 20 30 EHEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)[C@H]1CCc2cc(Cl)ccc21 ZINC000844371429 1137213214 /nfs/dbraw/zinc/21/32/14/1137213214.db2.gz OGKRBDGZPALYFX-RBUKOAKNSA-N 1 1 326.827 3.864 20 30 EHEDMO C[N@@H+](CCCc1ccccc1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC000844371438 1137213341 /nfs/dbraw/zinc/21/33/41/1137213341.db2.gz OGPKIYKHHKVPEF-IBGZPJMESA-N 1 1 328.843 3.810 20 30 EHEDMO N#Cc1cc(C[N@@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)ccc1F ZINC000844373829 1137213704 /nfs/dbraw/zinc/21/37/04/1137213704.db2.gz RJFXPCBJALTULU-LJQANCHMSA-N 1 1 344.817 3.834 20 30 EHEDMO C[C@H](CSc1ccccc1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000844362102 1137215235 /nfs/dbraw/zinc/21/52/35/1137215235.db2.gz XVOPDSYAUIGRKN-BEFAXECRSA-N 1 1 326.465 3.704 20 30 EHEDMO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844471364 1137227018 /nfs/dbraw/zinc/22/70/18/1137227018.db2.gz QGHQRMUISSJXFH-WSDUQJHMSA-N 1 1 346.421 3.598 20 30 EHEDMO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844471364 1137227019 /nfs/dbraw/zinc/22/70/19/1137227019.db2.gz QGHQRMUISSJXFH-WSDUQJHMSA-N 1 1 346.421 3.598 20 30 EHEDMO C=C(C)CONC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000844508324 1137227817 /nfs/dbraw/zinc/22/78/17/1137227817.db2.gz BCIAWJFHLNXQSQ-UHFFFAOYSA-N 1 1 328.416 3.684 20 30 EHEDMO C#C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccc(OC)c(OC)c3)s2)C1 ZINC001144067954 1137234367 /nfs/dbraw/zinc/23/43/67/1137234367.db2.gz OSISDTRUJHHPBO-CQSZACIVSA-N 1 1 342.464 3.673 20 30 EHEDMO N#Cc1cncc(C[N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001144079622 1137237010 /nfs/dbraw/zinc/23/70/10/1137237010.db2.gz XXHJEWWHUWFHEV-MRXNPFEDSA-N 1 1 331.341 3.962 20 30 EHEDMO C=CC[N@H+](CCC#N)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000794746074 1137244089 /nfs/dbraw/zinc/24/40/89/1137244089.db2.gz RQSZJXIFDSNHES-QAQDUYKDSA-N 1 1 335.492 3.719 20 30 EHEDMO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000794827140 1137267803 /nfs/dbraw/zinc/26/78/03/1137267803.db2.gz ICLDHUZTTMJBHL-TZIWHRDSSA-N 1 1 348.490 3.871 20 30 EHEDMO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000794827140 1137267804 /nfs/dbraw/zinc/26/78/04/1137267804.db2.gz ICLDHUZTTMJBHL-TZIWHRDSSA-N 1 1 348.490 3.871 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)N1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001171197822 1137306507 /nfs/dbraw/zinc/30/65/07/1137306507.db2.gz CYPFNAVUUOYBLR-SFHVURJKSA-N 1 1 333.479 3.525 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(N)(c2cccc(F)c2)CC1 ZINC001171198620 1137309769 /nfs/dbraw/zinc/30/97/69/1137309769.db2.gz NROABLAXJIPZKW-INIZCTEOSA-N 1 1 337.442 3.578 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(N)(c2cccc(F)c2)CC1 ZINC001171198624 1137309774 /nfs/dbraw/zinc/30/97/74/1137309774.db2.gz NROABLAXJIPZKW-MRXNPFEDSA-N 1 1 337.442 3.578 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC)C[C@H]2c2ccccc2)cc1 ZINC001144578729 1137310888 /nfs/dbraw/zinc/31/08/88/1137310888.db2.gz KXPNHRHBSILWRT-RTWAWAEBSA-N 1 1 333.431 3.794 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)[C@H]2C)cc1 ZINC001144568490 1137311277 /nfs/dbraw/zinc/31/12/77/1137311277.db2.gz WVHBILKUNQFACS-VQIMIIECSA-N 1 1 342.483 3.793 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cc1 ZINC001144569516 1137311377 /nfs/dbraw/zinc/31/13/77/1137311377.db2.gz SQMRWPSNXKKLLK-BHDDXSALSA-N 1 1 339.479 3.607 20 30 EHEDMO C#Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cc1 ZINC001144569516 1137311379 /nfs/dbraw/zinc/31/13/79/1137311379.db2.gz SQMRWPSNXKKLLK-BHDDXSALSA-N 1 1 339.479 3.607 20 30 EHEDMO C[NH+]1CCN(N=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000866090740 1137328760 /nfs/dbraw/zinc/32/87/60/1137328760.db2.gz DNHAMUAGAUPOIE-UHFFFAOYSA-N 1 1 337.345 3.547 20 30 EHEDMO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)Cc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC001171210356 1137332182 /nfs/dbraw/zinc/33/21/82/1137332182.db2.gz SXTBRDXKSVKPLR-DQLDELGASA-N 1 1 348.446 3.725 20 30 EHEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1cccc(C#N)c1O ZINC000866352255 1137348334 /nfs/dbraw/zinc/34/83/34/1137348334.db2.gz WFPOOCWLOQTDBQ-MNOVXSKESA-N 1 1 346.228 3.833 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001171224965 1137350502 /nfs/dbraw/zinc/35/05/02/1137350502.db2.gz WCYKMFGPJHFUMI-VGOFRKELSA-N 1 1 345.446 3.904 20 30 EHEDMO C[C@H]([NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2)c1cccc(C#N)c1 ZINC000866559811 1137364625 /nfs/dbraw/zinc/36/46/25/1137364625.db2.gz LPEDFBVTWMBDTK-LBPRGKRZSA-N 1 1 348.372 3.961 20 30 EHEDMO C[N@H+]1CCC[C@H](CCNC(=O)c2ccc(C(C)(C)CCC#N)cc2)C1 ZINC001148909832 1137437704 /nfs/dbraw/zinc/43/77/04/1137437704.db2.gz XJCATFLHOGJPAB-QGZVFWFLSA-N 1 1 341.499 3.730 20 30 EHEDMO C#CCCCCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000773238131 1137480873 /nfs/dbraw/zinc/48/08/73/1137480873.db2.gz PDOZYGBHQRDRAP-SFHVURJKSA-N 1 1 326.484 3.871 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1O ZINC000773259390 1137482472 /nfs/dbraw/zinc/48/24/72/1137482472.db2.gz JGRCBOZYFRRBDQ-SJORKVTESA-N 1 1 345.483 3.768 20 30 EHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171545272 1137494464 /nfs/dbraw/zinc/49/44/64/1137494464.db2.gz BSCXSARTAZPRGV-OAHLLOKOSA-N 1 1 330.353 3.965 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CC[C@H](C#N)C2)C[C@@H]1C(C)(C)C ZINC001171612196 1137500316 /nfs/dbraw/zinc/50/03/16/1137500316.db2.gz HCHYLCNVEBWTKN-BZUAXINKSA-N 1 1 335.492 3.646 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)NOc2cccc(C#N)c2)cc1)C(C)C ZINC000870692780 1137505606 /nfs/dbraw/zinc/50/56/06/1137505606.db2.gz NSOWKBNWTJVMLZ-UHFFFAOYSA-N 1 1 337.423 3.512 20 30 EHEDMO C=CCCCCC[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](OCC)C1 ZINC001171751912 1137508431 /nfs/dbraw/zinc/50/84/31/1137508431.db2.gz PSUMJCOGOVSODC-IAGOWNOFSA-N 1 1 340.508 3.594 20 30 EHEDMO Cc1ccc(CN2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)cc1C#N ZINC001171810106 1137514378 /nfs/dbraw/zinc/51/43/78/1137514378.db2.gz NORLEHVEWKEABE-QFIPXVFZSA-N 1 1 333.479 3.616 20 30 EHEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC001171840562 1137515414 /nfs/dbraw/zinc/51/54/14/1137515414.db2.gz FIBPHVYWHKRMNL-ZDUSSCGKSA-N 1 1 326.362 3.932 20 30 EHEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)C1 ZINC001171858501 1137515987 /nfs/dbraw/zinc/51/59/87/1137515987.db2.gz QJMPDRBHIYDMCT-IAGOWNOFSA-N 1 1 332.488 3.654 20 30 EHEDMO C=CC[N@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)[C@H](C)COC ZINC001171917276 1137518311 /nfs/dbraw/zinc/51/83/11/1137518311.db2.gz VUIXOCGWPUNYPN-LLVKDONJSA-N 1 1 328.243 3.664 20 30 EHEDMO C=CC[N@@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)[C@H](C)COC ZINC001171917276 1137518313 /nfs/dbraw/zinc/51/83/13/1137518313.db2.gz VUIXOCGWPUNYPN-LLVKDONJSA-N 1 1 328.243 3.664 20 30 EHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CSc3ccccc3C1)C2 ZINC001172203593 1137540626 /nfs/dbraw/zinc/54/06/26/1137540626.db2.gz IXKGNEGRADEFLG-CMKODMSKSA-N 1 1 345.508 3.530 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001172313359 1137546307 /nfs/dbraw/zinc/54/63/07/1137546307.db2.gz VOEFXMCNRPFNES-VGSWGCGISA-N 1 1 345.446 3.904 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](C)CCO[C@H](C)CC)CC2 ZINC001172328203 1137550295 /nfs/dbraw/zinc/55/02/95/1137550295.db2.gz DITZUZZVBUKYGE-GGPKGHCWSA-N 1 1 336.520 3.613 20 30 EHEDMO CCCCCCC[C@H](CC)[N@@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001172357262 1137554236 /nfs/dbraw/zinc/55/42/36/1137554236.db2.gz KQIRSYIGYOWWKK-FUHWJXTLSA-N 1 1 336.524 3.983 20 30 EHEDMO CCCCCCC[C@H](CC)[N@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001172357262 1137554237 /nfs/dbraw/zinc/55/42/37/1137554237.db2.gz KQIRSYIGYOWWKK-FUHWJXTLSA-N 1 1 336.524 3.983 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@H]2[C@H]1CC(=O)N2c1cnn(C)c1 ZINC001172359284 1137554601 /nfs/dbraw/zinc/55/46/01/1137554601.db2.gz UUXPLBNAXCHVPR-NZSAHSFTSA-N 1 1 346.519 3.739 20 30 EHEDMO C=CCOC[C@@H]1C[N@@H+]([C@@H](CC)CC(C)C)Cc2nnn(CC3CC3)c21 ZINC001172402910 1137555406 /nfs/dbraw/zinc/55/54/06/1137555406.db2.gz PMZRCUNOUASRTG-ROUUACIJSA-N 1 1 346.519 3.615 20 30 EHEDMO C=CCOC[C@@H]1C[N@H+]([C@@H](CC)CC(C)C)Cc2nnn(CC3CC3)c21 ZINC001172402910 1137555407 /nfs/dbraw/zinc/55/54/07/1137555407.db2.gz PMZRCUNOUASRTG-ROUUACIJSA-N 1 1 346.519 3.615 20 30 EHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cccc(NC(=O)C3CCC3)c2)no1 ZINC000872178482 1137575351 /nfs/dbraw/zinc/57/53/51/1137575351.db2.gz OYHYABYFLZITBY-CQSZACIVSA-N 1 1 346.818 3.618 20 30 EHEDMO C#CCCCCCC[NH2+][C@H](c1nccn1C)c1ccccc1OC ZINC000876921105 1137665265 /nfs/dbraw/zinc/66/52/65/1137665265.db2.gz KEQXEYCGAOLQCR-IBGZPJMESA-N 1 1 325.456 3.691 20 30 EHEDMO C#CCCCCCC[NH2+][C@@H](c1nccn1C)c1ccccc1OC ZINC000876921106 1137665326 /nfs/dbraw/zinc/66/53/26/1137665326.db2.gz KEQXEYCGAOLQCR-LJQANCHMSA-N 1 1 325.456 3.691 20 30 EHEDMO CCc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877023121 1137667786 /nfs/dbraw/zinc/66/77/86/1137667786.db2.gz FAMGAFRTAFFXDH-INIZCTEOSA-N 1 1 327.815 3.782 20 30 EHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877483734 1137677933 /nfs/dbraw/zinc/67/79/33/1137677933.db2.gz QRTRJMWAAFPLNM-HNNXBMFYSA-N 1 1 347.459 3.549 20 30 EHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877483734 1137677934 /nfs/dbraw/zinc/67/79/34/1137677934.db2.gz QRTRJMWAAFPLNM-HNNXBMFYSA-N 1 1 347.459 3.549 20 30 EHEDMO COc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)c(C)c1OC ZINC000877533221 1137680206 /nfs/dbraw/zinc/68/02/06/1137680206.db2.gz NDQKHDLBBMUPDQ-GFCCVEGCSA-N 1 1 345.830 3.783 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000877672732 1137685432 /nfs/dbraw/zinc/68/54/32/1137685432.db2.gz LYYOWIZBIWAZFA-LKUPVBHCSA-N 1 1 336.435 3.675 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2Cc3cccnc3N3CCC[C@H]3C2)cc1 ZINC000877763146 1137688789 /nfs/dbraw/zinc/68/87/89/1137688789.db2.gz ZZIUTGDPJAWLKZ-FQEVSTJZSA-N 1 1 346.478 3.867 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1Cc2ccccc2OC[C@H]1C)c1ccccc1 ZINC000878399199 1137714259 /nfs/dbraw/zinc/71/42/59/1137714259.db2.gz PBHWVAZMTMECLW-VGSWGCGISA-N 1 1 348.446 3.710 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1Cc2ccccc2OC[C@H]1C)c1ccccc1 ZINC000878399199 1137714260 /nfs/dbraw/zinc/71/42/60/1137714260.db2.gz PBHWVAZMTMECLW-VGSWGCGISA-N 1 1 348.446 3.710 20 30 EHEDMO Cn1ccc(-c2nc(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)cs2)n1 ZINC000878845027 1137729820 /nfs/dbraw/zinc/72/98/20/1137729820.db2.gz BYODUGBALZJNSX-UHFFFAOYSA-N 1 1 349.463 3.584 20 30 EHEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)cc1 ZINC000878906117 1137731871 /nfs/dbraw/zinc/73/18/71/1137731871.db2.gz IHJBUIWSFDZNCD-GOSISDBHSA-N 1 1 344.418 3.522 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3ccc(C(F)(F)F)cc3C2)cc1 ZINC000879104850 1137737988 /nfs/dbraw/zinc/73/79/88/1137737988.db2.gz RDIQODQHMWDPGV-SFHVURJKSA-N 1 1 346.352 3.669 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3ccc(C(F)(F)F)cc3C2)cc1 ZINC000879104850 1137737989 /nfs/dbraw/zinc/73/79/89/1137737989.db2.gz RDIQODQHMWDPGV-SFHVURJKSA-N 1 1 346.352 3.669 20 30 EHEDMO C[N@@H+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[C@@H]1C#N ZINC000879311792 1137743976 /nfs/dbraw/zinc/74/39/76/1137743976.db2.gz VPHPKGBWDNAXDA-BBWFWOEESA-N 1 1 335.492 3.648 20 30 EHEDMO C[N@@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000879311789 1137744020 /nfs/dbraw/zinc/74/40/20/1137744020.db2.gz VOQZLNDRHZAWJB-IAGOWNOFSA-N 1 1 335.492 3.648 20 30 EHEDMO C[C@@H](c1noc(-c2ccccc2)n1)[N@H+](C)CCc1cccc(C#N)c1 ZINC000879432618 1137747633 /nfs/dbraw/zinc/74/76/33/1137747633.db2.gz DGDAWWHDIFYTSK-HNNXBMFYSA-N 1 1 332.407 3.844 20 30 EHEDMO C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879432618 1137747634 /nfs/dbraw/zinc/74/76/34/1137747634.db2.gz DGDAWWHDIFYTSK-HNNXBMFYSA-N 1 1 332.407 3.844 20 30 EHEDMO Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)CCc2cccc(C#N)c2)c1C ZINC000879435080 1137747782 /nfs/dbraw/zinc/74/77/82/1137747782.db2.gz VNXAZYKIDLYLEF-KRWDZBQOSA-N 1 1 335.451 3.677 20 30 EHEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c1 ZINC000879564623 1137751190 /nfs/dbraw/zinc/75/11/90/1137751190.db2.gz IAJREINRQHBQLM-TZMCWYRMSA-N 1 1 337.286 3.506 20 30 EHEDMO N#Cc1ccc(-c2nnc(C[NH2+][C@@H]3CC=CC[C@H]3C(F)(F)F)o2)cc1 ZINC000879669101 1137754508 /nfs/dbraw/zinc/75/45/08/1137754508.db2.gz GCEPUCZEWFZJPM-ZIAGYGMSSA-N 1 1 348.328 3.595 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CF)C1 ZINC000880234519 1137771594 /nfs/dbraw/zinc/77/15/94/1137771594.db2.gz FRDMIOSZSROFCY-HUUCEWRRSA-N 1 1 349.475 3.558 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CF)C1 ZINC000880234519 1137771595 /nfs/dbraw/zinc/77/15/95/1137771595.db2.gz FRDMIOSZSROFCY-HUUCEWRRSA-N 1 1 349.475 3.558 20 30 EHEDMO CC(C)(C#N)CCCn1cc(C[NH2+][C@H]2CCCc3ccccc32)nn1 ZINC000881392334 1137806732 /nfs/dbraw/zinc/80/67/32/1137806732.db2.gz TXFRNRLKTYMBRA-IBGZPJMESA-N 1 1 337.471 3.775 20 30 EHEDMO N#Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1O ZINC000882950527 1137839568 /nfs/dbraw/zinc/83/95/68/1137839568.db2.gz PJHNXIQCDKMWHL-UHFFFAOYSA-N 1 1 335.407 3.502 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H](C)c1ccc(C#N)cc1 ZINC000103468813 1137876496 /nfs/dbraw/zinc/87/64/96/1137876496.db2.gz ODFIGCQHQFPRBO-MRXNPFEDSA-N 1 1 346.434 3.842 20 30 EHEDMO C=C(C)CN(CC)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000105025564 1137879876 /nfs/dbraw/zinc/87/98/76/1137879876.db2.gz FTWMVYBVEBPNSV-UHFFFAOYSA-N 1 1 333.501 3.665 20 30 EHEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000115552401 1137922233 /nfs/dbraw/zinc/92/22/33/1137922233.db2.gz KYPXHYBPNIZHPG-QFBILLFUSA-N 1 1 333.435 3.765 20 30 EHEDMO CSc1ccccc1C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000348303346 1137923578 /nfs/dbraw/zinc/92/35/78/1137923578.db2.gz DLUAOMQJMASALG-OAHLLOKOSA-N 1 1 345.512 3.571 20 30 EHEDMO CSc1ccccc1C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000348303346 1137923579 /nfs/dbraw/zinc/92/35/79/1137923579.db2.gz DLUAOMQJMASALG-OAHLLOKOSA-N 1 1 345.512 3.571 20 30 EHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1Br ZINC000121058021 1137954754 /nfs/dbraw/zinc/95/47/54/1137954754.db2.gz UTXONEBPXQSIAB-GFCCVEGCSA-N 1 1 325.250 3.674 20 30 EHEDMO COCOc1ccc(OC)cc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000121229711 1137956169 /nfs/dbraw/zinc/95/61/69/1137956169.db2.gz LQCXSYUXTAAIMG-LJQANCHMSA-N 1 1 340.423 3.813 20 30 EHEDMO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(F)cc1F ZINC000121326785 1137956913 /nfs/dbraw/zinc/95/69/13/1137956913.db2.gz UFQCZTBHNVGVFL-CQSZACIVSA-N 1 1 343.377 3.562 20 30 EHEDMO CSc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000348331228 1137969906 /nfs/dbraw/zinc/96/99/06/1137969906.db2.gz QTOBZTAFCYWRCY-AWEZNQCLSA-N 1 1 339.464 3.739 20 30 EHEDMO CSc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000348331228 1137969909 /nfs/dbraw/zinc/96/99/09/1137969909.db2.gz QTOBZTAFCYWRCY-AWEZNQCLSA-N 1 1 339.464 3.739 20 30 EHEDMO 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/nfs/dbraw/zinc/96/63/33/1015966333.db2.gz ULAZACOXUCYKGD-SCLBCKFNSA-N 1 1 349.425 3.532 20 30 EHEDMO C=C(C)CN(C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000180630660 1016019186 /nfs/dbraw/zinc/01/91/86/1016019186.db2.gz RCARFXPJJBVEMG-QGZVFWFLSA-N 1 1 329.488 3.636 20 30 EHEDMO CC1(C)C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@H]1O ZINC000278723600 1032140532 /nfs/dbraw/zinc/14/05/32/1032140532.db2.gz KVAUYSOGEOYHDD-OAQYLSRUSA-N 1 1 348.490 3.979 20 30 EHEDMO C=CCCCCC[N@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001209422751 1016246189 /nfs/dbraw/zinc/24/61/89/1016246189.db2.gz HNLLVLSXVBSEGQ-UHFFFAOYSA-N 1 1 328.504 3.905 20 30 EHEDMO C=C(Br)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000247794254 1016413007 /nfs/dbraw/zinc/41/30/07/1016413007.db2.gz ZKSLHIKQEUEZTD-ZIAGYGMSSA-N 1 1 328.250 3.856 20 30 EHEDMO C=C(Br)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000247794254 1016413017 /nfs/dbraw/zinc/41/30/17/1016413017.db2.gz ZKSLHIKQEUEZTD-ZIAGYGMSSA-N 1 1 328.250 3.856 20 30 EHEDMO C=C(C)Cn1c(CCC(C)C)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460951450 1032148848 /nfs/dbraw/zinc/14/88/48/1032148848.db2.gz KRPDHTZQVUNBRZ-ZWKOTPCHSA-N 1 1 347.551 3.609 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000340191218 1016658595 /nfs/dbraw/zinc/65/85/95/1016658595.db2.gz JDZBCFDXXSRVIZ-KRWDZBQOSA-N 1 1 339.483 4.000 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000340191218 1016658601 /nfs/dbraw/zinc/65/86/01/1016658601.db2.gz JDZBCFDXXSRVIZ-KRWDZBQOSA-N 1 1 339.483 4.000 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000247158909 1016699135 /nfs/dbraw/zinc/69/91/35/1016699135.db2.gz OBUNOEMKKOWKDO-HUUCEWRRSA-N 1 1 331.485 3.609 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000247158909 1016699145 /nfs/dbraw/zinc/69/91/45/1016699145.db2.gz OBUNOEMKKOWKDO-HUUCEWRRSA-N 1 1 331.485 3.609 20 30 EHEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cccc(C#N)c2C)c1 ZINC000178537659 1016716417 /nfs/dbraw/zinc/71/64/17/1016716417.db2.gz OPKLVXBFKARWRR-UHFFFAOYSA-N 1 1 336.439 3.640 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc([C@H]2CCCc3cc(OC)ccc32)no1 ZINC000904634578 1032169657 /nfs/dbraw/zinc/16/96/57/1032169657.db2.gz SRDPZSXWFCUZBJ-IRXDYDNUSA-N 1 1 327.428 3.903 20 30 EHEDMO C[N@@H+](CCc1cccc(NC(=O)C2(C#N)CCCCC2)c1)C1CC1 ZINC000538231451 1032239988 /nfs/dbraw/zinc/23/99/88/1032239988.db2.gz OCHYDIKDSLWMKL-UHFFFAOYSA-N 1 1 325.456 3.736 20 30 EHEDMO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CC[C@H](C#N)C1 ZINC000278753140 1032357947 /nfs/dbraw/zinc/35/79/47/1032357947.db2.gz XHTBPSNIAIQYSX-STQMWFEESA-N 1 1 339.361 3.658 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CC[C@H](C#N)C1 ZINC000278753140 1032357957 /nfs/dbraw/zinc/35/79/57/1032357957.db2.gz XHTBPSNIAIQYSX-STQMWFEESA-N 1 1 339.361 3.658 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459644476 1032364571 /nfs/dbraw/zinc/36/45/71/1032364571.db2.gz PMNBYAULLMXUKY-MRXNPFEDSA-N 1 1 338.373 3.739 20 30 EHEDMO FC(F)(F)[C@H]1CC[N@@H+](CC#Cc2ccccc2)CC12CCOCC2 ZINC000459673385 1032402044 /nfs/dbraw/zinc/40/20/44/1032402044.db2.gz YOCGACUMDJQHNL-KRWDZBQOSA-N 1 1 337.385 3.719 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1cn(-c2ccccc2)nn1 ZINC000185491095 1032404066 /nfs/dbraw/zinc/40/40/66/1032404066.db2.gz OOQPPODBKHVTDM-MRXNPFEDSA-N 1 1 345.450 3.919 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc1 ZINC000449424916 1032539456 /nfs/dbraw/zinc/53/94/56/1032539456.db2.gz PPWRXTAFZJVWMJ-RTWAWAEBSA-N 1 1 341.426 3.551 20 30 EHEDMO C=CCCC[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000537266762 1032587607 /nfs/dbraw/zinc/58/76/07/1032587607.db2.gz KRWQXNOXBKFHCL-WSTZPKSXSA-N 1 1 343.515 3.941 20 30 EHEDMO C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000602131142 1032662876 /nfs/dbraw/zinc/66/28/76/1032662876.db2.gz RBBAVNAOLYOGGS-WMZOPIPTSA-N 1 1 347.462 3.744 20 30 EHEDMO COc1ccc(C[N@@H+]2CC[C@H](OC)C(C)(C)C2)cc1OCCCC#N ZINC000449496078 1032664070 /nfs/dbraw/zinc/66/40/70/1032664070.db2.gz GALZUSHSQMSZMO-IBGZPJMESA-N 1 1 346.471 3.625 20 30 EHEDMO N#Cc1c(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)cn2ccccc12 ZINC000593054878 1032686965 /nfs/dbraw/zinc/68/69/65/1032686965.db2.gz MTMHBZPFEYETRZ-UHFFFAOYSA-N 1 1 337.320 3.677 20 30 EHEDMO CC(C)(CCC#N)CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000377162251 1017386025 /nfs/dbraw/zinc/38/60/25/1017386025.db2.gz KPQOFBDXFQVVTH-GOSISDBHSA-N 1 1 345.462 3.626 20 30 EHEDMO CC(C)(CCC#N)CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000377162251 1017386036 /nfs/dbraw/zinc/38/60/36/1017386036.db2.gz KPQOFBDXFQVVTH-GOSISDBHSA-N 1 1 345.462 3.626 20 30 EHEDMO C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 ZINC000472677837 1017423182 /nfs/dbraw/zinc/42/31/82/1017423182.db2.gz NGIRUOKNCAIDQI-MOPGFXCFSA-N 1 1 347.499 3.818 20 30 EHEDMO C[N@H+]1CCCN(c2ccc(N=Cc3cc(Cl)ccc3O)cc2)CC1 ZINC000255080122 1017441499 /nfs/dbraw/zinc/44/14/99/1017441499.db2.gz XPWRIHPAKWLSKC-UHFFFAOYSA-N 1 1 343.858 3.938 20 30 EHEDMO CCOC(=O)C1CCC([N@@H+](CC)Cc2cc(F)ccc2C#N)CC1 ZINC000549186364 1017563787 /nfs/dbraw/zinc/56/37/87/1017563787.db2.gz KSHVYUAXBAMVQN-UHFFFAOYSA-N 1 1 332.419 3.641 20 30 EHEDMO C=CCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000472743907 1017684773 /nfs/dbraw/zinc/68/47/73/1017684773.db2.gz BVFHUYBHLIZYOH-IAGOWNOFSA-N 1 1 335.879 3.741 20 30 EHEDMO C=CCCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000472743907 1017684781 /nfs/dbraw/zinc/68/47/81/1017684781.db2.gz BVFHUYBHLIZYOH-IAGOWNOFSA-N 1 1 335.879 3.741 20 30 EHEDMO C=CCCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000472743909 1017685446 /nfs/dbraw/zinc/68/54/46/1017685446.db2.gz BVFHUYBHLIZYOH-IRXDYDNUSA-N 1 1 335.879 3.741 20 30 EHEDMO C=CCCCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000472743909 1017685463 /nfs/dbraw/zinc/68/54/63/1017685463.db2.gz BVFHUYBHLIZYOH-IRXDYDNUSA-N 1 1 335.879 3.741 20 30 EHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000579959044 1017787188 /nfs/dbraw/zinc/78/71/88/1017787188.db2.gz DORJNSMPJWRMEN-CYBMUJFWSA-N 1 1 349.887 3.684 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C1(C#N)CCCCC1 ZINC000076388957 1018013441 /nfs/dbraw/zinc/01/34/41/1018013441.db2.gz FLWXWRGGAJRSGH-GOSISDBHSA-N 1 1 339.483 3.583 20 30 EHEDMO Cc1ccc(C#N)cc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000580008384 1018026294 /nfs/dbraw/zinc/02/62/94/1018026294.db2.gz HZZQUKHGTHVMNF-FQEVSTJZSA-N 1 1 336.435 3.537 20 30 EHEDMO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000471479670 1018135575 /nfs/dbraw/zinc/13/55/75/1018135575.db2.gz HYJMBIDYPDHPNK-SFHVURJKSA-N 1 1 341.455 3.670 20 30 EHEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCCC[C@@H]3c3ccco3)C2=O)cc1 ZINC000580035366 1018349791 /nfs/dbraw/zinc/34/97/91/1018349791.db2.gz ZRHSXEHANQESSA-MOPGFXCFSA-N 1 1 349.434 3.874 20 30 EHEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCCC[C@@H]3c3ccco3)C2=O)cc1 ZINC000580035366 1018349807 /nfs/dbraw/zinc/34/98/07/1018349807.db2.gz ZRHSXEHANQESSA-MOPGFXCFSA-N 1 1 349.434 3.874 20 30 EHEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000610351237 1018400503 /nfs/dbraw/zinc/40/05/03/1018400503.db2.gz ZGBDOECLGOFCQJ-LPHOPBHVSA-N 1 1 342.487 3.573 20 30 EHEDMO C[C@H]1C[C@@H](NC(=O)Nc2ccccc2C#Cc2ccccc2)CC[N@H+]1C ZINC000472880271 1018450577 /nfs/dbraw/zinc/45/05/77/1018450577.db2.gz JKZWHIONTZTSBK-PXNSSMCTSA-N 1 1 347.462 3.691 20 30 EHEDMO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000015548168 1018757090 /nfs/dbraw/zinc/75/70/90/1018757090.db2.gz QFWGMMRZZMFPKD-FQEVSTJZSA-N 1 1 349.434 3.733 20 30 EHEDMO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000015548168 1018757107 /nfs/dbraw/zinc/75/71/07/1018757107.db2.gz QFWGMMRZZMFPKD-FQEVSTJZSA-N 1 1 349.434 3.733 20 30 EHEDMO COc1cc(CNC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)ccc1C#N ZINC000398016302 1018952039 /nfs/dbraw/zinc/95/20/39/1018952039.db2.gz QMLGRABLHSRZBB-QFIPXVFZSA-N 1 1 349.478 3.711 20 30 EHEDMO COc1cc(CNC[C@]2(C)CCC[N@H+]2Cc2ccccc2)ccc1C#N ZINC000398016302 1018952063 /nfs/dbraw/zinc/95/20/63/1018952063.db2.gz QMLGRABLHSRZBB-QFIPXVFZSA-N 1 1 349.478 3.711 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000614396071 1018956568 /nfs/dbraw/zinc/95/65/68/1018956568.db2.gz UAAIULHXOKZUEX-UHFFFAOYSA-N 1 1 337.442 3.714 20 30 EHEDMO Cc1cc(C#N)ccc1CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000614396071 1018956584 /nfs/dbraw/zinc/95/65/84/1018956584.db2.gz UAAIULHXOKZUEX-UHFFFAOYSA-N 1 1 337.442 3.714 20 30 EHEDMO Cc1cc(C#N)ccc1CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000614396071 1018956595 /nfs/dbraw/zinc/95/65/95/1018956595.db2.gz UAAIULHXOKZUEX-UHFFFAOYSA-N 1 1 337.442 3.714 20 30 EHEDMO Cc1cc(C#N)ccc1CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000614401054 1018975977 /nfs/dbraw/zinc/97/59/77/1018975977.db2.gz YVHLETWPBPYKED-QUCCMNQESA-N 1 1 325.500 3.953 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c(Br)c1 ZINC000594026278 1032799287 /nfs/dbraw/zinc/79/92/87/1032799287.db2.gz HZKHPXJOTQSQSB-MRXNPFEDSA-N 1 1 349.272 3.854 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c(Br)c1 ZINC000594026278 1032799299 /nfs/dbraw/zinc/79/92/99/1032799299.db2.gz HZKHPXJOTQSQSB-MRXNPFEDSA-N 1 1 349.272 3.854 20 30 EHEDMO Cc1cc(C#N)ccc1CN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000614405665 1018986395 /nfs/dbraw/zinc/98/63/95/1018986395.db2.gz ABCSLPXWIRGGLY-MRXNPFEDSA-N 1 1 325.481 3.807 20 30 EHEDMO Cc1cc(C#N)ccc1C[NH+]1CCN([C@H](C)c2ccsc2)CC1 ZINC000614405665 1018986404 /nfs/dbraw/zinc/98/64/04/1018986404.db2.gz ABCSLPXWIRGGLY-MRXNPFEDSA-N 1 1 325.481 3.807 20 30 EHEDMO C[C@H]1C[C@@H](Nc2nc3c(cc2C#N)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000379678237 1019093402 /nfs/dbraw/zinc/09/34/02/1019093402.db2.gz FMVWSRFIMJWNKI-JXFKEZNVSA-N 1 1 346.478 3.907 20 30 EHEDMO Cc1cc(N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)nc(C(C)C)n1 ZINC000182738938 1019740147 /nfs/dbraw/zinc/74/01/47/1019740147.db2.gz HCRWBAWWMZYWKT-KRWDZBQOSA-N 1 1 349.482 3.663 20 30 EHEDMO CC(C)c1ccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000513666401 1019931964 /nfs/dbraw/zinc/93/19/64/1019931964.db2.gz MGHQZIDHEKHJFI-XMSQKQJNSA-N 1 1 345.446 3.655 20 30 EHEDMO CC(C)c1ccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000513666401 1019931975 /nfs/dbraw/zinc/93/19/75/1019931975.db2.gz MGHQZIDHEKHJFI-XMSQKQJNSA-N 1 1 345.446 3.655 20 30 EHEDMO C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1Cl)C(=O)NC1(C#N)CCC1 ZINC000345114501 1019958479 /nfs/dbraw/zinc/95/84/79/1019958479.db2.gz RIYYMGWVWQECDA-GHMZBOCLSA-N 1 1 340.254 3.595 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000345302868 1020141272 /nfs/dbraw/zinc/14/12/72/1020141272.db2.gz SLPPZTDSZXRCBT-RBSFLKMASA-N 1 1 346.500 3.543 20 30 EHEDMO C[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)C[C@H](c2ccsc2)O1 ZINC000156711274 1020279582 /nfs/dbraw/zinc/27/95/82/1020279582.db2.gz OXYCBLWULFDJDA-DNVCBOLYSA-N 1 1 342.464 3.851 20 30 EHEDMO C[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)C[C@H](c2ccsc2)O1 ZINC000156711274 1020279593 /nfs/dbraw/zinc/27/95/93/1020279593.db2.gz OXYCBLWULFDJDA-DNVCBOLYSA-N 1 1 342.464 3.851 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC(C)C)C2)c(C#N)c1C ZINC000345852173 1020556913 /nfs/dbraw/zinc/55/69/13/1020556913.db2.gz VFQPYBUNAUEGAT-ZBFHGGJFSA-N 1 1 331.460 3.853 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC(C)C)C2)c(C#N)c1C ZINC000345852173 1020556919 /nfs/dbraw/zinc/55/69/19/1020556919.db2.gz VFQPYBUNAUEGAT-ZBFHGGJFSA-N 1 1 331.460 3.853 20 30 EHEDMO CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872469 1032918153 /nfs/dbraw/zinc/91/81/53/1032918153.db2.gz GPABTLXTLSKKCU-FPOVZHCZSA-N 1 1 333.435 3.917 20 30 EHEDMO CC(=O)Nc1ccccc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872469 1032918159 /nfs/dbraw/zinc/91/81/59/1032918159.db2.gz GPABTLXTLSKKCU-FPOVZHCZSA-N 1 1 333.435 3.917 20 30 EHEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(CN2CCc3ccccc32)cc1 ZINC000558506808 1020788431 /nfs/dbraw/zinc/78/84/31/1020788431.db2.gz MEFVMGMDXVMYJJ-FQEVSTJZSA-N 1 1 344.462 3.782 20 30 EHEDMO C=CC[S@@](=O)(=NC(=O)C[C@H](C)n1cc[nH+]c1CC)c1ccccc1 ZINC000891381617 1020810226 /nfs/dbraw/zinc/81/02/26/1020810226.db2.gz DWSIJFBYBQGQIL-OWJWWREXSA-N 1 1 345.468 3.636 20 30 EHEDMO C=CC[S@](=O)(=NC(=O)C[C@H](C)n1cc[nH+]c1CC)c1ccccc1 ZINC000891381615 1020810311 /nfs/dbraw/zinc/81/03/11/1020810311.db2.gz DWSIJFBYBQGQIL-IZHWHUGBSA-N 1 1 345.468 3.636 20 30 EHEDMO Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc(C#N)n1 ZINC000308280151 1021067435 /nfs/dbraw/zinc/06/74/35/1021067435.db2.gz RRUFDTJVDLAXIT-FQEVSTJZSA-N 1 1 334.467 3.974 20 30 EHEDMO Cc1oc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)c(C#N)c1C ZINC000097010607 1021102050 /nfs/dbraw/zinc/10/20/50/1021102050.db2.gz MQBYLMGAGXIQOP-LBPRGKRZSA-N 1 1 329.375 3.539 20 30 EHEDMO Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)cc2)c(C#N)c1C ZINC000097010607 1021102055 /nfs/dbraw/zinc/10/20/55/1021102055.db2.gz MQBYLMGAGXIQOP-LBPRGKRZSA-N 1 1 329.375 3.539 20 30 EHEDMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1F ZINC000439261408 1021285700 /nfs/dbraw/zinc/28/57/00/1021285700.db2.gz MTVLNUFKMFJIJK-FQEVSTJZSA-N 1 1 326.415 3.861 20 30 EHEDMO C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000439314434 1021342196 /nfs/dbraw/zinc/34/21/96/1021342196.db2.gz JVIZQXAIYIXIFM-APWZRJJASA-N 1 1 333.435 3.765 20 30 EHEDMO COCC[N@H+](CC#Cc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000426366875 1021383206 /nfs/dbraw/zinc/38/32/06/1021383206.db2.gz TVHKNYWITCJCFA-UHFFFAOYSA-N 1 1 338.838 3.712 20 30 EHEDMO COCC[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000426366875 1021383224 /nfs/dbraw/zinc/38/32/24/1021383224.db2.gz TVHKNYWITCJCFA-UHFFFAOYSA-N 1 1 338.838 3.712 20 30 EHEDMO C=C1CC[NH+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000518677574 1021426658 /nfs/dbraw/zinc/42/66/58/1021426658.db2.gz WXFTYNSZXYYNLL-NRFANRHFSA-N 1 1 334.463 3.739 20 30 EHEDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439441875 1021441086 /nfs/dbraw/zinc/44/10/86/1021441086.db2.gz LAEHTWNQSLBPMD-HNNXBMFYSA-N 1 1 347.890 3.586 20 30 EHEDMO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC000439488907 1021479437 /nfs/dbraw/zinc/47/94/37/1021479437.db2.gz AFNYKDAMEMQOMQ-OXJNMPFZSA-N 1 1 344.430 3.641 20 30 EHEDMO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC000439482144 1021489912 /nfs/dbraw/zinc/48/99/12/1021489912.db2.gz QZVJMQYLHYCXMR-OXJNMPFZSA-N 1 1 344.430 3.641 20 30 EHEDMO CSCCC[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000439485791 1021493651 /nfs/dbraw/zinc/49/36/51/1021493651.db2.gz JHZZNLVBDWEXGS-QGZVFWFLSA-N 1 1 347.528 3.624 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)c(C(F)(F)F)c1 ZINC000518772327 1021529756 /nfs/dbraw/zinc/52/97/56/1021529756.db2.gz MFLCBGJGEOJSTI-HNNXBMFYSA-N 1 1 331.341 3.962 20 30 EHEDMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC1(C#N)CCCC1 ZINC000593650658 1032998138 /nfs/dbraw/zinc/99/81/38/1032998138.db2.gz XJGHRGVRHAKNMA-UHFFFAOYSA-N 1 1 326.419 3.802 20 30 EHEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CC(=O)NCc1ccc(C#N)cc1 ZINC000519909041 1021760947 /nfs/dbraw/zinc/76/09/47/1021760947.db2.gz FDNHFKQBXBCUQH-FQEVSTJZSA-N 1 1 335.451 3.648 20 30 EHEDMO C=CC[C@@H]1CCCN(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000664630734 1021819084 /nfs/dbraw/zinc/81/90/84/1021819084.db2.gz UYHGFDUIANKQMH-KURKYZTESA-N 1 1 333.520 3.637 20 30 EHEDMO Cc1ccc(-c2nn(C)cc2C[N@H+](C)Cc2cc(C#N)cs2)o1 ZINC000897624660 1033008890 /nfs/dbraw/zinc/00/88/90/1033008890.db2.gz UFECDTWJYQCYTA-UHFFFAOYSA-N 1 1 326.425 3.554 20 30 EHEDMO Cc1ccc(-c2nn(C)cc2C[N@@H+](C)Cc2cc(C#N)cs2)o1 ZINC000897624660 1033008905 /nfs/dbraw/zinc/00/89/05/1033008905.db2.gz UFECDTWJYQCYTA-UHFFFAOYSA-N 1 1 326.425 3.554 20 30 EHEDMO C=CCC1(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000276569853 1021852900 /nfs/dbraw/zinc/85/29/00/1021852900.db2.gz AOLYALCXASTTLR-IEBWSBKVSA-N 1 1 326.484 3.760 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)c2ccc(C#N)cc2)cc1)C1CC1 ZINC000440065805 1021931363 /nfs/dbraw/zinc/93/13/63/1021931363.db2.gz WDZXQDPOEGRQNV-UHFFFAOYSA-N 1 1 333.435 3.819 20 30 EHEDMO CC[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(Cl)cc1 ZINC000520174129 1021987709 /nfs/dbraw/zinc/98/77/09/1021987709.db2.gz VANAYZZERYEUIT-UHFFFAOYSA-N 1 1 333.863 3.505 20 30 EHEDMO CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(Cl)cc1 ZINC000520174129 1021987715 /nfs/dbraw/zinc/98/77/15/1021987715.db2.gz VANAYZZERYEUIT-UHFFFAOYSA-N 1 1 333.863 3.505 20 30 EHEDMO C=CC[N@H+](CCC(=O)N(C)c1ccccc1)Cc1ccccc1F ZINC000441161339 1022022765 /nfs/dbraw/zinc/02/27/65/1022022765.db2.gz ZGSSKUKMRYYNNL-UHFFFAOYSA-N 1 1 326.415 3.867 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000517244249 1022165436 /nfs/dbraw/zinc/16/54/36/1022165436.db2.gz DJDAPTKOVJFVMX-GOSISDBHSA-N 1 1 340.492 3.785 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000602651513 1033040122 /nfs/dbraw/zinc/04/01/22/1033040122.db2.gz RUTZDXIAMFEXAA-UYAOXDASSA-N 1 1 341.499 3.530 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000438043354 1022344415 /nfs/dbraw/zinc/34/44/15/1022344415.db2.gz UKWITRRNGVJANT-KFWWJZLASA-N 1 1 346.500 3.685 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)NCC2(C#N)CCCC2)cc1)C(C)C ZINC000593778315 1033053522 /nfs/dbraw/zinc/05/35/22/1033053522.db2.gz NHARAIBYDSOQEY-UHFFFAOYSA-N 1 1 327.472 3.731 20 30 EHEDMO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000328748616 1022481064 /nfs/dbraw/zinc/48/10/64/1022481064.db2.gz QNASNIOVNTYXGD-WBVHZDCISA-N 1 1 332.492 3.525 20 30 EHEDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000303768184 1022527349 /nfs/dbraw/zinc/52/73/49/1022527349.db2.gz QEXVYLRJSDFYSF-MSOLQXFVSA-N 1 1 339.483 3.516 20 30 EHEDMO C[C@H]1CCN(CCOc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000383065061 1022593036 /nfs/dbraw/zinc/59/30/36/1022593036.db2.gz CXGCIYCCJVZQFX-IBGZPJMESA-N 1 1 349.478 3.533 20 30 EHEDMO N#CC1(F)CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000348699115 1022602576 /nfs/dbraw/zinc/60/25/76/1022602576.db2.gz AKAVJSNPUGFBMW-UHFFFAOYSA-N 1 1 329.331 3.682 20 30 EHEDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1sc2ccc(C#N)cc2c1C ZINC000550157051 1022609205 /nfs/dbraw/zinc/60/92/05/1022609205.db2.gz UBPTZOYKHKUDEP-LBPRGKRZSA-N 1 1 329.469 3.542 20 30 EHEDMO CC(C)Oc1ccccc1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330664625 1022631999 /nfs/dbraw/zinc/63/19/99/1022631999.db2.gz UQOKQBMPFDYXAA-IYBDPMFKSA-N 1 1 348.487 3.666 20 30 EHEDMO CC(C)Oc1ccccc1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330664625 1022632007 /nfs/dbraw/zinc/63/20/07/1022632007.db2.gz UQOKQBMPFDYXAA-IYBDPMFKSA-N 1 1 348.487 3.666 20 30 EHEDMO N#Cc1cccc(C[NH+]2CC(Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC000602690934 1033070534 /nfs/dbraw/zinc/07/05/34/1033070534.db2.gz SHOCGXVVANGCBT-UHFFFAOYSA-N 1 1 331.341 3.647 20 30 EHEDMO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(OCC(C)C)c1 ZINC000331028531 1022723692 /nfs/dbraw/zinc/72/36/92/1022723692.db2.gz WWKYSRUYKYKXDT-LSDHHAIUSA-N 1 1 334.460 3.517 20 30 EHEDMO CC[C@H](C)n1ncc(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1C ZINC000331083143 1022736501 /nfs/dbraw/zinc/73/65/01/1022736501.db2.gz MZBWIPVDRHVRJC-CABCVRRESA-N 1 1 334.508 3.978 20 30 EHEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000331076949 1022736932 /nfs/dbraw/zinc/73/69/32/1022736932.db2.gz WUZNNJUFYRGRRO-IXDOHACOSA-N 1 1 341.499 3.584 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(OC)cc1OC ZINC000510624917 1022780977 /nfs/dbraw/zinc/78/09/77/1022780977.db2.gz NYOKDNFBQXERHM-UHFFFAOYSA-N 1 1 327.424 3.901 20 30 EHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(OC)cc1OC ZINC000510624917 1022780984 /nfs/dbraw/zinc/78/09/84/1022780984.db2.gz NYOKDNFBQXERHM-UHFFFAOYSA-N 1 1 327.424 3.901 20 30 EHEDMO C=CC[C@@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000188567119 1022825847 /nfs/dbraw/zinc/82/58/47/1022825847.db2.gz VUJOQQLHXIGIKV-GOSISDBHSA-N 1 1 340.492 3.582 20 30 EHEDMO C=CC[C@@H](C(=O)NCC[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000188567119 1022825862 /nfs/dbraw/zinc/82/58/62/1022825862.db2.gz VUJOQQLHXIGIKV-GOSISDBHSA-N 1 1 340.492 3.582 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000506309095 1022898814 /nfs/dbraw/zinc/89/88/14/1022898814.db2.gz JFHGSRBEICHTAH-OXQOHEQNSA-N 1 1 348.450 3.710 20 30 EHEDMO C[C@H](CCC#N)C[N@@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000602707981 1033096263 /nfs/dbraw/zinc/09/62/63/1033096263.db2.gz XDQGHQGXOAPTBE-CRAIPNDOSA-N 1 1 328.456 3.867 20 30 EHEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(C#N)cc1Cl ZINC000426144812 1022987510 /nfs/dbraw/zinc/98/75/10/1022987510.db2.gz WUMPCYPNZPMCMZ-HZSPNIEDSA-N 1 1 348.878 3.700 20 30 EHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602709429 1033095674 /nfs/dbraw/zinc/09/56/74/1033095674.db2.gz SYWRGESYEJQQRI-LLVKDONJSA-N 1 1 327.306 3.739 20 30 EHEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602709429 1033095686 /nfs/dbraw/zinc/09/56/86/1033095686.db2.gz SYWRGESYEJQQRI-LLVKDONJSA-N 1 1 327.306 3.739 20 30 EHEDMO C=CC(C)(C)CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000458992854 1023039856 /nfs/dbraw/zinc/03/98/56/1023039856.db2.gz WRQDGOADDBNORO-PKOBYXMFSA-N 1 1 343.515 3.893 20 30 EHEDMO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)n2)c2ccccc21 ZINC000602713573 1033100765 /nfs/dbraw/zinc/10/07/65/1033100765.db2.gz VZRGTRGRBJVUMM-RBUKOAKNSA-N 1 1 349.434 3.613 20 30 EHEDMO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000426807472 1023045530 /nfs/dbraw/zinc/04/55/30/1023045530.db2.gz HXQQNCZOSIALIJ-GFCCVEGCSA-N 1 1 327.255 3.845 20 30 EHEDMO CC(C)CC[C@H]1CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001168112368 1033105948 /nfs/dbraw/zinc/10/59/48/1033105948.db2.gz IVXCAXCYFANLNZ-QUCCMNQESA-N 1 1 339.483 3.954 20 30 EHEDMO C[N@@H+]1CCC[C@@H](CNCc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000108428764 1023127321 /nfs/dbraw/zinc/12/73/21/1023127321.db2.gz JUNRFZYUMGQIBI-NRFANRHFSA-N 1 1 349.478 3.569 20 30 EHEDMO C[N@H+]1CCC[C@@H](CNCc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000108428764 1023127330 /nfs/dbraw/zinc/12/73/30/1023127330.db2.gz JUNRFZYUMGQIBI-NRFANRHFSA-N 1 1 349.478 3.569 20 30 EHEDMO CN1CCC[C@@H](C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000108428764 1023127339 /nfs/dbraw/zinc/12/73/39/1023127339.db2.gz JUNRFZYUMGQIBI-NRFANRHFSA-N 1 1 349.478 3.569 20 30 EHEDMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc(C#N)cc1C1CC1 ZINC000933843707 1023142028 /nfs/dbraw/zinc/14/20/28/1023142028.db2.gz BBUYXJCCNJJDLK-UHFFFAOYSA-N 1 1 337.427 3.543 20 30 EHEDMO Cc1sc(NC(=O)C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c(C#N)c1C ZINC000427018035 1023171581 /nfs/dbraw/zinc/17/15/81/1023171581.db2.gz YPGAUAKXVKWZMI-LJQANCHMSA-N 1 1 343.496 3.997 20 30 EHEDMO Cc1sc(NC(=O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)c(C#N)c1C ZINC000427018035 1023171589 /nfs/dbraw/zinc/17/15/89/1023171589.db2.gz YPGAUAKXVKWZMI-LJQANCHMSA-N 1 1 343.496 3.997 20 30 EHEDMO C=C(CC)CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000459081955 1023243456 /nfs/dbraw/zinc/24/34/56/1023243456.db2.gz RFTRTVAUWMNANP-MJGOQNOKSA-N 1 1 329.488 3.647 20 30 EHEDMO C=C(CC)CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000459075131 1023249759 /nfs/dbraw/zinc/24/97/59/1023249759.db2.gz KTLSHOJYNUDLJF-UHFFFAOYSA-N 1 1 341.499 3.650 20 30 EHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)CC1CCC2(CC1)OCCO2 ZINC000190195606 1023256752 /nfs/dbraw/zinc/25/67/52/1023256752.db2.gz VVQJBQZRVAQEGW-UHFFFAOYSA-N 1 1 331.456 3.617 20 30 EHEDMO C[N@@H+](CC1(CC#N)CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000602761881 1033132910 /nfs/dbraw/zinc/13/29/10/1033132910.db2.gz BQSJRJVMYRZQQY-HUUCEWRRSA-N 1 1 325.239 3.577 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000187669144 1023485188 /nfs/dbraw/zinc/48/51/88/1023485188.db2.gz VSTAFWVTTXNGFJ-PKOBYXMFSA-N 1 1 347.462 3.761 20 30 EHEDMO CC(C)(C#N)CCC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000375767848 1033146704 /nfs/dbraw/zinc/14/67/04/1033146704.db2.gz JVJUEEBSZLVVAQ-OAQYLSRUSA-N 1 1 325.500 3.914 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000375767848 1033146717 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CC#CC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000550500151 1024005858 /nfs/dbraw/zinc/00/58/58/1024005858.db2.gz NQYLDEWRJPQVGL-RYUDHWBXSA-N 1 1 327.255 3.514 20 30 EHEDMO CC#CC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000550500151 1024005869 /nfs/dbraw/zinc/00/58/69/1024005869.db2.gz NQYLDEWRJPQVGL-RYUDHWBXSA-N 1 1 327.255 3.514 20 30 EHEDMO CN(CC1(CC#N)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)CC1(CC#N)CC1 ZINC000602805939 1033180728 /nfs/dbraw/zinc/18/07/28/1033180728.db2.gz PVBAPOIEBIYNDN-HDICACEKSA-N 1 1 328.504 3.549 20 30 EHEDMO CN(CC1(CC#N)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)CC1(CC#N)CC1 ZINC000602805939 1033180739 /nfs/dbraw/zinc/18/07/39/1033180739.db2.gz PVBAPOIEBIYNDN-HDICACEKSA-N 1 1 328.504 3.549 20 30 EHEDMO CN(CC1(CC#N)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)CC1(CC#N)CC1 ZINC000602805939 1033180748 /nfs/dbraw/zinc/18/07/48/1033180748.db2.gz PVBAPOIEBIYNDN-HDICACEKSA-N 1 1 328.504 3.549 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1)[C@H](C)C(C)(C)C ZINC000346030619 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334.485 3.610 20 30 EHEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)C[C@@H](c2ccsc2)O1 ZINC000281153716 1024304048 /nfs/dbraw/zinc/30/40/48/1024304048.db2.gz BMWPLOCMHVLDJO-WBVHZDCISA-N 1 1 334.485 3.610 20 30 EHEDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](CCCCC(C)(C)C#N)C[C@@H]2C1 ZINC000366592292 1024349292 /nfs/dbraw/zinc/34/92/92/1024349292.db2.gz PQRUXANVLUHHKS-IYBDPMFKSA-N 1 1 335.492 3.505 20 30 EHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)C1 ZINC000330236226 1024365614 /nfs/dbraw/zinc/36/56/14/1024365614.db2.gz HGLXVTJOXSYNKG-OIISXLGYSA-N 1 1 327.476 3.724 20 30 EHEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)C1 ZINC000330236226 1024365631 /nfs/dbraw/zinc/36/56/31/1024365631.db2.gz HGLXVTJOXSYNKG-OIISXLGYSA-N 1 1 327.476 3.724 20 30 EHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)C1 ZINC000330236226 1024365648 /nfs/dbraw/zinc/36/56/48/1024365648.db2.gz HGLXVTJOXSYNKG-OIISXLGYSA-N 1 1 327.476 3.724 20 30 EHEDMO C[C@@H]1C[N@H+](CCCOc2cccc3ccccc32)C[C@H](C)N1CC#N ZINC000602858509 1033211718 /nfs/dbraw/zinc/21/17/18/1033211718.db2.gz SMHPASMCYYQUEY-HDICACEKSA-N 1 1 337.467 3.527 20 30 EHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000892047825 1024471787 /nfs/dbraw/zinc/47/17/87/1024471787.db2.gz CZTYFJITPRSNJN-UKRRQHHQSA-N 1 1 349.500 3.745 20 30 EHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000514522994 1024535889 /nfs/dbraw/zinc/53/58/89/1024535889.db2.gz RNOUNXUHLQSBPV-SFTDATJTSA-N 1 1 337.463 3.992 20 30 EHEDMO CC[NH+](CC)[C@H](CNCc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000327758846 1024557752 /nfs/dbraw/zinc/55/77/52/1024557752.db2.gz IEPFKSPIUSMIDW-HXUWFJFHSA-N 1 1 337.467 3.740 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)c1 ZINC000895716531 1024758692 /nfs/dbraw/zinc/75/86/92/1024758692.db2.gz IHKNCTQPSUTCTJ-INIZCTEOSA-N 1 1 333.863 3.635 20 30 EHEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000507914670 1024763608 /nfs/dbraw/zinc/76/36/08/1024763608.db2.gz QJGRDQSZYKTASQ-HNNXBMFYSA-N 1 1 341.405 3.715 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cccc(C#N)c1 ZINC000346477427 1024764800 /nfs/dbraw/zinc/76/48/00/1024764800.db2.gz FMJXJCWFGZBDPP-DLBZAZTESA-N 1 1 348.450 3.685 20 30 EHEDMO Cc1ccccc1C[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CC1 ZINC000346503661 1024781717 /nfs/dbraw/zinc/78/17/17/1024781717.db2.gz PQOJXMYRKIELBC-UHFFFAOYSA-N 1 1 333.435 3.860 20 30 EHEDMO C=CCCCS(=O)(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000427781123 1024791594 /nfs/dbraw/zinc/79/15/94/1024791594.db2.gz HZWNHUALZKKCTG-MRXNPFEDSA-N 1 1 336.501 3.769 20 30 EHEDMO CC1(C)CCCc2cc(C#N)c(N3CCC[C@H](c4[nH]cc[nH+]4)C3)nc21 ZINC000428112450 1024999901 /nfs/dbraw/zinc/99/99/01/1024999901.db2.gz LQYQGCBSBORGDC-HNNXBMFYSA-N 1 1 335.455 3.674 20 30 EHEDMO CN(Cc1cccc(F)c1C#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000428220673 1025054018 /nfs/dbraw/zinc/05/40/18/1025054018.db2.gz RPXUBXGHCLUSLI-IBGZPJMESA-N 1 1 337.442 3.794 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000425403522 1025081590 /nfs/dbraw/zinc/08/15/90/1025081590.db2.gz KCSFTMURKPQFRM-YESZJQIVSA-N 1 1 342.487 3.524 20 30 EHEDMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000185451058 1025093522 /nfs/dbraw/zinc/09/35/22/1025093522.db2.gz NLMOTFVTIRAMOB-CQSZACIVSA-N 1 1 329.444 3.638 20 30 EHEDMO C=CCC[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C)c1ccccc1 ZINC000435761368 1025125242 /nfs/dbraw/zinc/12/52/42/1025125242.db2.gz MJAPBNAPEBICNQ-RTBURBONSA-N 1 1 329.488 3.676 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@H](C)O1 ZINC000435774166 1025131367 /nfs/dbraw/zinc/13/13/67/1025131367.db2.gz ZHOKIYULXABIDJ-CALCHBBNSA-N 1 1 336.435 3.746 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@H](C)O1 ZINC000435774166 1025131377 /nfs/dbraw/zinc/13/13/77/1025131377.db2.gz ZHOKIYULXABIDJ-CALCHBBNSA-N 1 1 336.435 3.746 20 30 EHEDMO C[NH+](C)C[C@@H](NCC1(CC#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000602916328 1033263774 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COc1cc(NC(=O)C[N@H+]2CC[C@@H](C)C3(CCC3)C2)cc(OC)c1 ZINC000329159292 1025632290 /nfs/dbraw/zinc/63/22/90/1025632290.db2.gz XNHFQOJIBYLVFL-CQSZACIVSA-N 1 1 332.444 3.804 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N(C)CC1CCCCC1 ZINC000425532253 1025659417 /nfs/dbraw/zinc/65/94/17/1025659417.db2.gz IVUGHJABNKCHAR-MRXNPFEDSA-N 1 1 327.472 3.590 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N(C)CC1CCCCC1 ZINC000425532253 1025659429 /nfs/dbraw/zinc/65/94/29/1025659429.db2.gz IVUGHJABNKCHAR-MRXNPFEDSA-N 1 1 327.472 3.590 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000425529853 1025662926 /nfs/dbraw/zinc/66/29/26/1025662926.db2.gz CTKLDQFGCAMBAH-INIZCTEOSA-N 1 1 341.499 3.836 20 30 EHEDMO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c(F)c1 ZINC000425537283 1025671028 /nfs/dbraw/zinc/67/10/28/1025671028.db2.gz QIVZAFCRKPLFQJ-ZDUSSCGKSA-N 1 1 326.371 3.677 20 30 EHEDMO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c(F)c1 ZINC000425537283 1025671035 /nfs/dbraw/zinc/67/10/35/1025671035.db2.gz QIVZAFCRKPLFQJ-ZDUSSCGKSA-N 1 1 326.371 3.677 20 30 EHEDMO CC(=O)c1ccc(NC(=O)CC[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425538214 1025674619 /nfs/dbraw/zinc/67/46/19/1025674619.db2.gz RTNYZPKABUEREA-OAHLLOKOSA-N 1 1 349.434 3.782 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)Cc1cccc(Cl)c1 ZINC000425541373 1025692225 /nfs/dbraw/zinc/69/22/25/1025692225.db2.gz WSRVZUIYBNJZQH-IFXJQAMLSA-N 1 1 328.843 3.808 20 30 EHEDMO Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425543013 1025694088 /nfs/dbraw/zinc/69/40/88/1025694088.db2.gz RJAXSCVBKMAHFM-XLIONFOSSA-N 1 1 338.451 3.608 20 30 EHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000425544677 1025702655 /nfs/dbraw/zinc/70/26/55/1025702655.db2.gz RFJHXIQLHWDTKI-YLJYHZDGSA-N 1 1 327.472 3.514 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000187730037 1025757080 /nfs/dbraw/zinc/75/70/80/1025757080.db2.gz OOXADHFBANBIJL-GOSISDBHSA-N 1 1 344.462 3.699 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000187730037 1025757096 /nfs/dbraw/zinc/75/70/96/1025757096.db2.gz OOXADHFBANBIJL-GOSISDBHSA-N 1 1 344.462 3.699 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000187730037 1025757111 /nfs/dbraw/zinc/75/71/11/1025757111.db2.gz OOXADHFBANBIJL-GOSISDBHSA-N 1 1 344.462 3.699 20 30 EHEDMO C[C@H]1C[C@@H](C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC(=O)N1 ZINC000329333656 1025760951 /nfs/dbraw/zinc/76/09/51/1025760951.db2.gz KITBIWDYMSLSLE-DZGCQCFKSA-N 1 1 347.484 3.578 20 30 EHEDMO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)nc1 ZINC000896653164 1025810228 /nfs/dbraw/zinc/81/02/28/1025810228.db2.gz AFLTUFCBBHTDAN-KRWDZBQOSA-N 1 1 331.423 3.511 20 30 EHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000093419964 1025841814 /nfs/dbraw/zinc/84/18/14/1025841814.db2.gz NKWAVTAJIASOOB-HOTGVXAUSA-N 1 1 337.508 3.942 20 30 EHEDMO Cc1nc(NC(=O)[C@H](C)[N@H+]2CCC3(CCOCC3)[C@H]2C)sc1C ZINC000329469371 1025885806 /nfs/dbraw/zinc/88/58/06/1025885806.db2.gz XMBTUBXOBNEJOP-GXTWGEPZSA-N 1 1 337.489 3.627 20 30 EHEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000185803033 1025909652 /nfs/dbraw/zinc/90/96/52/1025909652.db2.gz MAOWPARKOIDKNW-LJQANCHMSA-N 1 1 333.435 3.724 20 30 EHEDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000451413106 1025949821 /nfs/dbraw/zinc/94/98/21/1025949821.db2.gz YCZKZEKKZJKDTM-TZMCWYRMSA-N 1 1 339.361 3.550 20 30 EHEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)c1ccc(F)c(F)c1 ZINC000187756925 1025994399 /nfs/dbraw/zinc/99/43/99/1025994399.db2.gz MRJGACZSSPRCFX-KUHUBIRLSA-N 1 1 344.405 3.877 20 30 EHEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CCOC3(CCCCC3)C1)C2 ZINC000329594765 1026044258 /nfs/dbraw/zinc/04/42/58/1026044258.db2.gz VCULOFKEZVOSHF-HOTGVXAUSA-N 1 1 331.460 3.592 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C[C@@H](C)C#N ZINC000103469597 1026092808 /nfs/dbraw/zinc/09/28/08/1026092808.db2.gz SNZCZVCCCDLYGH-NSHDSACASA-N 1 1 328.243 3.804 20 30 EHEDMO C=CC[C@@H]1CC[N@H+]1Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000934469293 1026265446 /nfs/dbraw/zinc/26/54/46/1026265446.db2.gz AHSJFUWVLGYMJK-CQSZACIVSA-N 1 1 330.453 3.978 20 30 EHEDMO C=CC[C@@H]1CC[N@@H+]1Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000934469293 1026265450 /nfs/dbraw/zinc/26/54/50/1026265450.db2.gz AHSJFUWVLGYMJK-CQSZACIVSA-N 1 1 330.453 3.978 20 30 EHEDMO FC1(F)[C@H]2C[N@H+](Cc3ccoc3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897054005 1026280670 /nfs/dbraw/zinc/28/06/70/1026280670.db2.gz GOPJFRDRDKCCOT-DTORHVGOSA-N 1 1 349.221 3.882 20 30 EHEDMO FC1(F)[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897054005 1026280681 /nfs/dbraw/zinc/28/06/81/1026280681.db2.gz GOPJFRDRDKCCOT-DTORHVGOSA-N 1 1 349.221 3.882 20 30 EHEDMO CC1(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 ZINC000897055420 1026282263 /nfs/dbraw/zinc/28/22/63/1026282263.db2.gz OSGKTOIAIKAQBE-OCAPTIKFSA-N 1 1 337.254 3.889 20 30 EHEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3cc(C#N)ccc3OC)C2)c1 ZINC000452025005 1026445490 /nfs/dbraw/zinc/44/54/90/1026445490.db2.gz ZCKCTVAVRXWURA-UAPYVXQJSA-N 1 1 336.435 3.953 20 30 EHEDMO CCOc1ccc(N(CCC#N)C(=O)CC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000339276613 1026473898 /nfs/dbraw/zinc/47/38/98/1026473898.db2.gz UWKJSFMJVHMTBE-KRWDZBQOSA-N 1 1 343.471 3.596 20 30 EHEDMO COCC[N@@H+](CCCCC(C)(C)C#N)Cc1ccc2c(c1)OCO2 ZINC000277742261 1026747245 /nfs/dbraw/zinc/74/72/45/1026747245.db2.gz OZXPTOHMURWTIU-UHFFFAOYSA-N 1 1 332.444 3.584 20 30 EHEDMO CC[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC[C@@H]1c1ccccc1 ZINC000472237451 1026849295 /nfs/dbraw/zinc/84/92/95/1026849295.db2.gz DRDCGACUKMOQCF-LMNJBCLMSA-N 1 1 341.499 3.557 20 30 EHEDMO CCCC[C@@H](CC)C[N@H+]1CCC12CN(C(=O)c1ccc(C#N)cc1)C2 ZINC001271562776 1026881471 /nfs/dbraw/zinc/88/14/71/1026881471.db2.gz XOBIYMMFXRNRFX-QGZVFWFLSA-N 1 1 339.483 3.675 20 30 EHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCC[C@@H](CCOC)C2)c1C ZINC000342754830 1026964394 /nfs/dbraw/zinc/96/43/94/1026964394.db2.gz REMGMOFXIJHWOY-SFHVURJKSA-N 1 1 332.488 3.612 20 30 EHEDMO N#Cc1cccc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000048776601 1026975904 /nfs/dbraw/zinc/97/59/04/1026975904.db2.gz PYFLQVIPZLCZRU-UHFFFAOYSA-N 1 1 328.419 3.522 20 30 EHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC2(CCC2)C1 ZINC000123132861 1027000443 /nfs/dbraw/zinc/00/04/43/1027000443.db2.gz MOOQMILMSGQFIE-HNNXBMFYSA-N 1 1 343.496 3.753 20 30 EHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC2(CCC2)C1 ZINC000123132861 1027000448 /nfs/dbraw/zinc/00/04/48/1027000448.db2.gz MOOQMILMSGQFIE-HNNXBMFYSA-N 1 1 343.496 3.753 20 30 EHEDMO CC(C)(C#N)CCCC[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000277868520 1027519556 /nfs/dbraw/zinc/51/95/56/1027519556.db2.gz DJTWJBNGSJXGNH-UHFFFAOYSA-N 1 1 345.462 3.694 20 30 EHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000323958566 1027681322 /nfs/dbraw/zinc/68/13/22/1027681322.db2.gz ZCMWRHHYTAURRN-OAHLLOKOSA-N 1 1 326.362 3.990 20 30 EHEDMO C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000186624547 1027705823 /nfs/dbraw/zinc/70/58/23/1027705823.db2.gz LJIWSJWWMIOZAF-VBKZILBWSA-N 1 1 334.398 3.871 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026327920 1027748606 /nfs/dbraw/zinc/74/86/06/1027748606.db2.gz QMGTYSIAVCAMIO-CYBMUJFWSA-N 1 1 327.815 3.671 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026327920 1027748619 /nfs/dbraw/zinc/74/86/19/1027748619.db2.gz QMGTYSIAVCAMIO-CYBMUJFWSA-N 1 1 327.815 3.671 20 30 EHEDMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026327828 1027750332 /nfs/dbraw/zinc/75/03/32/1027750332.db2.gz KCAIJBHACKZJRD-AWEZNQCLSA-N 1 1 341.842 3.979 20 30 EHEDMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026327828 1027750352 /nfs/dbraw/zinc/75/03/52/1027750352.db2.gz KCAIJBHACKZJRD-AWEZNQCLSA-N 1 1 341.842 3.979 20 30 EHEDMO COc1ccc([C@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)cc1 ZINC000282014132 1027828407 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EHEDMO C[C@H](c1ccc(C#N)cc1)n1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1 ZINC000603228058 1033450534 /nfs/dbraw/zinc/45/05/34/1033450534.db2.gz OVDINAAZRJNECM-QVKFZJNVSA-N 1 1 343.434 3.536 20 30 EHEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000592777376 1033473100 /nfs/dbraw/zinc/47/31/00/1033473100.db2.gz LYWSBUNDGYOIDN-AWEZNQCLSA-N 1 1 340.427 3.694 20 30 EHEDMO C=CCN1CC[C@H]([NH2+][C@H](c2ccccc2)c2cccc(Cl)c2)C1=O ZINC000537507732 1033537654 /nfs/dbraw/zinc/53/76/54/1033537654.db2.gz FJDQQPBPALSLNI-RBUKOAKNSA-N 1 1 340.854 3.806 20 30 EHEDMO COc1cc(F)c(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000593637322 1033557566 /nfs/dbraw/zinc/55/75/66/1033557566.db2.gz HDUDRHMIANXIDR-CYBMUJFWSA-N 1 1 328.387 3.908 20 30 EHEDMO COc1cc(F)c(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000593637322 1033557579 /nfs/dbraw/zinc/55/75/79/1033557579.db2.gz HDUDRHMIANXIDR-CYBMUJFWSA-N 1 1 328.387 3.908 20 30 EHEDMO CC1(C)C[C@@H](NCc2cc(C#N)ccc2F)C[N@H+]1Cc1ccccc1 ZINC000761312104 1033628288 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EHEDMO CCc1cccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000063751254 1033670623 /nfs/dbraw/zinc/67/06/23/1033670623.db2.gz KELLEWRUMGKHOM-UHFFFAOYSA-N 1 1 335.451 3.970 20 30 EHEDMO CCc1cccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000063751254 1033670631 /nfs/dbraw/zinc/67/06/31/1033670631.db2.gz KELLEWRUMGKHOM-UHFFFAOYSA-N 1 1 335.451 3.970 20 30 EHEDMO COc1ccnc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1F ZINC000595082293 1033696327 /nfs/dbraw/zinc/69/63/27/1033696327.db2.gz YABTVCJBMGXGAL-INIZCTEOSA-N 1 1 325.387 3.658 20 30 EHEDMO C=CCCSCCNC(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000595255901 1033716613 /nfs/dbraw/zinc/71/66/13/1033716613.db2.gz JWECDFTZROMNTM-AWEZNQCLSA-N 1 1 347.311 3.679 20 30 EHEDMO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595323751 1033740417 /nfs/dbraw/zinc/74/04/17/1033740417.db2.gz OPENWRJYUGPWIR-GHTZIAJQSA-N 1 1 325.500 3.687 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595323751 1033740429 /nfs/dbraw/zinc/74/04/29/1033740429.db2.gz OPENWRJYUGPWIR-GHTZIAJQSA-N 1 1 325.500 3.687 20 30 EHEDMO C[C@H](NC(=O)NCCCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000046750909 1033755840 /nfs/dbraw/zinc/75/58/40/1033755840.db2.gz QIBHUTXPFODZSJ-SJORKVTESA-N 1 1 342.487 3.573 20 30 EHEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000595522046 1033840952 /nfs/dbraw/zinc/84/09/52/1033840952.db2.gz IEAFSJTXCHNDJT-IBGZPJMESA-N 1 1 335.407 3.889 20 30 EHEDMO Cc1ccc(C[N@H+](C)Cc2cc(Br)cn2C)cc1C#N ZINC000599312309 1033857942 /nfs/dbraw/zinc/85/79/42/1033857942.db2.gz POEXPKBHVSRSOI-UHFFFAOYSA-N 1 1 332.245 3.600 20 30 EHEDMO N#Cc1sccc1N1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000595632351 1033908290 /nfs/dbraw/zinc/90/82/90/1033908290.db2.gz OBLPJCPAFPPYGD-UHFFFAOYSA-N 1 1 349.406 3.543 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H](CO)Cc1ccccc1 ZINC000595592358 1033912968 /nfs/dbraw/zinc/91/29/68/1033912968.db2.gz OHUUJRKTCBQIBH-KRWDZBQOSA-N 1 1 348.368 3.612 20 30 EHEDMO CC[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1)c1ccc(Cl)cc1 ZINC000595611309 1033921115 /nfs/dbraw/zinc/92/11/15/1033921115.db2.gz IZZVOWQMPKPHAI-RHSMWYFYSA-N 1 1 333.863 3.533 20 30 EHEDMO CC[C@@H](NC(=O)C[N@H+]1CCC[C@H](CC#N)C1)c1ccc(Cl)cc1 ZINC000595611309 1033921130 /nfs/dbraw/zinc/92/11/30/1033921130.db2.gz IZZVOWQMPKPHAI-RHSMWYFYSA-N 1 1 333.863 3.533 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595612006 1033925441 /nfs/dbraw/zinc/92/54/41/1033925441.db2.gz RFCKOLHJJFMJDY-OLZOCXBDSA-N 1 1 339.361 3.658 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595612006 1033925453 /nfs/dbraw/zinc/92/54/53/1033925453.db2.gz RFCKOLHJJFMJDY-OLZOCXBDSA-N 1 1 339.361 3.658 20 30 EHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1CCO ZINC000595690168 1033947621 /nfs/dbraw/zinc/94/76/21/1033947621.db2.gz WFNMAMCUYZMYGU-WBMJQRKESA-N 1 1 326.362 3.560 20 30 EHEDMO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)o1 ZINC000174478495 1033951099 /nfs/dbraw/zinc/95/10/99/1033951099.db2.gz ROVIOSZIOUIZFJ-RDTXWAMCSA-N 1 1 328.412 3.610 20 30 EHEDMO C=CC[N@H+](Cc1coc(-c2ccc(C(=O)OC)cc2)n1)C(C)(C)C ZINC000595765146 1033969806 /nfs/dbraw/zinc/96/98/06/1033969806.db2.gz HLWCANYYGRXTNN-UHFFFAOYSA-N 1 1 328.412 3.915 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595809838 1033988880 /nfs/dbraw/zinc/98/88/80/1033988880.db2.gz JSENRTPKMRIHCS-RDBSUJKOSA-N 1 1 343.496 3.557 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595809838 1033988901 /nfs/dbraw/zinc/98/89/01/1033988901.db2.gz JSENRTPKMRIHCS-RDBSUJKOSA-N 1 1 343.496 3.557 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000595841272 1034005530 /nfs/dbraw/zinc/00/55/30/1034005530.db2.gz JITGAJSYYNIYRX-KDURUIRLSA-N 1 1 337.467 3.733 20 30 EHEDMO Cc1cc(C#N)cc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000456001001 1034041078 /nfs/dbraw/zinc/04/10/78/1034041078.db2.gz LUBNEAYGBZVTKQ-INIZCTEOSA-N 1 1 328.460 3.643 20 30 EHEDMO Cc1cc(Br)ccc1[C@H]1CCC[N@H+]1CCOCCC#N ZINC000599638186 1034060671 /nfs/dbraw/zinc/06/06/71/1034060671.db2.gz ZDXSLLUBOOMVHH-MRXNPFEDSA-N 1 1 337.261 3.825 20 30 EHEDMO C=CC(C)(C)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000450295798 1034071563 /nfs/dbraw/zinc/07/15/63/1034071563.db2.gz BJPFPSKGCFIXJA-UHFFFAOYSA-N 1 1 326.484 3.713 20 30 EHEDMO CC[N@@H+](C)Cc1cccc(CNc2cc(C)c([N+](=O)[O-])c(C#N)c2)c1 ZINC000596087436 1034076859 /nfs/dbraw/zinc/07/68/59/1034076859.db2.gz FGDKASBSJZAZTG-UHFFFAOYSA-N 1 1 338.411 3.839 20 30 EHEDMO COCC[C@H]1CCCC[N@H+]1Cc1ccc(Br)c(C#N)c1 ZINC001232895508 1034098140 /nfs/dbraw/zinc/09/81/40/1034098140.db2.gz NRCWYKPDTICFJT-OAHLLOKOSA-N 1 1 337.261 3.712 20 30 EHEDMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599686349 1034112932 /nfs/dbraw/zinc/11/29/32/1034112932.db2.gz RAVAPWVAOWIHMX-KRWDZBQOSA-N 1 1 347.462 3.755 20 30 EHEDMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599686349 1034112941 /nfs/dbraw/zinc/11/29/41/1034112941.db2.gz RAVAPWVAOWIHMX-KRWDZBQOSA-N 1 1 347.462 3.755 20 30 EHEDMO Cc1ccc(C#N)nc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000596161024 1034113607 /nfs/dbraw/zinc/11/36/07/1034113607.db2.gz BRIZUHSUBYKJKI-QGZVFWFLSA-N 1 1 326.488 3.743 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450330282 1034116421 /nfs/dbraw/zinc/11/64/21/1034116421.db2.gz IJRUTBWHFDXIRV-JKSUJKDBSA-N 1 1 342.443 3.557 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC000596218882 1034124490 /nfs/dbraw/zinc/12/44/90/1034124490.db2.gz NFAOANLQJLERDN-SMDDNHRTSA-N 1 1 332.860 3.601 20 30 EHEDMO Cc1cc(F)ccc1C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000612121660 1034146317 /nfs/dbraw/zinc/14/63/17/1034146317.db2.gz KCPBHDBXUJRQDV-HXUWFJFHSA-N 1 1 341.405 3.656 20 30 EHEDMO C=CC[N@@H+](C/C=C/c1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596337765 1034180285 /nfs/dbraw/zinc/18/02/85/1034180285.db2.gz QSUQYIOPYVMCIO-VEGGFIAOSA-N 1 1 345.450 3.925 20 30 EHEDMO Cc1cc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc(C#N)c1[N+](=O)[O-] ZINC000596480971 1034255717 /nfs/dbraw/zinc/25/57/17/1034255717.db2.gz VURFUHGIPDVTSF-OAHLLOKOSA-N 1 1 328.416 3.594 20 30 EHEDMO CCC(C#N)(CC)C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000599929535 1034256788 /nfs/dbraw/zinc/25/67/88/1034256788.db2.gz QUTJXNKZFKWSLB-KRWDZBQOSA-N 1 1 339.439 3.557 20 30 EHEDMO CC(C)[N@@H+](CC(=O)N[C@H](C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000060208193 1034294087 /nfs/dbraw/zinc/29/40/87/1034294087.db2.gz RWIBTGCSEVDVPP-QGZVFWFLSA-N 1 1 335.451 3.646 20 30 EHEDMO C=CCC(CC=C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456349530 1034338820 /nfs/dbraw/zinc/33/88/20/1034338820.db2.gz VWHNAMQSRFDZTA-GOSISDBHSA-N 1 1 326.484 3.735 20 30 EHEDMO CC(C)CC[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C1CCCC1 ZINC000604500759 1034402750 /nfs/dbraw/zinc/40/27/50/1034402750.db2.gz TUJBKIPXYPOKJR-HXUWFJFHSA-N 1 1 344.499 3.783 20 30 EHEDMO COc1cc(C[N@H+](C)Cc2cc(C#N)cs2)ccc1OC(F)F ZINC000534331515 1034407190 /nfs/dbraw/zinc/40/71/90/1034407190.db2.gz YVIZZODACXLMGR-UHFFFAOYSA-N 1 1 338.379 3.862 20 30 EHEDMO COc1cc(C[N@@H+](C)Cc2cc(C#N)cs2)ccc1OC(F)F ZINC000534331515 1034407199 /nfs/dbraw/zinc/40/71/99/1034407199.db2.gz YVIZZODACXLMGR-UHFFFAOYSA-N 1 1 338.379 3.862 20 30 EHEDMO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1COc2ccccc2O1 ZINC000596978058 1034477622 /nfs/dbraw/zinc/47/76/22/1034477622.db2.gz SICNOSUFMHFBRX-SFHVURJKSA-N 1 1 334.419 3.514 20 30 EHEDMO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596980991 1034478837 /nfs/dbraw/zinc/47/88/37/1034478837.db2.gz YWCCMJGLFOVOJN-UHFFFAOYSA-N 1 1 347.462 3.875 20 30 EHEDMO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596980991 1034478847 /nfs/dbraw/zinc/47/88/47/1034478847.db2.gz YWCCMJGLFOVOJN-UHFFFAOYSA-N 1 1 347.462 3.875 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cccc(F)c2C#N)cc1 ZINC000188469754 1034506452 /nfs/dbraw/zinc/50/64/52/1034506452.db2.gz BMYZRXUSMRMUAE-ZDUSSCGKSA-N 1 1 348.381 3.683 20 30 EHEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H](O)c1ccccc1C(F)(F)F ZINC000060467917 1034573698 /nfs/dbraw/zinc/57/36/98/1034573698.db2.gz IQYXFLWXWZTASE-KRWDZBQOSA-N 1 1 334.341 3.742 20 30 EHEDMO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597174353 1034581478 /nfs/dbraw/zinc/58/14/78/1034581478.db2.gz PGKKOZXXLLTRIS-OAHLLOKOSA-N 1 1 328.847 3.960 20 30 EHEDMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597174567 1034581703 /nfs/dbraw/zinc/58/17/03/1034581703.db2.gz RBELFDXAIJFLRL-IBGZPJMESA-N 1 1 336.483 3.982 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCSC3)C2)c(OC(F)F)c1 ZINC000451961977 1034586311 /nfs/dbraw/zinc/58/63/11/1034586311.db2.gz DZBHABRCNHPHNG-KRWDZBQOSA-N 1 1 338.423 3.879 20 30 EHEDMO C=CC[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000597186488 1034589991 /nfs/dbraw/zinc/58/99/91/1034589991.db2.gz GSMILBFKXQUZEZ-OAHLLOKOSA-N 1 1 340.427 3.783 20 30 EHEDMO C#CCCCCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000179757741 1034596942 /nfs/dbraw/zinc/59/69/42/1034596942.db2.gz SJIVZJFJMVQGTN-GOSISDBHSA-N 1 1 326.484 3.728 20 30 EHEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)cc1OC ZINC000628261281 1034727712 /nfs/dbraw/zinc/72/77/12/1034727712.db2.gz PBVPTZNCQZLFIC-ZFWWWQNUSA-N 1 1 339.863 3.913 20 30 EHEDMO Cc1cc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cc(OC(F)(F)F)c1 ZINC001143464482 1034918905 /nfs/dbraw/zinc/91/89/05/1034918905.db2.gz PUMQVJPBABCTLN-CQSZACIVSA-N 1 1 343.370 3.668 20 30 EHEDMO Cc1cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cc(OC(F)(F)F)c1 ZINC001143464482 1034918911 /nfs/dbraw/zinc/91/89/11/1034918911.db2.gz PUMQVJPBABCTLN-CQSZACIVSA-N 1 1 343.370 3.668 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc(F)cc1F ZINC000065959802 1035030147 /nfs/dbraw/zinc/03/01/47/1035030147.db2.gz OKVGFMROCXINNY-UHFFFAOYSA-N 1 1 330.378 3.634 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccc(F)cc1F ZINC000065959802 1035030151 /nfs/dbraw/zinc/03/01/51/1035030151.db2.gz OKVGFMROCXINNY-UHFFFAOYSA-N 1 1 330.378 3.634 20 30 EHEDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000280277601 1035037753 /nfs/dbraw/zinc/03/77/53/1035037753.db2.gz DHODHSJMQPWEJH-INIZCTEOSA-N 1 1 337.261 3.712 20 30 EHEDMO CC(C)(C#N)C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000612587988 1035081783 /nfs/dbraw/zinc/08/17/83/1035081783.db2.gz KFJOHHOITYIRLD-UHFFFAOYSA-N 1 1 333.176 3.690 20 30 EHEDMO C=CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000413842423 1035104989 /nfs/dbraw/zinc/10/49/89/1035104989.db2.gz YBAAJBMCRDWGQA-MISYRCLQSA-N 1 1 343.515 3.546 20 30 EHEDMO C[N@@H+](CCOc1cccc(C#N)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463442839 1035511222 /nfs/dbraw/zinc/51/12/22/1035511222.db2.gz NGNJMYZRLRXMNX-CVEARBPZSA-N 1 1 326.362 3.990 20 30 EHEDMO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463455415 1035524419 /nfs/dbraw/zinc/52/44/19/1035524419.db2.gz XMXAJXRIBYVSQJ-CABCVRRESA-N 1 1 339.361 3.550 20 30 EHEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463455415 1035524432 /nfs/dbraw/zinc/52/44/32/1035524432.db2.gz XMXAJXRIBYVSQJ-CABCVRRESA-N 1 1 339.361 3.550 20 30 EHEDMO C=CC[C@H](C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2)c1ccccc1 ZINC000186050040 1035571291 /nfs/dbraw/zinc/57/12/91/1035571291.db2.gz VXJRIDXLFZZETQ-HNNXBMFYSA-N 1 1 341.480 3.820 20 30 EHEDMO C=CC[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2)c1ccccc1 ZINC000186050040 1035571306 /nfs/dbraw/zinc/57/13/06/1035571306.db2.gz VXJRIDXLFZZETQ-HNNXBMFYSA-N 1 1 341.480 3.820 20 30 EHEDMO C[C@@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)c1cn(-c2ccccc2)nn1 ZINC000178050243 1035606316 /nfs/dbraw/zinc/60/63/16/1035606316.db2.gz YQYUQKVIDWOZPK-HZPDHXFCSA-N 1 1 347.422 3.581 20 30 EHEDMO COc1cc(OC)cc(Oc2ccc(C[NH2+]CC3(C#N)CC3)cc2)c1 ZINC000571739089 1035635572 /nfs/dbraw/zinc/63/55/72/1035635572.db2.gz AXQXJMSIUQFSJS-UHFFFAOYSA-N 1 1 338.407 3.889 20 30 EHEDMO C=CCN1CC[C@H](Nc2ccccc2C[N@H+](C)C2CCCCC2)C1=O ZINC000540809964 1035703461 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C=CCn1c(C2CCC2)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC000508839972 1035755085 /nfs/dbraw/zinc/75/50/85/1035755085.db2.gz JABPRLYNOCPXGM-UHFFFAOYSA-N 1 1 345.535 3.680 20 30 EHEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)nc1 ZINC000428773787 1035760108 /nfs/dbraw/zinc/76/01/08/1035760108.db2.gz RYYINFDXPUKQSN-INIZCTEOSA-N 1 1 347.340 3.625 20 30 EHEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)nc1 ZINC000428773787 1035760131 /nfs/dbraw/zinc/76/01/31/1035760131.db2.gz RYYINFDXPUKQSN-INIZCTEOSA-N 1 1 347.340 3.625 20 30 EHEDMO CC(C)(C)c1ccc(C#N)c(NCC[N@@H+]2CCc3sccc3C2)n1 ZINC000613415945 1035799785 /nfs/dbraw/zinc/79/97/85/1035799785.db2.gz OYVUFUWGGMWYPU-UHFFFAOYSA-N 1 1 340.496 3.782 20 30 EHEDMO CC(C)(C)c1ccc(C#N)c(NCC[N@H+]2CCc3sccc3C2)n1 ZINC000613415945 1035799803 /nfs/dbraw/zinc/79/98/03/1035799803.db2.gz OYVUFUWGGMWYPU-UHFFFAOYSA-N 1 1 340.496 3.782 20 30 EHEDMO OC[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cccc(F)c1 ZINC000541024187 1035911441 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1038671212 /nfs/dbraw/zinc/67/12/12/1038671212.db2.gz KVFJCTYBTVNDQM-UHFFFAOYSA-N 1 1 342.446 3.819 20 30 EHEDMO COCCOCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(C)c1 ZINC000488182975 1038950515 /nfs/dbraw/zinc/95/05/15/1038950515.db2.gz XHWPBSQKCCIDMQ-UHFFFAOYSA-N 1 1 338.451 3.532 20 30 EHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1F ZINC000512432211 1039105640 /nfs/dbraw/zinc/10/56/40/1039105640.db2.gz DROPOAKNNNOMBS-KRWDZBQOSA-N 1 1 340.373 3.931 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1F ZINC000512432211 1039105648 /nfs/dbraw/zinc/10/56/48/1039105648.db2.gz DROPOAKNNNOMBS-KRWDZBQOSA-N 1 1 340.373 3.931 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000544117060 1039236207 /nfs/dbraw/zinc/23/62/07/1039236207.db2.gz IAKVAHLLWRILCX-OLZOCXBDSA-N 1 1 345.512 3.803 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000544117060 1039236223 /nfs/dbraw/zinc/23/62/23/1039236223.db2.gz IAKVAHLLWRILCX-OLZOCXBDSA-N 1 1 345.512 3.803 20 30 EHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000552512974 1039331759 /nfs/dbraw/zinc/33/17/59/1039331759.db2.gz BQOXGYBNEGHJBC-YOEHRIQHSA-N 1 1 337.398 3.514 20 30 EHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000552512974 1039331778 /nfs/dbraw/zinc/33/17/78/1039331778.db2.gz BQOXGYBNEGHJBC-YOEHRIQHSA-N 1 1 337.398 3.514 20 30 EHEDMO Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@]4(CC[N@H+](C)C4)C3)c2c1 ZINC000488767121 1039387836 /nfs/dbraw/zinc/38/78/36/1039387836.db2.gz JZAUAVAANVCRLE-IBGZPJMESA-N 1 1 340.858 3.600 20 30 EHEDMO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000488780941 1039401007 /nfs/dbraw/zinc/40/10/07/1039401007.db2.gz XIQBYODGCPRWSJ-WMZOPIPTSA-N 1 1 343.858 3.503 20 30 EHEDMO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000488780941 1039401011 /nfs/dbraw/zinc/40/10/11/1039401011.db2.gz XIQBYODGCPRWSJ-WMZOPIPTSA-N 1 1 343.858 3.503 20 30 EHEDMO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000488780938 1039401175 /nfs/dbraw/zinc/40/11/75/1039401175.db2.gz XIQBYODGCPRWSJ-AEFFLSMTSA-N 1 1 343.858 3.503 20 30 EHEDMO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000488780938 1039401177 /nfs/dbraw/zinc/40/11/77/1039401177.db2.gz XIQBYODGCPRWSJ-AEFFLSMTSA-N 1 1 343.858 3.503 20 30 EHEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCO[C@H](C4CC4)C3)c2)c1 ZINC000485737925 1039489026 /nfs/dbraw/zinc/48/90/26/1039489026.db2.gz ZSYJGQWFCPESDO-QFIPXVFZSA-N 1 1 348.446 3.748 20 30 EHEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCO[C@H](C4CC4)C3)c2)c1 ZINC000485737925 1039489030 /nfs/dbraw/zinc/48/90/30/1039489030.db2.gz ZSYJGQWFCPESDO-QFIPXVFZSA-N 1 1 348.446 3.748 20 30 EHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C(C)C)C2CC2)c1C#N ZINC000026942578 1039512820 /nfs/dbraw/zinc/51/28/20/1039512820.db2.gz UHYIMUFBGXHYQJ-UHFFFAOYSA-N 1 1 342.487 3.903 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000310353535 1039798582 /nfs/dbraw/zinc/79/85/82/1039798582.db2.gz HSRIGYJUZDPKNW-UXHICEINSA-N 1 1 325.500 3.770 20 30 EHEDMO CC(C)(C#N)CCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000310353535 1039798599 /nfs/dbraw/zinc/79/85/99/1039798599.db2.gz HSRIGYJUZDPKNW-UXHICEINSA-N 1 1 325.500 3.770 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1C ZINC000042133440 1039871757 /nfs/dbraw/zinc/87/17/57/1039871757.db2.gz MLNQOOXVAPYOSS-UHFFFAOYSA-N 1 1 327.453 3.779 20 30 EHEDMO CC[C@H](C)C[N@@H+](CC)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000489361929 1039901600 /nfs/dbraw/zinc/90/16/00/1039901600.db2.gz TZFWBBMCIOTFBP-QWHCGFSZSA-N 1 1 333.501 3.803 20 30 EHEDMO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CC1(C)C ZINC000489496987 1040026039 /nfs/dbraw/zinc/02/60/39/1040026039.db2.gz GHBWGBTWDKMIQK-OAHLLOKOSA-N 1 1 331.485 3.557 20 30 EHEDMO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CC1(C)C ZINC000489496987 1040026055 /nfs/dbraw/zinc/02/60/55/1040026055.db2.gz GHBWGBTWDKMIQK-OAHLLOKOSA-N 1 1 331.485 3.557 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894086629 1040054583 /nfs/dbraw/zinc/05/45/83/1040054583.db2.gz YHUFYAGKIDRUJX-APWZRJJASA-N 1 1 332.407 3.540 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894086629 1040054596 /nfs/dbraw/zinc/05/45/96/1040054596.db2.gz YHUFYAGKIDRUJX-APWZRJJASA-N 1 1 332.407 3.540 20 30 EHEDMO C[C@H](NCCC[N@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1F ZINC000512621604 1040286840 /nfs/dbraw/zinc/28/68/40/1040286840.db2.gz ZUVHUIJKSWQHEN-INIZCTEOSA-N 1 1 337.442 3.796 20 30 EHEDMO C[C@H]([NH2+]CCCN1CCc2ccccc2C1)c1ccc(C#N)cc1F ZINC000512621604 1040286853 /nfs/dbraw/zinc/28/68/53/1040286853.db2.gz ZUVHUIJKSWQHEN-INIZCTEOSA-N 1 1 337.442 3.796 20 30 EHEDMO C=C(C)CN(CC)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000555213911 1040301749 /nfs/dbraw/zinc/30/17/49/1040301749.db2.gz FDOKAMUHXHJUAQ-LJQANCHMSA-N 1 1 343.515 3.895 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000614160026 1040304922 /nfs/dbraw/zinc/30/49/22/1040304922.db2.gz JVRWHYMREJGNDH-UHFFFAOYSA-N 1 1 347.462 3.751 20 30 EHEDMO N#Cc1ccccc1OCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490050216 1040324471 /nfs/dbraw/zinc/32/44/71/1040324471.db2.gz YCHRVAWHIWSSEY-UHFFFAOYSA-N 1 1 337.379 3.510 20 30 EHEDMO COc1ccc(C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C2CC2)cc1 ZINC000433011999 1040424567 /nfs/dbraw/zinc/42/45/67/1040424567.db2.gz QNILNILEPJLDAJ-UHFFFAOYSA-N 1 1 349.434 3.560 20 30 EHEDMO Cn1nc(CCC[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)cc1-c1ccc(F)cc1 ZINC000555334342 1040424768 /nfs/dbraw/zinc/42/47/68/1040424768.db2.gz TXMVXRQEPIETPB-DNVCBOLYSA-N 1 1 340.446 3.783 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C)C3(CCC3)C2)c(C#N)c1C ZINC000408092002 1040505952 /nfs/dbraw/zinc/50/59/52/1040505952.db2.gz WRESRCSIKHHGHX-TZMCWYRMSA-N 1 1 329.444 3.607 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C)C3(CCC3)C2)c(C#N)c1C ZINC000408092002 1040505965 /nfs/dbraw/zinc/50/59/65/1040505965.db2.gz WRESRCSIKHHGHX-TZMCWYRMSA-N 1 1 329.444 3.607 20 30 EHEDMO CCc1ccc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)cc1 ZINC000433076084 1040653876 /nfs/dbraw/zinc/65/38/76/1040653876.db2.gz MLTVEDMMPXDERI-UZLBHIALSA-N 1 1 347.462 3.937 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000500220287 1040753416 /nfs/dbraw/zinc/75/34/16/1040753416.db2.gz WAFJOLJNYOFUQX-UYAOXDASSA-N 1 1 326.484 3.530 20 30 EHEDMO CC[C@@H]1COCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000509784993 1040804722 /nfs/dbraw/zinc/80/47/22/1040804722.db2.gz CEGOANOEAUOPQE-HXUWFJFHSA-N 1 1 336.435 3.748 20 30 EHEDMO CC[C@@H]1COCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000509784993 1040804747 /nfs/dbraw/zinc/80/47/47/1040804747.db2.gz CEGOANOEAUOPQE-HXUWFJFHSA-N 1 1 336.435 3.748 20 30 EHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C#N)c(OC)c3)C2)cc1F ZINC000600213433 1040830796 /nfs/dbraw/zinc/83/07/96/1040830796.db2.gz FINLCPRWIKXMKO-QGZVFWFLSA-N 1 1 340.398 3.704 20 30 EHEDMO CC(C)[N@H+]1CC[C@@H](CNc2cc(Br)c(C#N)cc2F)C1 ZINC000312707136 1040898864 /nfs/dbraw/zinc/89/88/64/1040898864.db2.gz FGAGQGDCPUWBEP-NSHDSACASA-N 1 1 340.240 3.602 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000123778347 1040939653 /nfs/dbraw/zinc/93/96/53/1040939653.db2.gz WOQFRXZIJWLTFE-OAHLLOKOSA-N 1 1 343.496 3.773 20 30 EHEDMO Cc1ccc(C#N)c(NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000500289954 1040950272 /nfs/dbraw/zinc/95/02/72/1040950272.db2.gz CIKLRNZXAXNWSN-PKOBYXMFSA-N 1 1 334.467 3.974 20 30 EHEDMO COCC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCCSC1 ZINC000433192180 1041031413 /nfs/dbraw/zinc/03/14/13/1041031413.db2.gz YDBDQLJKZYBOAC-QGZVFWFLSA-N 1 1 332.513 3.832 20 30 EHEDMO C=CCc1cc(C[N@@H+](C)Cc2ccc(Cl)nc2)c(O)c(OC)c1 ZINC000163896408 1041091810 /nfs/dbraw/zinc/09/18/10/1041091810.db2.gz YIBOARDGXZSLKS-UHFFFAOYSA-N 1 1 332.831 3.810 20 30 EHEDMO C=CC[C@@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000487806567 1041110049 /nfs/dbraw/zinc/11/00/49/1041110049.db2.gz TXTQEBNCBXKYKB-OAQYLSRUSA-N 1 1 336.479 3.985 20 30 EHEDMO C[C@H](c1ccc(F)cc1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055172679 1041139702 /nfs/dbraw/zinc/13/97/02/1041139702.db2.gz LONXHTAWMJHLIX-QGZVFWFLSA-N 1 1 337.442 3.966 20 30 EHEDMO C[C@H](c1ccc(F)cc1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055172679 1041139707 /nfs/dbraw/zinc/13/97/07/1041139707.db2.gz LONXHTAWMJHLIX-QGZVFWFLSA-N 1 1 337.442 3.966 20 30 EHEDMO C[C@H](c1ccc(F)cc1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055172679 1041139716 /nfs/dbraw/zinc/13/97/16/1041139716.db2.gz LONXHTAWMJHLIX-QGZVFWFLSA-N 1 1 337.442 3.966 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433267846 1041180581 /nfs/dbraw/zinc/18/05/81/1041180581.db2.gz AJDHMJCSQMMIFR-GFCCVEGCSA-N 1 1 345.805 3.810 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433267846 1041180591 /nfs/dbraw/zinc/18/05/91/1041180591.db2.gz AJDHMJCSQMMIFR-GFCCVEGCSA-N 1 1 345.805 3.810 20 30 EHEDMO C[C@H](C[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000066854503 1041241935 /nfs/dbraw/zinc/24/19/35/1041241935.db2.gz IVDFFCQRXIEAOW-GOSISDBHSA-N 1 1 335.451 3.669 20 30 EHEDMO Cc1cccc(C[N@@H+](C)CCC(=O)Nc2sccc2C#N)c1C ZINC000428751198 1041351221 /nfs/dbraw/zinc/35/12/21/1041351221.db2.gz RLYRMPCYHQNGLE-UHFFFAOYSA-N 1 1 327.453 3.697 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000660450508 1041426073 /nfs/dbraw/zinc/42/60/73/1041426073.db2.gz SGJLGANYRYJSFH-AFYVEPGGSA-N 1 1 339.483 3.715 20 30 EHEDMO N#Cc1ccc(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000124576862 1041722242 /nfs/dbraw/zinc/72/22/42/1041722242.db2.gz ZDWSRZQXZMMLEQ-QGZVFWFLSA-N 1 1 340.810 3.643 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(OCc2ccccn2)cc1)[C@H](C)COC ZINC000661241693 1042023391 /nfs/dbraw/zinc/02/33/91/1042023391.db2.gz AJUYEMUODNXCAZ-QGZVFWFLSA-N 1 1 326.440 3.684 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CCF)C1 ZINC000661699166 1042264732 /nfs/dbraw/zinc/26/47/32/1042264732.db2.gz WNVGENCPWICRFR-OAHLLOKOSA-N 1 1 336.476 3.975 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000661699166 1042264737 /nfs/dbraw/zinc/26/47/37/1042264737.db2.gz WNVGENCPWICRFR-OAHLLOKOSA-N 1 1 336.476 3.975 20 30 EHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cs1 ZINC000893500491 1042297313 /nfs/dbraw/zinc/29/73/13/1042297313.db2.gz CYKASSUPOAMZEK-GFCCVEGCSA-N 1 1 340.374 3.672 20 30 EHEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cs1 ZINC000893500491 1042297315 /nfs/dbraw/zinc/29/73/15/1042297315.db2.gz CYKASSUPOAMZEK-GFCCVEGCSA-N 1 1 340.374 3.672 20 30 EHEDMO CCCC[N@@H+]1CCCC[C@H]1CNCc1ccc(N(C)CCC#N)cc1 ZINC000236755255 1042364246 /nfs/dbraw/zinc/36/42/46/1042364246.db2.gz BMRXDMZXJFWSGE-NRFANRHFSA-N 1 1 342.531 3.781 20 30 EHEDMO CCCC[N@H+]1CCCC[C@H]1CNCc1ccc(N(C)CCC#N)cc1 ZINC000236755255 1042364251 /nfs/dbraw/zinc/36/42/51/1042364251.db2.gz BMRXDMZXJFWSGE-NRFANRHFSA-N 1 1 342.531 3.781 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(COc2cc(C)cc(C)c2)no1 ZINC000662087650 1042505113 /nfs/dbraw/zinc/50/51/13/1042505113.db2.gz GZAABUKAFYAMRY-CALCHBBNSA-N 1 1 339.439 3.948 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(COc2cc(C)cc(C)c2)no1 ZINC000662087650 1042505116 /nfs/dbraw/zinc/50/51/16/1042505116.db2.gz GZAABUKAFYAMRY-CALCHBBNSA-N 1 1 339.439 3.948 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CC1(C#N)CCCCC1 ZINC001126262462 1042787947 /nfs/dbraw/zinc/78/79/47/1042787947.db2.gz LEGATCAOOYCPNQ-GOSISDBHSA-N 1 1 339.483 3.583 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CC1(C#N)CCCCC1 ZINC001126262462 1042787954 /nfs/dbraw/zinc/78/79/54/1042787954.db2.gz LEGATCAOOYCPNQ-GOSISDBHSA-N 1 1 339.483 3.583 20 30 EHEDMO C=C(C)C[NH+]1CCC(Nc2nccc3cc(OC)c(OC)cc32)CC1 ZINC000663568569 1043004386 /nfs/dbraw/zinc/00/43/86/1043004386.db2.gz XWLBJILTPHOZIP-UHFFFAOYSA-N 1 1 341.455 3.704 20 30 EHEDMO Cc1oc(NC(=O)C[N@H+](C)C(C)(C)c2ccccc2)c(C#N)c1C ZINC000585754699 1043025439 /nfs/dbraw/zinc/02/54/39/1043025439.db2.gz VAECAJCLKWDSOX-UHFFFAOYSA-N 1 1 325.412 3.574 20 30 EHEDMO CC[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279383141 1044017483 /nfs/dbraw/zinc/01/74/83/1044017483.db2.gz KMDUROBCEBFEGD-KRWDZBQOSA-N 1 1 337.471 3.871 20 30 EHEDMO C=CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000620786305 1125727120 /nfs/dbraw/zinc/72/71/20/1125727120.db2.gz YRRHDWIQBOVLMX-NHCUHLMSSA-N 1 1 334.463 3.737 20 30 EHEDMO C=CCOc1c(Cl)cc(C[NH2+]Cc2ncc(C)s2)cc1OC ZINC000623432314 1126954941 /nfs/dbraw/zinc/95/49/41/1126954941.db2.gz MTPUDYPWGMWKSI-UHFFFAOYSA-N 1 1 338.860 3.968 20 30 EHEDMO C#CC[N@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)C1CC1 ZINC000763951377 1126959113 /nfs/dbraw/zinc/95/91/13/1126959113.db2.gz WKMNXJXPCTUBFG-UHFFFAOYSA-N 1 1 334.419 3.905 20 30 EHEDMO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1OC ZINC000623540672 1126980922 /nfs/dbraw/zinc/98/09/22/1126980922.db2.gz BRODIOCINABIDQ-IUODEOHRSA-N 1 1 347.846 3.906 20 30 EHEDMO C#CC[N@H+](C[C@@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1)C1CC1 ZINC000763960418 1126987525 /nfs/dbraw/zinc/98/75/25/1126987525.db2.gz NWQZRDWPBZPGBW-DHIUTWEWSA-N 1 1 349.474 3.560 20 30 EHEDMO C=CCC[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC000623785760 1127162620 /nfs/dbraw/zinc/16/26/20/1127162620.db2.gz HRVBTYRHKZUBRL-PKOBYXMFSA-N 1 1 329.488 3.725 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1/N=C\c1cc(Cl)ccc1O ZINC000764887806 1127546365 /nfs/dbraw/zinc/54/63/65/1127546365.db2.gz HDEITKIRJFKJIU-ULUUYHDOSA-N 1 1 328.843 3.985 20 30 EHEDMO CCOc1ccc(/C=N\[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(O)c1 ZINC000764889584 1127546408 /nfs/dbraw/zinc/54/64/08/1127546408.db2.gz UHYIFZQRQMZEDL-JIFRWDCGSA-N 1 1 338.451 3.730 20 30 EHEDMO C[C@H]1C[C@@H](C(=O)Nc2sc3c(c2C#N)CCCCCC3)CC[N@H+]1C ZINC000888304691 1127627107 /nfs/dbraw/zinc/62/71/07/1127627107.db2.gz IBJMGIUTHGMVHJ-KBPBESRZSA-N 1 1 345.512 3.948 20 30 EHEDMO Cc1[nH+]cn(CC(=O)Nc2ccccc2S[C@H](C)CC#N)c1C ZINC000171993954 1127645445 /nfs/dbraw/zinc/64/54/45/1127645445.db2.gz QDVMZLURFQMKQW-GFCCVEGCSA-N 1 1 328.441 3.533 20 30 EHEDMO COc1cc(C[N@@H+](C)[C@@H]2CCCc3nc(C)sc32)ccc1C#N ZINC000282173264 1128028306 /nfs/dbraw/zinc/02/83/06/1128028306.db2.gz FCQGXHDUEYNTPC-MRXNPFEDSA-N 1 1 327.453 3.841 20 30 EHEDMO Cc1cc(C#N)ccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186246332 1128357556 /nfs/dbraw/zinc/35/75/56/1128357556.db2.gz ZCVOXSXDYDYUCZ-OAQYLSRUSA-N 1 1 333.479 3.821 20 30 EHEDMO Cc1cc(C#N)ccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186246332 1128357560 /nfs/dbraw/zinc/35/75/60/1128357560.db2.gz ZCVOXSXDYDYUCZ-OAQYLSRUSA-N 1 1 333.479 3.821 20 30 EHEDMO CC[N@@H+](C[C@H](O)COc1cccc(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340450 1128473258 /nfs/dbraw/zinc/47/32/58/1128473258.db2.gz DWWBLFMOZYYZIT-PXNSSMCTSA-N 1 1 338.451 3.690 20 30 EHEDMO COc1ccc([C@@H]2C[C@@H]([N@H+]3CCc4cc(C#N)ccc4C3)CCO2)cc1 ZINC001168638811 1128550579 /nfs/dbraw/zinc/55/05/79/1128550579.db2.gz XXBWWSMWSHJZRX-UNMCSNQZSA-N 1 1 348.446 3.845 20 30 EHEDMO CC[N@@H+](CC(=O)NCCC1=CCCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000107817331 1128561477 /nfs/dbraw/zinc/56/14/77/1128561477.db2.gz ASPSAYFQSOBWAZ-KRWDZBQOSA-N 1 1 339.483 3.948 20 30 EHEDMO C[C@H]1C[N@H+](Cc2cccc(CNc3cccc(F)c3C#N)c2)CCO1 ZINC000301142424 1128575404 /nfs/dbraw/zinc/57/54/04/1128575404.db2.gz JCHUSLWJQWECCH-HNNXBMFYSA-N 1 1 339.414 3.530 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3cccc(F)c3C#N)c2)CCO1 ZINC000301142424 1128575408 /nfs/dbraw/zinc/57/54/08/1128575408.db2.gz JCHUSLWJQWECCH-HNNXBMFYSA-N 1 1 339.414 3.530 20 30 EHEDMO N#Cc1cc(F)c(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(F)c1 ZINC000301162455 1128576463 /nfs/dbraw/zinc/57/64/63/1128576463.db2.gz BVJAQSKMNYWWKU-MRXNPFEDSA-N 1 1 341.405 3.813 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(Cl)c(C#N)n1 ZINC000301601375 1128597895 /nfs/dbraw/zinc/59/78/95/1128597895.db2.gz VLDIBKAAZRYFQU-PBHICJAKSA-N 1 1 340.858 3.929 20 30 EHEDMO N#Cc1ccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000357506986 1128604112 /nfs/dbraw/zinc/60/41/12/1128604112.db2.gz DTNCQQXWASGTCG-SFHVURJKSA-N 1 1 336.395 3.543 20 30 EHEDMO Cc1ccc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nc1C#N ZINC000302683706 1128641351 /nfs/dbraw/zinc/64/13/51/1128641351.db2.gz XPTDGOOVVUOGAL-QGZVFWFLSA-N 1 1 326.488 3.743 20 30 EHEDMO COc1ccc([C@H]2C[C@H]([N@@H+](C)Cc3ccc(C#N)cc3)CCO2)cc1 ZINC001168651467 1128657469 /nfs/dbraw/zinc/65/74/69/1128657469.db2.gz FERWMKRUZZCDIZ-TZIWHRDSSA-N 1 1 336.435 3.919 20 30 EHEDMO N#Cc1c(F)cccc1N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000303107076 1128665278 /nfs/dbraw/zinc/66/52/78/1128665278.db2.gz JOGAKADIJNREDY-UHFFFAOYSA-N 1 1 337.442 3.842 20 30 EHEDMO N#Cc1cc(F)c(NCCC[N@H+]2CCc3ccccc3C2)c(F)c1 ZINC000303024264 1128662322 /nfs/dbraw/zinc/66/23/22/1128662322.db2.gz NUKXHCSWKSDRTK-UHFFFAOYSA-N 1 1 327.378 3.697 20 30 EHEDMO C[N@H+](Cc1ccccc1)CC(C)(C)NCc1ccc(C#N)c(F)c1 ZINC000404083032 1128676146 /nfs/dbraw/zinc/67/61/46/1128676146.db2.gz PZYPVBPXWLICRY-UHFFFAOYSA-N 1 1 325.431 3.698 20 30 EHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCc1ccc(C#N)c(F)c1 ZINC000404083032 1128676148 /nfs/dbraw/zinc/67/61/48/1128676148.db2.gz PZYPVBPXWLICRY-UHFFFAOYSA-N 1 1 325.431 3.698 20 30 EHEDMO CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000072858162 1128739916 /nfs/dbraw/zinc/73/99/16/1128739916.db2.gz UKZCAWFHVVVSGR-LJQANCHMSA-N 1 1 333.479 3.999 20 30 EHEDMO CC[N@H+](C)C[C@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000072858162 1128739918 /nfs/dbraw/zinc/73/99/18/1128739918.db2.gz UKZCAWFHVVVSGR-LJQANCHMSA-N 1 1 333.479 3.999 20 30 EHEDMO CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000072858162 1128739921 /nfs/dbraw/zinc/73/99/21/1128739921.db2.gz UKZCAWFHVVVSGR-LJQANCHMSA-N 1 1 333.479 3.999 20 30 EHEDMO CC[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccncc1 ZINC000921776256 1128751552 /nfs/dbraw/zinc/75/15/52/1128751552.db2.gz QUWJTPKUFLPLLG-INIZCTEOSA-N 1 1 330.229 3.957 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)NCc2cccc(C#N)c2)cc1)C(C)C ZINC000153868896 1128787419 /nfs/dbraw/zinc/78/74/19/1128787419.db2.gz ZMJMURLXOHYMAE-UHFFFAOYSA-N 1 1 335.451 3.719 20 30 EHEDMO COCCCOc1cc(C)ccc1C[NH2+]Cc1csc(C#N)c1 ZINC000921830245 1128795375 /nfs/dbraw/zinc/79/53/75/1128795375.db2.gz NYEMCHDPURWUMW-UHFFFAOYSA-N 1 1 330.453 3.633 20 30 EHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000110989285 1128822972 /nfs/dbraw/zinc/82/29/72/1128822972.db2.gz ILSPPCYIYPDVOB-FQEVSTJZSA-N 1 1 347.462 3.984 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1O ZINC000129148766 1120141961 /nfs/dbraw/zinc/14/19/61/1120141961.db2.gz PKIBIYKFSOTOTD-APWZRJJASA-N 1 1 331.456 3.520 20 30 EHEDMO C[C@@H](c1cccc(NCc2csc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000921901870 1128896662 /nfs/dbraw/zinc/89/66/62/1128896662.db2.gz TVPCWHDNIURTDZ-AWEZNQCLSA-N 1 1 327.453 3.625 20 30 EHEDMO C=CCC[C@@H](NC(=O)N1CC[N@H+](C)C(C)(C)CC1)c1ccccc1 ZINC001670779523 1120237137 /nfs/dbraw/zinc/23/71/37/1120237137.db2.gz DAWGQLGFTMYHEG-GOSISDBHSA-N 1 1 329.488 3.820 20 30 EHEDMO Cc1ccc(C#N)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000064070843 1128912623 /nfs/dbraw/zinc/91/26/23/1128912623.db2.gz QVWIKCGNSPBDDF-IBGZPJMESA-N 1 1 333.435 3.717 20 30 EHEDMO C[C@@H](NCc1cc(C#N)cs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309763647 1128914544 /nfs/dbraw/zinc/91/45/44/1128914544.db2.gz FKZRAMJGUSZVBB-CRAIPNDOSA-N 1 1 325.481 3.620 20 30 EHEDMO C[C@@H](NCc1cc(C#N)cs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309763647 1128914548 /nfs/dbraw/zinc/91/45/48/1128914548.db2.gz FKZRAMJGUSZVBB-CRAIPNDOSA-N 1 1 325.481 3.620 20 30 EHEDMO CC[C@@H](CO)[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000542517597 1120884262 /nfs/dbraw/zinc/88/42/62/1120884262.db2.gz GCZMYYBFAQPGQM-FQEVSTJZSA-N 1 1 338.451 3.600 20 30 EHEDMO CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC1CCC1 ZINC000193210224 1120983324 /nfs/dbraw/zinc/98/33/24/1120983324.db2.gz PNTMYFYTLNCTMK-UHFFFAOYSA-N 1 1 345.512 3.948 20 30 EHEDMO CCCC[C@H](CC)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)C#N)C2 ZINC001272610764 1121287046 /nfs/dbraw/zinc/28/70/46/1121287046.db2.gz LTGBLSFSBWVADR-BJLQDIEVSA-N 1 1 333.520 3.677 20 30 EHEDMO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)cn1 ZINC000542572775 1121506885 /nfs/dbraw/zinc/50/68/85/1121506885.db2.gz CLHFNNAJBMTMJR-GFCCVEGCSA-N 1 1 334.370 3.788 20 30 EHEDMO Cc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC000496005421 1121603418 /nfs/dbraw/zinc/60/34/18/1121603418.db2.gz OWUFBTRNJPAGSF-CRAIPNDOSA-N 1 1 343.471 3.602 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](C)c1ccccc1F ZINC000077267151 1129005047 /nfs/dbraw/zinc/00/50/47/1129005047.db2.gz XRFHSEHLNCMJDG-CQSZACIVSA-N 1 1 328.387 3.778 20 30 EHEDMO CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H](C)c1cccc(OC)c1 ZINC000194225143 1121811495 /nfs/dbraw/zinc/81/14/95/1121811495.db2.gz SQGFZIDMDSPVEP-OAHLLOKOSA-N 1 1 337.423 3.588 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H](C)c1cccc(OC)c1 ZINC000194225143 1121811508 /nfs/dbraw/zinc/81/15/08/1121811508.db2.gz SQGFZIDMDSPVEP-OAHLLOKOSA-N 1 1 337.423 3.588 20 30 EHEDMO C(=[NH+]Nc1cccc2ncccc21)c1ccc(N2CCOCC2)cc1 ZINC000915964777 1122010284 /nfs/dbraw/zinc/01/02/84/1122010284.db2.gz NRZPGQDTBPVJFV-UHFFFAOYSA-N 1 1 332.407 3.517 20 30 EHEDMO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000496395840 1122072542 /nfs/dbraw/zinc/07/25/42/1122072542.db2.gz BBPUFPQGBOUTIB-DNVCBOLYSA-N 1 1 337.508 3.799 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000496563266 1122120051 /nfs/dbraw/zinc/12/00/51/1122120051.db2.gz GXZNZBIQFGLTCP-KXBFYZLASA-N 1 1 335.407 3.576 20 30 EHEDMO CC[N@@H+](CC1(C#N)CCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496625190 1122133648 /nfs/dbraw/zinc/13/36/48/1122133648.db2.gz QCJILZINSHKVNM-MRXNPFEDSA-N 1 1 335.492 3.792 20 30 EHEDMO C=CCN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001128287511 1129033756 /nfs/dbraw/zinc/03/37/56/1129033756.db2.gz JZWYNFMORYBZKI-FCHUYYIVSA-N 1 1 348.490 3.855 20 30 EHEDMO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](CC2(C#N)CC2)CC1 ZINC000496675307 1122153008 /nfs/dbraw/zinc/15/30/08/1122153008.db2.gz BGPIJNZIRBSBJC-MRXNPFEDSA-N 1 1 347.503 3.648 20 30 EHEDMO N#Cc1cc2c(nc1NC[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCCC2 ZINC000311905777 1129051953 /nfs/dbraw/zinc/05/19/53/1129051953.db2.gz GPABVAOQKXUPBL-GOSISDBHSA-N 1 1 346.478 3.766 20 30 EHEDMO N#CCc1cccc(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000067203090 1122504679 /nfs/dbraw/zinc/50/46/79/1122504679.db2.gz GUUYUTXIGDFUMX-HXUWFJFHSA-N 1 1 339.483 3.527 20 30 EHEDMO C#CC[N@@H+](Cc1cncc(Br)c1)[C@H]1CCc2ccccc21 ZINC000917117958 1122512712 /nfs/dbraw/zinc/51/27/12/1122512712.db2.gz XAJZQWUNVOUUOY-SFHVURJKSA-N 1 1 341.252 3.967 20 30 EHEDMO C#CC[N@H+](Cc1cncc(Br)c1)[C@H]1CCc2ccccc21 ZINC000917117958 1122512716 /nfs/dbraw/zinc/51/27/16/1122512716.db2.gz XAJZQWUNVOUUOY-SFHVURJKSA-N 1 1 341.252 3.967 20 30 EHEDMO C=CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000130792818 1122999861 /nfs/dbraw/zinc/99/98/61/1122999861.db2.gz SKDLIGWEINTZOS-HXUWFJFHSA-N 1 1 343.515 3.752 20 30 EHEDMO Cc1ccc(C)c(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000194965279 1123095918 /nfs/dbraw/zinc/09/59/18/1123095918.db2.gz WFKTVWQBQDJVQW-UHFFFAOYSA-N 1 1 333.435 3.778 20 30 EHEDMO Cc1ccc(C)c(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000194965279 1123095921 /nfs/dbraw/zinc/09/59/21/1123095921.db2.gz WFKTVWQBQDJVQW-UHFFFAOYSA-N 1 1 333.435 3.778 20 30 EHEDMO C[C@H]1CCC[C@H](C)[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000072687069 1123142323 /nfs/dbraw/zinc/14/23/23/1123142323.db2.gz ZNDKTDOOWPKKRR-GJZGRUSLSA-N 1 1 331.485 3.751 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2csc3ccccc23)c1 ZINC000920086989 1123288236 /nfs/dbraw/zinc/28/82/36/1123288236.db2.gz YTMTVYSXPNFAOR-UHFFFAOYSA-N 1 1 334.444 3.953 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2csc3ccccc23)c1 ZINC000920086989 1123288239 /nfs/dbraw/zinc/28/82/39/1123288239.db2.gz YTMTVYSXPNFAOR-UHFFFAOYSA-N 1 1 334.444 3.953 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)cc1 ZINC000499238955 1123291640 /nfs/dbraw/zinc/29/16/40/1123291640.db2.gz YEHJNGQJTHVKPE-UHFFFAOYSA-N 1 1 344.499 3.720 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)cc1 ZINC000499238955 1123291644 /nfs/dbraw/zinc/29/16/44/1123291644.db2.gz YEHJNGQJTHVKPE-UHFFFAOYSA-N 1 1 344.499 3.720 20 30 EHEDMO Cc1nc(CO[NH+]=C(N)C2CCOCC2)oc1-c1ccc(Cl)cc1 ZINC000132234473 1129128377 /nfs/dbraw/zinc/12/83/77/1129128377.db2.gz TZNICUMTPFKCGM-UHFFFAOYSA-N 1 1 349.818 3.519 20 30 EHEDMO CN(C(=O)C[N@H+]1CCCC2(CCCCC2)C1)C1(C#N)CCCCC1 ZINC000609541284 1123607575 /nfs/dbraw/zinc/60/75/75/1123607575.db2.gz ASVWYEVYSLGDRE-UHFFFAOYSA-N 1 1 331.504 3.718 20 30 EHEDMO CCc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)o1 ZINC000610079123 1123727606 /nfs/dbraw/zinc/72/76/06/1123727606.db2.gz IDRRUSGFMSHOBM-XLIONFOSSA-N 1 1 345.487 3.814 20 30 EHEDMO CCc1ccc([C@H]2CCCCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)o1 ZINC000610079123 1123727607 /nfs/dbraw/zinc/72/76/07/1123727607.db2.gz IDRRUSGFMSHOBM-XLIONFOSSA-N 1 1 345.487 3.814 20 30 EHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000610134095 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CCCCCCCCCC[N@@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001201874822 1136072221 /nfs/dbraw/zinc/07/22/21/1136072221.db2.gz HXYPJXWAXOPOGX-QGZVFWFLSA-N 1 1 336.524 3.892 20 30 EHEDMO N#Cc1csc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)n1 ZINC000811466970 1136090971 /nfs/dbraw/zinc/09/09/71/1136090971.db2.gz BUZMCEBKCDOIGB-MSOLQXFVSA-N 1 1 341.480 3.883 20 30 EHEDMO N#Cc1csc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)n1 ZINC000811466970 1136090974 /nfs/dbraw/zinc/09/09/74/1136090974.db2.gz BUZMCEBKCDOIGB-MSOLQXFVSA-N 1 1 341.480 3.883 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1cc(OC)c2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000811517099 1136097237 /nfs/dbraw/zinc/09/72/37/1136097237.db2.gz HYMFSCXVOCGMLS-MRXNPFEDSA-N 1 1 343.810 3.584 20 30 EHEDMO Cc1ccccc1NC(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001202195038 1136108998 /nfs/dbraw/zinc/10/89/98/1136108998.db2.gz NAQNKGJGYXPOAC-UHFFFAOYSA-N 1 1 348.450 3.653 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1O ZINC000811792648 1136141681 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C=CC[N@H+](CCC(OC)OC)Cc1cc(Br)ccc1F ZINC000851740912 1136403588 /nfs/dbraw/zinc/40/35/88/1136403588.db2.gz BEWQKHAKMGBGFX-UHFFFAOYSA-N 1 1 346.240 3.585 20 30 EHEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(=O)oc3cc(NC(C)=O)ccc23)C1 ZINC000852410499 1136454069 /nfs/dbraw/zinc/45/40/69/1136454069.db2.gz MWJAYDIPWZNGAS-HNNXBMFYSA-N 1 1 340.423 3.540 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](CCF)C2)cc1C ZINC000852533369 1136463760 /nfs/dbraw/zinc/46/37/60/1136463760.db2.gz TVFFOZMRXFYXIK-SFHVURJKSA-N 1 1 345.462 3.622 20 30 EHEDMO CCC(CC)CCC[N@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000852671121 1136475739 /nfs/dbraw/zinc/47/57/39/1136475739.db2.gz GZCZDXNBOORSEN-UHFFFAOYSA-N 1 1 340.471 3.568 20 30 EHEDMO CCC(CC)CCC[N@@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000852671121 1136475741 /nfs/dbraw/zinc/47/57/41/1136475741.db2.gz GZCZDXNBOORSEN-UHFFFAOYSA-N 1 1 340.471 3.568 20 30 EHEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000173238703 1136476669 /nfs/dbraw/zinc/47/66/69/1136476669.db2.gz ONVNAFBBDMBVNS-QGZVFWFLSA-N 1 1 343.496 3.895 20 30 EHEDMO C[C@H](CNCc1cccc(OCCCC#N)c1)[N@@H+]1CCCC[C@@H]1C ZINC000338955092 1136513396 /nfs/dbraw/zinc/51/33/96/1136513396.db2.gz DGABHNYUZJPNDM-ZWKOTPCHSA-N 1 1 329.488 3.722 20 30 EHEDMO C[C@H](CNCc1cccc(OCCCC#N)c1)[N@H+]1CCCC[C@@H]1C ZINC000338955092 1136513397 /nfs/dbraw/zinc/51/33/97/1136513397.db2.gz DGABHNYUZJPNDM-ZWKOTPCHSA-N 1 1 329.488 3.722 20 30 EHEDMO c1ccc(C[N@@H+]2CCC(N=Nc3nnc(-c4ccccc4)s3)C2)cc1 ZINC000814948812 1136530527 /nfs/dbraw/zinc/53/05/27/1136530527.db2.gz GJSKJZXEWSNEEI-UHFFFAOYSA-N 1 1 349.463 3.879 20 30 EHEDMO c1ccc(C[N@H+]2CCC(N=Nc3nnc(-c4ccccc4)s3)C2)cc1 ZINC000814948812 1136530530 /nfs/dbraw/zinc/53/05/30/1136530530.db2.gz GJSKJZXEWSNEEI-UHFFFAOYSA-N 1 1 349.463 3.879 20 30 EHEDMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000217666044 1136637781 /nfs/dbraw/zinc/63/77/81/1136637781.db2.gz ZQBMOJFKKNVWST-AWEZNQCLSA-N 1 1 345.512 3.971 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)c1cccc(C#N)c1 ZINC000816453131 1136722343 /nfs/dbraw/zinc/72/23/43/1136722343.db2.gz KMZMYGVUNXPXND-OXJNMPFZSA-N 1 1 334.419 3.626 20 30 EHEDMO C=CCC(F)(F)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000856169359 1136761051 /nfs/dbraw/zinc/76/10/51/1136761051.db2.gz LWAVQPCNQFHHLN-QGZVFWFLSA-N 1 1 348.437 3.616 20 30 EHEDMO C[C@@H]1CC(N=Nc2ncc(Cl)cn2)CC[N@H+]1Cc1ccccc1 ZINC000857222689 1136855339 /nfs/dbraw/zinc/85/53/39/1136855339.db2.gz BNMWNDNOPHNJLI-CYBMUJFWSA-N 1 1 329.835 3.582 20 30 EHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@]2(C(=O)OCC)C[C@@H]2C=C)cc1 ZINC001170928319 1136945713 /nfs/dbraw/zinc/94/57/13/1136945713.db2.gz OZASAJBICAQNHC-FBBABVLZSA-N 1 1 340.467 3.929 20 30 EHEDMO C[C@H](N[NH+]=Cc1ccc(N(C)C)cc1C(F)(F)F)c1ccncc1 ZINC000819816034 1136962095 /nfs/dbraw/zinc/96/20/95/1136962095.db2.gz FSBKMRHSSRUVJR-LBPRGKRZSA-N 1 1 336.361 3.851 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCc3scnc32)c1 ZINC000858378081 1136962817 /nfs/dbraw/zinc/96/28/17/1136962817.db2.gz FEMALKVJKXBBEG-GDBMZVCRSA-N 1 1 327.453 3.991 20 30 EHEDMO C[C@@H]1C[C@H](C[N@H+]2CCC[C@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000824147187 1137126130 /nfs/dbraw/zinc/12/61/30/1137126130.db2.gz IDYBOBZVCPAHIO-GPMSIDNRSA-N 1 1 335.492 3.648 20 30 EHEDMO Cc1ccn2c(C[N@H+]3CCC[C@H](Oc4ccccc4C#N)C3)cnc2c1 ZINC001136891305 1137141449 /nfs/dbraw/zinc/14/14/49/1137141449.db2.gz OLOYRUMLHDAQMN-IBGZPJMESA-N 1 1 346.434 3.558 20 30 EHEDMO COC(=O)C1(C#N)CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000824866835 1137155255 /nfs/dbraw/zinc/15/52/55/1137155255.db2.gz IMJBIKPWEIEPPT-UHFFFAOYSA-N 1 1 340.448 3.694 20 30 EHEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(C)c(C)cc1OC(C)C ZINC001171074877 1137168089 /nfs/dbraw/zinc/16/80/89/1137168089.db2.gz KPMPBFZPONOPAI-KRWDZBQOSA-N 1 1 348.487 3.729 20 30 EHEDMO C/C=C/C[C@H]1CCC[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000863339574 1137181700 /nfs/dbraw/zinc/18/17/00/1137181700.db2.gz DKTLKAFQYKPTFM-IDOMTICXSA-N 1 1 335.455 3.761 20 30 EHEDMO C#C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)c1ccc(Cl)cc1F ZINC000843884685 1137186550 /nfs/dbraw/zinc/18/65/50/1137186550.db2.gz UOTHWPMKVLILTH-BLLLJJGKSA-N 1 1 347.821 3.680 20 30 EHEDMO Cc1c[nH+]ccc1O[C@H]1CCN(Cc2c(Cl)cccc2C#N)C1 ZINC001143732310 1137194877 /nfs/dbraw/zinc/19/48/77/1137194877.db2.gz OXRVMUGVADSVLD-HNNXBMFYSA-N 1 1 327.815 3.568 20 30 EHEDMO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000844424101 1137219715 /nfs/dbraw/zinc/21/97/15/1137219715.db2.gz CHENBBDEXUQFMF-KRWDZBQOSA-N 1 1 344.455 3.675 20 30 EHEDMO N#CC1(Cn2cc(C[NH2+][C@H]3CCCc4ccccc43)nn2)CCCCC1 ZINC000864635147 1137237864 /nfs/dbraw/zinc/23/78/64/1137237864.db2.gz LMEHOZUJCMHTDS-FQEVSTJZSA-N 1 1 349.482 3.919 20 30 EHEDMO CC(C)CN1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(C#N)cn3)CC[C@@H]21 ZINC001144160550 1137246689 /nfs/dbraw/zinc/24/66/89/1137246689.db2.gz KWEZDBJDNTWMGO-UNMCSNQZSA-N 1 1 346.478 3.787 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(Oc3cccc(Cl)c3)CC2)nc1 ZINC001144160923 1137246710 /nfs/dbraw/zinc/24/67/10/1137246710.db2.gz YSUCCASWHQCEFO-UHFFFAOYSA-N 1 1 327.815 3.650 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3Cl)CC2)nc1 ZINC001144160577 1137246721 /nfs/dbraw/zinc/24/67/21/1137246721.db2.gz MLKYCVSHXLHKBD-UHFFFAOYSA-N 1 1 345.805 3.789 20 30 EHEDMO N#Cc1ccc(-c2ccn(C[N@H+]3CCC[C@@]4(CC4(F)F)C3)n2)cc1 ZINC000844747337 1137249438 /nfs/dbraw/zinc/24/94/38/1137249438.db2.gz IRZKUSPICLSWMM-QGZVFWFLSA-N 1 1 328.366 3.500 20 30 EHEDMO N#Cc1ccc(-c2ccn(C[N@@H+]3CCC[C@@]4(CC4(F)F)C3)n2)cc1 ZINC000844747337 1137249439 /nfs/dbraw/zinc/24/94/39/1137249439.db2.gz IRZKUSPICLSWMM-QGZVFWFLSA-N 1 1 328.366 3.500 20 30 EHEDMO Cc1nc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)sc1C ZINC001144378278 1137279300 /nfs/dbraw/zinc/27/93/00/1137279300.db2.gz CKZQIDZLFBUZOM-MRXNPFEDSA-N 1 1 327.453 3.675 20 30 EHEDMO Cc1nc(C[N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)sc1C ZINC001144378278 1137279302 /nfs/dbraw/zinc/27/93/02/1137279302.db2.gz CKZQIDZLFBUZOM-MRXNPFEDSA-N 1 1 327.453 3.675 20 30 EHEDMO C=C(C)CN1CCC([NH2+]Cc2ccc(OC(F)F)cc2F)CC1 ZINC000865454470 1137285122 /nfs/dbraw/zinc/28/51/22/1137285122.db2.gz ZPRHSXQHTZPEGU-UHFFFAOYSA-N 1 1 328.378 3.557 20 30 EHEDMO COc1cc(SC)c(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cn1 ZINC001171185402 1137295523 /nfs/dbraw/zinc/29/55/23/1137295523.db2.gz JGIVEXSLVQXWCS-UHFFFAOYSA-N 1 1 339.420 3.708 20 30 EHEDMO CSc1cccc(F)c1C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865566258 1137295548 /nfs/dbraw/zinc/29/55/48/1137295548.db2.gz WWVRYTWNFROVIM-UHFFFAOYSA-N 1 1 329.444 3.775 20 30 EHEDMO C#Cc1ccc(C[N@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)cc1 ZINC001144579021 1137310780 /nfs/dbraw/zinc/31/07/80/1137310780.db2.gz WATJUZQPMAYNLX-UHFFFAOYSA-N 1 1 330.475 3.766 20 30 EHEDMO C#Cc1ccc(CN2CCCC3(C[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001144579021 1137310781 /nfs/dbraw/zinc/31/07/81/1137310781.db2.gz WATJUZQPMAYNLX-UHFFFAOYSA-N 1 1 330.475 3.766 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001144568567 1137311260 /nfs/dbraw/zinc/31/12/60/1137311260.db2.gz YLHPNUSBCZBSJA-GOSISDBHSA-N 1 1 328.456 3.547 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001144568010 1137311439 /nfs/dbraw/zinc/31/14/39/1137311439.db2.gz HYKOJUBVLFIIMO-OAQYLSRUSA-N 1 1 340.467 3.643 20 30 EHEDMO C#Cc1ccc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001144576167 1137311900 /nfs/dbraw/zinc/31/19/00/1137311900.db2.gz DATSUXUPPSXQFU-QHCPKHFHSA-N 1 1 330.475 3.766 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001144576167 1137311901 /nfs/dbraw/zinc/31/19/01/1137311901.db2.gz DATSUXUPPSXQFU-QHCPKHFHSA-N 1 1 330.475 3.766 20 30 EHEDMO N#CCCCOc1cccc(C[NH2+]Cc2noc3cc(F)ccc23)c1 ZINC000865836422 1137315514 /nfs/dbraw/zinc/31/55/14/1137315514.db2.gz FPFFKCTWROZOQH-UHFFFAOYSA-N 1 1 339.370 3.939 20 30 EHEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cccc3cc[nH]c31)CCO2 ZINC001144713273 1137333555 /nfs/dbraw/zinc/33/35/55/1137333555.db2.gz NUVLIQZTOFAHAI-PZJWPPBQSA-N 1 1 340.467 3.742 20 30 EHEDMO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000846117297 1137334116 /nfs/dbraw/zinc/33/41/16/1137334116.db2.gz BWVSJAURXGXDKS-GOSISDBHSA-N 1 1 345.487 3.589 20 30 EHEDMO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000846117297 1137334118 /nfs/dbraw/zinc/33/41/18/1137334118.db2.gz BWVSJAURXGXDKS-GOSISDBHSA-N 1 1 345.487 3.589 20 30 EHEDMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cc1[N+](=O)[O-] ZINC000866304012 1137343933 /nfs/dbraw/zinc/34/39/33/1137343933.db2.gz YTLYUDMUOGRNPB-QWHCGFSZSA-N 1 1 325.368 3.892 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001171230369 1137355784 /nfs/dbraw/zinc/35/57/84/1137355784.db2.gz VAHWUVLFDDJFKU-MOPGFXCFSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001171230369 1137355788 /nfs/dbraw/zinc/35/57/88/1137355788.db2.gz VAHWUVLFDDJFKU-MOPGFXCFSA-N 1 1 333.479 3.696 20 30 EHEDMO C=CCCCCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC001171259396 1137379220 /nfs/dbraw/zinc/37/92/20/1137379220.db2.gz RJZQFQIOTOSDSN-HXUWFJFHSA-N 1 1 326.484 3.782 20 30 EHEDMO C#C[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(OC)c(OC)c3)n2)C1 ZINC000847022131 1137383261 /nfs/dbraw/zinc/38/32/61/1137383261.db2.gz FQYFJNVCEQSLEA-AWEZNQCLSA-N 1 1 342.464 3.673 20 30 EHEDMO C#C[C@H]1CCC[N@H+](Cc2csc(-c3ccc(OC)c(OC)c3)n2)C1 ZINC000847022131 1137383263 /nfs/dbraw/zinc/38/32/63/1137383263.db2.gz FQYFJNVCEQSLEA-AWEZNQCLSA-N 1 1 342.464 3.673 20 30 EHEDMO C[C@@H](C#N)c1cccc(C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)c1 ZINC001148623321 1137429888 /nfs/dbraw/zinc/42/98/88/1137429888.db2.gz USAJITXBAKHOAD-JXFKEZNVSA-N 1 1 339.483 3.698 20 30 EHEDMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C(C)(C)CCC#N)cc2)C1 ZINC001148906394 1137437472 /nfs/dbraw/zinc/43/74/72/1137437472.db2.gz PDYRJRPNZKUYJG-LJQANCHMSA-N 1 1 341.499 3.823 20 30 EHEDMO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cc2ccccc2s1 ZINC000348188713 1137451986 /nfs/dbraw/zinc/45/19/86/1137451986.db2.gz UISUZFCJXXFPRZ-XIKOKIGWSA-N 1 1 335.432 3.650 20 30 EHEDMO C[N@H+]1CCCC[C@H]1c1ccc(NCCOc2ccc(C#N)cc2)nc1 ZINC001171485123 1137491119 /nfs/dbraw/zinc/49/11/19/1137491119.db2.gz BVWWDIWAQGKMPF-IBGZPJMESA-N 1 1 336.439 3.601 20 30 EHEDMO C=CCc1cc(C)c[nH+]c1NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC001171521568 1137496092 /nfs/dbraw/zinc/49/60/92/1137496092.db2.gz AKCWSCPZMDGJQG-IBGZPJMESA-N 1 1 349.478 3.969 20 30 EHEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H](C)CCc2ccc(C)cc2)C1 ZINC001171682426 1137503875 /nfs/dbraw/zinc/50/38/75/1137503875.db2.gz VFWPPFKERVJPDN-IEBWSBKVSA-N 1 1 330.472 3.693 20 30 EHEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001171847774 1137515712 /nfs/dbraw/zinc/51/57/12/1137515712.db2.gz SAVHEKNUJBXVFM-HUUCEWRRSA-N 1 1 336.426 3.772 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCC[C@@H](C#N)CC2)CC12CCC2 ZINC001171857747 1137516084 /nfs/dbraw/zinc/51/60/84/1137516084.db2.gz KCNYEFAEGKSOLD-IAGOWNOFSA-N 1 1 347.503 3.934 20 30 EHEDMO CCCc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc1 ZINC001171936690 1137521739 /nfs/dbraw/zinc/52/17/39/1137521739.db2.gz DOMBPSGIWOECSJ-UHFFFAOYSA-N 1 1 325.481 3.894 20 30 EHEDMO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)C2 ZINC001172111107 1137537424 /nfs/dbraw/zinc/53/74/24/1137537424.db2.gz RYFOZWIMOILLGM-PHZGNYQRSA-N 1 1 337.389 3.682 20 30 EHEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)C2 ZINC001172111107 1137537425 /nfs/dbraw/zinc/53/74/25/1137537425.db2.gz RYFOZWIMOILLGM-PHZGNYQRSA-N 1 1 337.389 3.682 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001172305421 1137545284 /nfs/dbraw/zinc/54/52/84/1137545284.db2.gz DJBCVQHYJCUBAI-KDOFPFPSSA-N 1 1 342.389 3.921 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001172313501 1137546697 /nfs/dbraw/zinc/54/66/97/1137546697.db2.gz YBHJYEPTEGKMMK-QGZVFWFLSA-N 1 1 337.442 3.841 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001172319110 1137546983 /nfs/dbraw/zinc/54/69/83/1137546983.db2.gz LIGWCQJARCMNFK-MOPGFXCFSA-N 1 1 333.479 3.868 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC001172319508 1137546992 /nfs/dbraw/zinc/54/69/92/1137546992.db2.gz NQYGXUIAPQFQLC-LEOXJPRUSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)N1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001172319508 1137546994 /nfs/dbraw/zinc/54/69/94/1137546994.db2.gz NQYGXUIAPQFQLC-LEOXJPRUSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)N1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001172319508 1137546995 /nfs/dbraw/zinc/54/69/95/1137546995.db2.gz NQYGXUIAPQFQLC-LEOXJPRUSA-N 1 1 345.490 3.696 20 30 EHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H]2[C@H]1CC(=O)N2c1cnn(C)c1 ZINC001172356173 1137554250 /nfs/dbraw/zinc/55/42/50/1137554250.db2.gz UUXPLBNAXCHVPR-QXAKKESOSA-N 1 1 346.519 3.739 20 30 EHEDMO CCCCCCC[C@H](CC)[N@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001172359310 1137554609 /nfs/dbraw/zinc/55/46/09/1137554609.db2.gz VLDFYCYLAZZQBF-IRXDYDNUSA-N 1 1 336.524 3.983 20 30 EHEDMO CCCCCCC[C@H](CC)[N@@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001172359310 1137554611 /nfs/dbraw/zinc/55/46/11/1137554611.db2.gz VLDFYCYLAZZQBF-IRXDYDNUSA-N 1 1 336.524 3.983 20 30 EHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000871784042 1137558093 /nfs/dbraw/zinc/55/80/93/1137558093.db2.gz PRHCSMTZAMFNPS-OAHLLOKOSA-N 1 1 332.835 3.869 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](c3nc(C)cs3)C2)c1O ZINC000872807275 1137584781 /nfs/dbraw/zinc/58/47/81/1137584781.db2.gz MBJDFKARWACJOM-OAHLLOKOSA-N 1 1 344.480 3.884 20 30 EHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2nc3cc(F)ccc3o2)c1 ZINC000873049411 1137588817 /nfs/dbraw/zinc/58/88/17/1137588817.db2.gz BJVTWOSWKCPBNN-HNNXBMFYSA-N 1 1 339.370 3.938 20 30 EHEDMO C=CCn1c2ccccc2n(C[N@H+](C)CC2CCOCC2)c1=S ZINC000124750297 1137608441 /nfs/dbraw/zinc/60/84/41/1137608441.db2.gz VWOUEEKTIXQHOD-UHFFFAOYSA-N 1 1 331.485 3.674 20 30 EHEDMO C=CCn1c2ccccc2n(C[N@@H+](C)CC2CCOCC2)c1=S ZINC000124750297 1137608442 /nfs/dbraw/zinc/60/84/42/1137608442.db2.gz VWOUEEKTIXQHOD-UHFFFAOYSA-N 1 1 331.485 3.674 20 30 EHEDMO C[N@H+]1CC[C@H](CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 ZINC000874006374 1137609068 /nfs/dbraw/zinc/60/90/68/1137609068.db2.gz LLQYJCRLGJBPLR-UZLBHIALSA-N 1 1 333.435 3.622 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)n1 ZINC000876804796 1137661891 /nfs/dbraw/zinc/66/18/91/1137661891.db2.gz UFOUVQSHBKUBCQ-LEWJYISDSA-N 1 1 335.451 3.822 20 30 EHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 ZINC000876978123 1137666914 /nfs/dbraw/zinc/66/69/14/1137666914.db2.gz GZKSMBRLPIRBRJ-SJORKVTESA-N 1 1 345.805 3.756 20 30 EHEDMO Cc1ccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c(OCC2CC2)c1 ZINC000877109907 1137670298 /nfs/dbraw/zinc/67/02/98/1137670298.db2.gz UHXCJZUIXGOASN-UHFFFAOYSA-N 1 1 341.842 3.994 20 30 EHEDMO CCCOc1ccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c(C)c1 ZINC000877468320 1137677284 /nfs/dbraw/zinc/67/72/84/1137677284.db2.gz FSKBVYNJXGQFMW-UHFFFAOYSA-N 1 1 329.831 3.994 20 30 EHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000877550559 1137680989 /nfs/dbraw/zinc/68/09/89/1137680989.db2.gz YLRBJHLONIOTPO-KRWDZBQOSA-N 1 1 341.842 3.600 20 30 EHEDMO CC(C)Cn1cc([C@H]2[N@@H+](C[C@@H](C)CCC#N)CC23CCOCC3)cn1 ZINC000877632603 1137683820 /nfs/dbraw/zinc/68/38/20/1137683820.db2.gz GUPWWWNMBXXBLK-PKOBYXMFSA-N 1 1 344.503 3.632 20 30 EHEDMO COc1ccc([C@H]2C[N@H+](Cc3ccc(C4(C#N)CC4)cc3)CCO2)cc1 ZINC000877756374 1137688381 /nfs/dbraw/zinc/68/83/81/1137688381.db2.gz UOQSACUYIPYAMS-OAQYLSRUSA-N 1 1 348.446 3.824 20 30 EHEDMO COc1ccc([C@H]2C[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)CCO2)cc1 ZINC000877756374 1137688382 /nfs/dbraw/zinc/68/83/82/1137688382.db2.gz UOQSACUYIPYAMS-OAQYLSRUSA-N 1 1 348.446 3.824 20 30 EHEDMO N#CCCCOc1cccc(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)c1 ZINC000877821636 1137691764 /nfs/dbraw/zinc/69/17/64/1137691764.db2.gz ZKQKTOXUIHTIPO-MRXNPFEDSA-N 1 1 342.361 3.522 20 30 EHEDMO N#CCCCOc1cccc(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)c1 ZINC000877821636 1137691765 /nfs/dbraw/zinc/69/17/65/1137691765.db2.gz ZKQKTOXUIHTIPO-MRXNPFEDSA-N 1 1 342.361 3.522 20 30 EHEDMO C=CCCC[C@H](C(=O)NCCCn1cc[nH+]c1C)c1ccccc1 ZINC000878319266 1137710798 /nfs/dbraw/zinc/71/07/98/1137710798.db2.gz NMKGXWHNZOSPPX-IBGZPJMESA-N 1 1 325.456 3.838 20 30 EHEDMO CC1(C)CCC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000127078438 1137712683 /nfs/dbraw/zinc/71/26/83/1137712683.db2.gz FISGQAYDSSWGJW-MRXNPFEDSA-N 1 1 348.450 3.736 20 30 EHEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000878388292 1137713855 /nfs/dbraw/zinc/71/38/55/1137713855.db2.gz LLTFMHCOCIDRLL-WBVHZDCISA-N 1 1 338.455 3.806 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1Cc2ccccc2O[C@H](C)C1)c1ccccc1 ZINC000878645459 1137723538 /nfs/dbraw/zinc/72/35/38/1137723538.db2.gz MBCWLXOODLEWJL-VGOFRKELSA-N 1 1 348.446 3.710 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1Cc2ccccc2O[C@H](C)C1)c1ccccc1 ZINC000878645459 1137723539 /nfs/dbraw/zinc/72/35/39/1137723539.db2.gz MBCWLXOODLEWJL-VGOFRKELSA-N 1 1 348.446 3.710 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@]2(CC2(F)F)C1)c1ccccc1 ZINC000878812165 1137728862 /nfs/dbraw/zinc/72/88/62/1137728862.db2.gz RFPSUEDOUZVQEZ-ZWKOTPCHSA-N 1 1 332.394 3.548 20 30 EHEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC)c1cccc(OC)c1OC ZINC000879466336 1137748536 /nfs/dbraw/zinc/74/85/36/1137748536.db2.gz PUCQUVJDAZKQQG-QGZVFWFLSA-N 1 1 340.423 3.825 20 30 EHEDMO NC(CCc1ccccc1)=[NH+]OCc1nnc(-c2ccccc2)s1 ZINC000127929914 1137755057 /nfs/dbraw/zinc/75/50/57/1137755057.db2.gz DTXDIWMMBWXWKG-UHFFFAOYSA-N 1 1 338.436 3.627 20 30 EHEDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000879845970 1137760749 /nfs/dbraw/zinc/76/07/49/1137760749.db2.gz NZAYQCNONUVNJI-QGZVFWFLSA-N 1 1 348.450 3.663 20 30 EHEDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3cccc(C#N)c3F)C2)[nH]n1 ZINC000879919698 1137762407 /nfs/dbraw/zinc/76/24/07/1137762407.db2.gz SLUUMAJMAZBWSS-HNNXBMFYSA-N 1 1 326.419 3.923 20 30 EHEDMO CC(C)c1cc([C@H]2CCC[N@H+](Cc3cccc(C#N)c3F)C2)n[nH]1 ZINC000879919698 1137762408 /nfs/dbraw/zinc/76/24/08/1137762408.db2.gz SLUUMAJMAZBWSS-HNNXBMFYSA-N 1 1 326.419 3.923 20 30 EHEDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3cccc(C#N)c3F)C2)n[nH]1 ZINC000879919698 1137762409 /nfs/dbraw/zinc/76/24/09/1137762409.db2.gz SLUUMAJMAZBWSS-HNNXBMFYSA-N 1 1 326.419 3.923 20 30 EHEDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)[nH]n1 ZINC000879918972 1137762415 /nfs/dbraw/zinc/76/24/15/1137762415.db2.gz KZFMOUXSWVARLI-HNNXBMFYSA-N 1 1 326.419 3.923 20 30 EHEDMO CC(C)c1cc([C@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)n[nH]1 ZINC000879918972 1137762416 /nfs/dbraw/zinc/76/24/16/1137762416.db2.gz KZFMOUXSWVARLI-HNNXBMFYSA-N 1 1 326.419 3.923 20 30 EHEDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)n[nH]1 ZINC000879918972 1137762417 /nfs/dbraw/zinc/76/24/17/1137762417.db2.gz KZFMOUXSWVARLI-HNNXBMFYSA-N 1 1 326.419 3.923 20 30 EHEDMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880275679 1137772912 /nfs/dbraw/zinc/77/29/12/1137772912.db2.gz UBODHGIGCCQCEF-SJLPKXTDSA-N 1 1 333.439 3.700 20 30 EHEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880275679 1137772913 /nfs/dbraw/zinc/77/29/13/1137772913.db2.gz UBODHGIGCCQCEF-SJLPKXTDSA-N 1 1 333.439 3.700 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@H](CF)C1 ZINC000880297712 1137773753 /nfs/dbraw/zinc/77/37/53/1137773753.db2.gz PHGGBZSTNMGFMM-CHWSQXEVSA-N 1 1 349.475 3.507 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@H](CF)C1 ZINC000880297712 1137773754 /nfs/dbraw/zinc/77/37/54/1137773754.db2.gz PHGGBZSTNMGFMM-CHWSQXEVSA-N 1 1 349.475 3.507 20 30 EHEDMO C=CCCC[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccccc1 ZINC000880389113 1137777627 /nfs/dbraw/zinc/77/76/27/1137777627.db2.gz RPMVAWDZSZFDLD-LJQANCHMSA-N 1 1 333.439 3.850 20 30 EHEDMO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(Cl)cc2C#N)cn1 ZINC000880518833 1137780518 /nfs/dbraw/zinc/78/05/18/1137780518.db2.gz YEXVSNMVZUUGOC-WUUXGELPSA-N 1 1 340.858 3.856 20 30 EHEDMO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(Cl)cc2C#N)cn1 ZINC000880518833 1137780519 /nfs/dbraw/zinc/78/05/19/1137780519.db2.gz YEXVSNMVZUUGOC-WUUXGELPSA-N 1 1 340.858 3.856 20 30 EHEDMO C=CCC(CC=C)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000882393712 1137826153 /nfs/dbraw/zinc/82/61/53/1137826153.db2.gz DUPXHDPVOOHWNI-HXUWFJFHSA-N 1 1 339.483 3.678 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@H]1CCC(C)C ZINC000130678353 1137840608 /nfs/dbraw/zinc/84/06/08/1137840608.db2.gz DGHMHSZVRIKBTR-IBGZPJMESA-N 1 1 337.471 3.983 20 30 EHEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000130764855 1137841894 /nfs/dbraw/zinc/84/18/94/1137841894.db2.gz NAKGLWDCDKDLQI-DNVCBOLYSA-N 1 1 337.471 3.983 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000131209817 1137848460 /nfs/dbraw/zinc/84/84/60/1137848460.db2.gz XHRWOWZSNIBTSS-GOSISDBHSA-N 1 1 337.471 3.841 20 30 EHEDMO CC1(C#N)CCC(Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000883347490 1137856548 /nfs/dbraw/zinc/85/65/48/1137856548.db2.gz SWNBPYAVSCFVAC-VEDCXYSMSA-N 1 1 338.499 3.855 20 30 EHEDMO C=CCCC[C@H](NC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)c1ccccc1 ZINC000883858456 1137875512 /nfs/dbraw/zinc/87/55/12/1137875512.db2.gz LKTJVIQIFPBMQY-UFYCRDLUSA-N 1 1 341.499 3.820 20 30 EHEDMO C=CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC001202577767 1137880734 /nfs/dbraw/zinc/88/07/34/1137880734.db2.gz IPWBKPXAKZBLNG-RTWAWAEBSA-N 1 1 349.478 3.530 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000118532581 1137933951 /nfs/dbraw/zinc/93/39/51/1137933951.db2.gz XOCDAOATWAYEEU-LPHOPBHVSA-N 1 1 349.482 3.817 20 30 EHEDMO C#Cc1cccc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000118798717 1137935302 /nfs/dbraw/zinc/93/53/02/1137935302.db2.gz KLCYEBZIJHUTQM-MJGOQNOKSA-N 1 1 339.483 3.786 20 30 EHEDMO Cc1ccc(C)n1C1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000332425427 1137943569 /nfs/dbraw/zinc/94/35/69/1137943569.db2.gz BRBUITOEGRCKCJ-LJQANCHMSA-N 1 1 336.439 3.890 20 30 EHEDMO CCOc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)CC2(C#N)CCC2)cc1 ZINC000885933071 1138026158 /nfs/dbraw/zinc/02/61/58/1138026158.db2.gz IHKOAUVTXQIYTR-PKOBYXMFSA-N 1 1 328.456 3.667 20 30 EHEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2C[C@@H](O)CC2(C#N)CCC2)c1 ZINC000886123396 1138049098 /nfs/dbraw/zinc/04/90/98/1138049098.db2.gz YDBOVUABJTYRES-AYBZRNKSSA-N 1 1 328.456 3.523 20 30 EHEDMO N#CC1(C[C@@H](O)C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)CCC1 ZINC000886236612 1138061780 /nfs/dbraw/zinc/06/17/80/1138061780.db2.gz LMZCXBYRNMTABV-CRAIPNDOSA-N 1 1 338.455 3.535 20 30 EHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)CCC1 ZINC000886236612 1138061782 /nfs/dbraw/zinc/06/17/82/1138061782.db2.gz LMZCXBYRNMTABV-CRAIPNDOSA-N 1 1 338.455 3.535 20 30 EHEDMO CC(C)C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000072492527 1138104612 /nfs/dbraw/zinc/10/46/12/1138104612.db2.gz NVNDUDXSWQEVCZ-OAHLLOKOSA-N 1 1 331.485 3.609 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000076396044 1138131179 /nfs/dbraw/zinc/13/11/79/1138131179.db2.gz RGQFRFQVPRVWPG-QAPCUYQASA-N 1 1 331.423 3.542 20 30 EHEDMO C=CCC1(O)CC[NH+]([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000886766368 1138135948 /nfs/dbraw/zinc/13/59/48/1138135948.db2.gz IOEBADQDVVUEDT-CYBMUJFWSA-N 1 1 347.846 3.854 20 30 EHEDMO C=CCC1(O)CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000886766990 1138136365 /nfs/dbraw/zinc/13/63/65/1138136365.db2.gz XBNRRSOTWNYZNB-UHFFFAOYSA-N 1 1 342.508 3.831 20 30 EHEDMO COc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1OCCCC#N ZINC000091974624 1138223381 /nfs/dbraw/zinc/22/33/81/1138223381.db2.gz BIJDBCMQYRTPGX-UHFFFAOYSA-N 1 1 340.423 3.715 20 30 EHEDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000093200789 1138234881 /nfs/dbraw/zinc/23/48/81/1138234881.db2.gz QWQTVBVAOQELJO-QGZVFWFLSA-N 1 1 342.874 3.744 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](C)CCc2ncc(C)s2)cc1OC ZINC000093807265 1138241182 /nfs/dbraw/zinc/24/11/82/1138241182.db2.gz YOPTXTZAWUGTMC-UHFFFAOYSA-N 1 1 332.469 3.699 20 30 EHEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccc(Cl)nc2)cc1OC ZINC000125740869 1138315286 /nfs/dbraw/zinc/31/52/86/1138315286.db2.gz JILAMCJSUXVGOL-UHFFFAOYSA-N 1 1 332.831 3.940 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccc(Cl)nc2)cc1OC ZINC000125740869 1138315287 /nfs/dbraw/zinc/31/52/87/1138315287.db2.gz JILAMCJSUXVGOL-UHFFFAOYSA-N 1 1 332.831 3.940 20 30 EHEDMO CC[N@H+](Cc1ccc(S(C)(=O)=O)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000336879029 1138419361 /nfs/dbraw/zinc/41/93/61/1138419361.db2.gz KVHMSMFIAKXCQM-HNNXBMFYSA-N 1 1 342.464 3.545 20 30 EHEDMO CC[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000336879029 1138419363 /nfs/dbraw/zinc/41/93/63/1138419363.db2.gz KVHMSMFIAKXCQM-HNNXBMFYSA-N 1 1 342.464 3.545 20 30 EHEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000264166020 1138432517 /nfs/dbraw/zinc/43/25/17/1138432517.db2.gz GYGQRYSFSCAGTH-QGZVFWFLSA-N 1 1 337.398 3.515 20 30 EHEDMO CCOc1ccc2c(c1)CC[N@H+](CCCC1(C#N)CCOCC1)C2 ZINC000337168914 1138484408 /nfs/dbraw/zinc/48/44/08/1138484408.db2.gz BWPVTKIKSQSYPW-UHFFFAOYSA-N 1 1 328.456 3.544 20 30 EHEDMO CC(C)[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000264452535 1138520666 /nfs/dbraw/zinc/52/06/66/1138520666.db2.gz IIZHLHBSZUCBFJ-CABCVRRESA-N 1 1 333.501 3.996 20 30 EHEDMO CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1c(F)cccc1F ZINC000337691010 1138644465 /nfs/dbraw/zinc/64/44/65/1138644465.db2.gz UNKZEPLYDVNNQW-UHFFFAOYSA-N 1 1 343.377 3.687 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1c(F)cccc1F ZINC000337691010 1138644468 /nfs/dbraw/zinc/64/44/68/1138644468.db2.gz UNKZEPLYDVNNQW-UHFFFAOYSA-N 1 1 343.377 3.687 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000338099182 1138750201 /nfs/dbraw/zinc/75/02/01/1138750201.db2.gz RCDIWAVANGPLBP-GOSISDBHSA-N 1 1 341.842 3.553 20 30 EHEDMO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(N(C)CCC#N)cc2)o1 ZINC000174475870 1139422393 /nfs/dbraw/zinc/42/23/93/1139422393.db2.gz JVMFDPBMDVEOFA-IBGZPJMESA-N 1 1 341.455 3.669 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000176001992 1139533647 /nfs/dbraw/zinc/53/36/47/1139533647.db2.gz GJPQISLBCRENSR-NVXWUHKLSA-N 1 1 331.460 3.588 20 30 EHEDMO C=CC[C@@H](C)NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000176862670 1139583321 /nfs/dbraw/zinc/58/33/21/1139583321.db2.gz RVVZCXZSCQYMLM-MRXNPFEDSA-N 1 1 341.455 3.675 20 30 EHEDMO C=CC[C@@H](C)NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000176862670 1139583326 /nfs/dbraw/zinc/58/33/26/1139583326.db2.gz RVVZCXZSCQYMLM-MRXNPFEDSA-N 1 1 341.455 3.675 20 30 EHEDMO C[N@@H+](Cc1ccccc1NC(=O)c1cc(C#N)c[nH]1)C1CCCCC1 ZINC000177515327 1139623664 /nfs/dbraw/zinc/62/36/64/1139623664.db2.gz RFXHGSHXIBNDSE-UHFFFAOYSA-N 1 1 336.439 3.903 20 30 EHEDMO C=CCCCC(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000178813529 1139719277 /nfs/dbraw/zinc/71/92/77/1139719277.db2.gz ONIIAVLDEUVCHK-SFHVURJKSA-N 1 1 338.455 3.625 20 30 EHEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180558594 1139844926 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EHEDMO C#CCC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000185879102 1140175232 /nfs/dbraw/zinc/17/52/32/1140175232.db2.gz CIDXOHOXHTUCMM-VQTJNVASSA-N 1 1 338.495 3.549 20 30 EHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc2c(c1)CCC(=O)N2C ZINC000186936407 1140229127 /nfs/dbraw/zinc/22/91/27/1140229127.db2.gz IMJPPNFFCKOCEB-UHFFFAOYSA-N 1 1 327.472 3.747 20 30 EHEDMO COc1cc2c(cc1F)C[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CC2 ZINC000777439971 1140278883 /nfs/dbraw/zinc/27/88/83/1140278883.db2.gz ATOCGGKJVWJREI-AWEZNQCLSA-N 1 1 340.398 3.683 20 30 EHEDMO COc1cc2c(cc1F)C[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CC2 ZINC000777439971 1140278885 /nfs/dbraw/zinc/27/88/85/1140278885.db2.gz ATOCGGKJVWJREI-AWEZNQCLSA-N 1 1 340.398 3.683 20 30 EHEDMO C[NH+](C)C[C@@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193054492 1140561675 /nfs/dbraw/zinc/56/16/75/1140561675.db2.gz YXHPLLONPOCYAL-FQEVSTJZSA-N 1 1 347.506 3.770 20 30 EHEDMO C[NH+](C)C[C@@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193054492 1140561678 /nfs/dbraw/zinc/56/16/78/1140561678.db2.gz YXHPLLONPOCYAL-FQEVSTJZSA-N 1 1 347.506 3.770 20 30 EHEDMO CC(C)[N@H+](CC(=O)Nc1ccccc1SCC#N)CC1CCC1 ZINC000193204130 1140567081 /nfs/dbraw/zinc/56/70/81/1140567081.db2.gz OFWAKLZXWGIRLW-UHFFFAOYSA-N 1 1 331.485 3.751 20 30 EHEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000266939593 1140741170 /nfs/dbraw/zinc/74/11/70/1140741170.db2.gz QTUYYDDSHJKTPT-JTQLQIEISA-N 1 1 332.753 3.641 20 30 EHEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000266939593 1140741174 /nfs/dbraw/zinc/74/11/74/1140741174.db2.gz QTUYYDDSHJKTPT-JTQLQIEISA-N 1 1 332.753 3.641 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000268022639 1140868723 /nfs/dbraw/zinc/86/87/23/1140868723.db2.gz JSGVHXCSGNZKTP-RHSMWYFYSA-N 1 1 337.398 3.514 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000268022639 1140868734 /nfs/dbraw/zinc/86/87/34/1140868734.db2.gz JSGVHXCSGNZKTP-RHSMWYFYSA-N 1 1 337.398 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/nfs/dbraw/zinc/38/77/31/1014387731.db2.gz OSSPREFTZLBQIH-UHFFFAOYSA-N 1 1 336.435 3.515 20 30 EHEDMO CCC[N@@H+](CC(=O)NCCC1CCCCC1)Cc1ccc(C#N)cc1 ZINC000510054028 1014525205 /nfs/dbraw/zinc/52/52/05/1014525205.db2.gz IHKQZCIGDWVAFH-UHFFFAOYSA-N 1 1 341.499 3.857 20 30 EHEDMO CCc1oc2ccccc2c1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430188405 1014681204 /nfs/dbraw/zinc/68/12/04/1014681204.db2.gz UFRXZWCORJDRJP-MRXNPFEDSA-N 1 1 347.418 3.915 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](CC3CC3)C2)cc1Cl ZINC000339670378 1015491412 /nfs/dbraw/zinc/49/14/12/1015491412.db2.gz BYELZQLTASSQEF-CQSZACIVSA-N 1 1 331.847 3.662 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)NCCC1=CCCCC1 ZINC000109356321 1015668545 /nfs/dbraw/zinc/66/85/45/1015668545.db2.gz PDBKQFKPWMYRMC-UHFFFAOYSA-N 1 1 326.484 3.724 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)NCCC1=CCCCC1 ZINC000109356321 1015668551 /nfs/dbraw/zinc/66/85/51/1015668551.db2.gz PDBKQFKPWMYRMC-UHFFFAOYSA-N 1 1 326.484 3.724 20 30 EHEDMO N#CCc1ccc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000343738411 1032123678 /nfs/dbraw/zinc/12/36/78/1032123678.db2.gz DZEJACGDKBFEBK-MRXNPFEDSA-N 1 1 348.372 3.805 20 30 EHEDMO COc1cccc(/C=N\C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1O ZINC000255026009 1015785004 /nfs/dbraw/zinc/78/50/04/1015785004.db2.gz KATGCBXBZCCMKK-DKNZLLBESA-N 1 1 344.480 3.793 20 30 EHEDMO C=C(Br)C[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134796310 1015806329 /nfs/dbraw/zinc/80/63/29/1015806329.db2.gz PBWZWYURTVOMEF-GJZGRUSLSA-N 1 1 328.225 3.622 20 30 EHEDMO C=C(Br)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134796310 1015806338 /nfs/dbraw/zinc/80/63/38/1015806338.db2.gz PBWZWYURTVOMEF-GJZGRUSLSA-N 1 1 328.225 3.622 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc3cc(C#N)ccc3n2)C1 ZINC000538084563 1032133883 /nfs/dbraw/zinc/13/38/83/1032133883.db2.gz ZJQPIOJIFMMVJY-UZLBHIALSA-N 1 1 342.446 3.776 20 30 EHEDMO C=CCCCCC[N@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001209422913 1016244486 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CC(C)C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1F ZINC000520172718 1021985186 /nfs/dbraw/zinc/98/51/86/1021985186.db2.gz WEIZSYUSDJQIDP-UHFFFAOYSA-N 1 1 345.462 3.626 20 30 EHEDMO CC(C)C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1F ZINC000520172718 1021985197 /nfs/dbraw/zinc/98/51/97/1021985197.db2.gz WEIZSYUSDJQIDP-UHFFFAOYSA-N 1 1 345.462 3.626 20 30 EHEDMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000438486238 1022020313 /nfs/dbraw/zinc/02/03/13/1022020313.db2.gz XPTXFLKRDUTTDY-KBPBESRZSA-N 1 1 345.512 3.805 20 30 EHEDMO C/C(=C\c1ccccc1OC(F)F)C[NH2+]Cc1nc(C#N)cs1 ZINC000897629518 1033025011 /nfs/dbraw/zinc/02/50/11/1033025011.db2.gz KIGYYUXFJVHDMC-IZZDOVSWSA-N 1 1 335.379 3.809 20 30 EHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000441207580 1022064890 /nfs/dbraw/zinc/06/48/90/1022064890.db2.gz NFTPXHYGUZNBEV-IRXDYDNUSA-N 1 1 337.385 3.805 20 30 EHEDMO CCCN(CCC)c1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000897632150 1033027327 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C[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000328768961 1022483801 /nfs/dbraw/zinc/48/38/01/1022483801.db2.gz IFJSDFXKTKSKNA-HNNXBMFYSA-N 1 1 329.444 3.666 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000328780280 1022497745 /nfs/dbraw/zinc/49/77/45/1022497745.db2.gz MIYWJPNMFKRPQR-CHWSQXEVSA-N 1 1 331.416 3.908 20 30 EHEDMO CCc1nc(C2(NC(=O)CC[N@H+]3CCCC[C@H]3C)CCCC2)no1 ZINC000328795303 1022503582 /nfs/dbraw/zinc/50/35/82/1022503582.db2.gz TZCNCMHJTKCFMP-CQSZACIVSA-N 1 1 334.464 3.622 20 30 EHEDMO Cc1cccc(C)c1C[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000933768274 1022961709 /nfs/dbraw/zinc/96/17/09/1022961709.db2.gz PPQSBJDWOKXHLM-UHFFFAOYSA-N 1 1 332.407 3.857 20 30 EHEDMO Cc1cccc(C)c1C[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000933768274 1022961728 /nfs/dbraw/zinc/96/17/28/1022961728.db2.gz PPQSBJDWOKXHLM-UHFFFAOYSA-N 1 1 332.407 3.857 20 30 EHEDMO Cc1cc([C@@H]2CC[N@@H+](Cc3cccc(C#N)n3)C2)c(O)cc1Cl ZINC000602713663 1033100383 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325.456 3.555 20 30 EHEDMO C=CCC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000131038029 1023211815 /nfs/dbraw/zinc/21/18/15/1023211815.db2.gz GIWWAFPXJDJVQR-NEWSRXKRSA-N 1 1 329.488 3.676 20 30 EHEDMO CCC[C@H]1CN(C(=O)CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000594000602 1033121022 /nfs/dbraw/zinc/12/10/22/1033121022.db2.gz DKKSTGXQBYQTMN-IBGZPJMESA-N 1 1 327.472 3.583 20 30 EHEDMO Cc1cc(C#N)cc(C)c1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000897711402 1033128324 /nfs/dbraw/zinc/12/83/24/1033128324.db2.gz LUIFVUCLJJRIOI-FUHWJXTLSA-N 1 1 339.483 3.558 20 30 EHEDMO C=CCOc1ccc(C[N@H+](Cc2ccccc2)C[C@H](C)O)cc1OC ZINC000535805445 1023657578 /nfs/dbraw/zinc/65/75/78/1023657578.db2.gz MRSSVSLLZGBDCC-KRWDZBQOSA-N 1 1 341.451 3.643 20 30 EHEDMO COCC1(C#N)CC[NH+](Cc2ccc(Br)cc2C)CC1 ZINC000341999962 1023750637 /nfs/dbraw/zinc/75/06/37/1023750637.db2.gz WAZDCKZJEROPEQ-UHFFFAOYSA-N 1 1 337.261 3.510 20 30 EHEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC2(CC#N)CC2)[C@@H]2CCCC[C@H]12 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333.435 3.642 20 30 EHEDMO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1F ZINC000121107900 1024069658 /nfs/dbraw/zinc/06/96/58/1024069658.db2.gz NKBCZKGOQZBXCT-FQEVSTJZSA-N 1 1 326.415 3.716 20 30 EHEDMO CC(C)[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)N1CCCC1 ZINC000236681762 1024088286 /nfs/dbraw/zinc/08/82/86/1024088286.db2.gz WFMARRYFGDTWHJ-FQEVSTJZSA-N 1 1 329.488 3.579 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000614600649 1024170936 /nfs/dbraw/zinc/17/09/36/1024170936.db2.gz APLYOCQDACRGPM-HLLBOEOZSA-N 1 1 343.496 3.894 20 30 EHEDMO CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000329884056 1024234768 /nfs/dbraw/zinc/23/47/68/1024234768.db2.gz RWWRSJBLOXQAET-OAHLLOKOSA-N 1 1 328.416 3.531 20 30 EHEDMO COc1cccc(OCC[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000443611630 1024235488 /nfs/dbraw/zinc/23/54/88/1024235488.db2.gz AVAJVTUHSDSAQU-SFTDATJTSA-N 1 1 336.435 3.846 20 30 EHEDMO COc1cccc(OCC[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000443611630 1024235505 /nfs/dbraw/zinc/23/55/05/1024235505.db2.gz AVAJVTUHSDSAQU-SFTDATJTSA-N 1 1 336.435 3.846 20 30 EHEDMO CCC[C@H](NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC000329905821 1024245308 /nfs/dbraw/zinc/24/53/08/1024245308.db2.gz JTHFDSGZPIBLNS-RDJZCZTQSA-N 1 1 332.492 3.698 20 30 EHEDMO CC(C)(C)n1nc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1C1CC1 ZINC000329935279 1024255330 /nfs/dbraw/zinc/25/53/30/1024255330.db2.gz CLKZVJXKJHJEJL-MRXNPFEDSA-N 1 1 344.503 3.837 20 30 EHEDMO CC(C)(C)n1nc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1C1CC1 ZINC000329935278 1024256545 /nfs/dbraw/zinc/25/65/45/1024256545.db2.gz CLKZVJXKJHJEJL-INIZCTEOSA-N 1 1 344.503 3.837 20 30 EHEDMO N#Cc1cc(F)ccc1CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434686565 1024297031 /nfs/dbraw/zinc/29/70/31/1024297031.db2.gz AAFHZNVFYJSXJF-UHFFFAOYSA-N 1 1 338.430 3.610 20 30 EHEDMO CC[NH+](CC)[C@@H](CNCc1ccc(C#N)s1)Cc1ccccc1 ZINC000538346361 1024308533 /nfs/dbraw/zinc/30/85/33/1024308533.db2.gz MTPOGECZGZCOAX-QGZVFWFLSA-N 1 1 327.497 3.662 20 30 EHEDMO Cc1oc(NC(=O)C[N@H+](Cc2cccc(F)c2)C(C)C)c(C#N)c1C ZINC000434714535 1024321789 /nfs/dbraw/zinc/32/17/89/1024321789.db2.gz QVJPHCKQDQPEOA-UHFFFAOYSA-N 1 1 343.402 3.756 20 30 EHEDMO Cc1oc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C(C)C)c(C#N)c1C ZINC000434714535 1024321807 /nfs/dbraw/zinc/32/18/07/1024321807.db2.gz QVJPHCKQDQPEOA-UHFFFAOYSA-N 1 1 343.402 3.756 20 30 EHEDMO COC(=O)[C@@H]1CCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191481282 1024336102 /nfs/dbraw/zinc/33/61/02/1024336102.db2.gz CKKFLHZIRLLGML-FQEVSTJZSA-N 1 1 348.446 3.524 20 30 EHEDMO COC(=O)[C@@H]1CCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191481282 1024336110 /nfs/dbraw/zinc/33/61/10/1024336110.db2.gz CKKFLHZIRLLGML-FQEVSTJZSA-N 1 1 348.446 3.524 20 30 EHEDMO Cc1cc(N2CCC(NC(=O)[C@@H]3CC34CCCC4)CC2)nc(C)[nH+]1 ZINC000330187410 1024348292 /nfs/dbraw/zinc/34/82/92/1024348292.db2.gz KKIRPDCBFLVQGP-INIZCTEOSA-N 1 1 328.460 3.599 20 30 EHEDMO C=CCC[C@@H]([NH2+]Cc1nnc(C)n1C)c1ccc(C(F)(F)F)cc1 ZINC000342192834 1024359099 /nfs/dbraw/zinc/35/90/99/1024359099.db2.gz MATKAOSGTGTLID-OAHLLOKOSA-N 1 1 338.377 3.939 20 30 EHEDMO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330241936 1024367492 /nfs/dbraw/zinc/36/74/92/1024367492.db2.gz JFEAKYPOPXPEJM-RDJZCZTQSA-N 1 1 346.471 3.729 20 30 EHEDMO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330241936 1024367512 /nfs/dbraw/zinc/36/75/12/1024367512.db2.gz JFEAKYPOPXPEJM-RDJZCZTQSA-N 1 1 346.471 3.729 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000443660961 1024374389 /nfs/dbraw/zinc/37/43/89/1024374389.db2.gz ZTIZTHVWFDAIIR-IKGGRYGDSA-N 1 1 345.462 3.829 20 30 EHEDMO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000330289324 1024384885 /nfs/dbraw/zinc/38/48/85/1024384885.db2.gz DTNPTXNTMWMQPN-IFXJQAMLSA-N 1 1 346.519 3.722 20 30 EHEDMO CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc(Cl)cc1 ZINC000434747566 1024398285 /nfs/dbraw/zinc/39/82/85/1024398285.db2.gz REQWYBXBHCFMQX-UHFFFAOYSA-N 1 1 345.830 3.882 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc(Cl)cc1 ZINC000434747566 1024398287 /nfs/dbraw/zinc/39/82/87/1024398287.db2.gz REQWYBXBHCFMQX-UHFFFAOYSA-N 1 1 345.830 3.882 20 30 EHEDMO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000474155819 1024450723 /nfs/dbraw/zinc/45/07/23/1024450723.db2.gz SUUQVYYTOJHTEM-UHFFFAOYSA-N 1 1 339.414 3.937 20 30 EHEDMO C[N@@H+](CCC1CCCCC1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000434841706 1024452530 /nfs/dbraw/zinc/45/25/30/1024452530.db2.gz HGFSXALTKGHTRP-INIZCTEOSA-N 1 1 331.485 3.627 20 30 EHEDMO CCC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(C#N)cc1 ZINC000281950660 1024464280 /nfs/dbraw/zinc/46/42/80/1024464280.db2.gz JNDOOAMCNXCHSN-UHFFFAOYSA-N 1 1 325.456 3.871 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1CNC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168026938 1024468316 /nfs/dbraw/zinc/46/83/16/1024468316.db2.gz MKQQXYVXOMODIW-IPJJNNNSSA-N 1 1 341.543 3.668 20 30 EHEDMO C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000106245554 1024564683 /nfs/dbraw/zinc/56/46/83/1024564683.db2.gz HSHKURPWISAUFC-UHFFFAOYSA-N 1 1 342.405 3.758 20 30 EHEDMO C=C(C)C[NH+]1CCC(NCc2cccc(OCC(F)(F)F)c2)CC1 ZINC000106245554 1024564691 /nfs/dbraw/zinc/56/46/91/1024564691.db2.gz HSHKURPWISAUFC-UHFFFAOYSA-N 1 1 342.405 3.758 20 30 EHEDMO CCOC(=O)c1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)[nH]c1C ZINC000425368633 1024883189 /nfs/dbraw/zinc/88/31/89/1024883189.db2.gz XHTSCYQGAFMQHU-AWEZNQCLSA-N 1 1 325.412 3.565 20 30 EHEDMO N#Cc1cc(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)cs1 ZINC000895840589 1024886303 /nfs/dbraw/zinc/88/63/03/1024886303.db2.gz IPHWCDPGFOTJDY-UHFFFAOYSA-N 1 1 328.441 3.650 20 30 EHEDMO C=CCC1(O)CC[NH+](Cc2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC000895834251 1024900046 /nfs/dbraw/zinc/90/00/46/1024900046.db2.gz IUHJLUOTEAHJBZ-UHFFFAOYSA-N 1 1 329.362 3.617 20 30 EHEDMO CC[C@@H]1CN(C(=O)c2cccc(C#N)c2C)CC[N@@H+]1Cc1ccccc1 ZINC000338115705 1024912545 /nfs/dbraw/zinc/91/25/45/1024912545.db2.gz AAQRHOQRWKYEBZ-HXUWFJFHSA-N 1 1 347.462 3.603 20 30 EHEDMO CC[C@@H]1CN(C(=O)c2cccc(C#N)c2C)CC[N@H+]1Cc1ccccc1 ZINC000338115705 1024912561 /nfs/dbraw/zinc/91/25/61/1024912561.db2.gz AAQRHOQRWKYEBZ-HXUWFJFHSA-N 1 1 347.462 3.603 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000274825968 1024914738 /nfs/dbraw/zinc/91/47/38/1024914738.db2.gz KZKRISDZCJAVPQ-IIBYNOLFSA-N 1 1 337.442 3.698 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(F)c(C#N)c1 ZINC000274825968 1024914747 /nfs/dbraw/zinc/91/47/47/1024914747.db2.gz KZKRISDZCJAVPQ-IIBYNOLFSA-N 1 1 337.442 3.698 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(F)c(C#N)c1 ZINC000274825968 1024914756 /nfs/dbraw/zinc/91/47/56/1024914756.db2.gz KZKRISDZCJAVPQ-IIBYNOLFSA-N 1 1 337.442 3.698 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000274825968 1024914765 /nfs/dbraw/zinc/91/47/65/1024914765.db2.gz KZKRISDZCJAVPQ-IIBYNOLFSA-N 1 1 337.442 3.698 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)cc1OC ZINC000281349487 1024926499 /nfs/dbraw/zinc/92/64/99/1024926499.db2.gz TZPMMGRXTSVNBD-SFHVURJKSA-N 1 1 341.455 3.721 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCCC[C@H]2c2ccnn2C)cc1OC ZINC000281349487 1024926504 /nfs/dbraw/zinc/92/65/04/1024926504.db2.gz TZPMMGRXTSVNBD-SFHVURJKSA-N 1 1 341.455 3.721 20 30 EHEDMO C=CC[C@@H](CC)NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000281396771 1024999966 /nfs/dbraw/zinc/99/99/66/1024999966.db2.gz PJBXPAXWTYCSEA-RBUKOAKNSA-N 1 1 329.488 3.505 20 30 EHEDMO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000895994535 1025062533 /nfs/dbraw/zinc/06/25/33/1025062533.db2.gz MILFRQWUOHXZMV-INIZCTEOSA-N 1 1 332.513 3.823 20 30 EHEDMO C=CCC[C@H](NC(=O)N1CCC[N@H+](C(C)C)CC1)c1ccccc1 ZINC000435766633 1025127085 /nfs/dbraw/zinc/12/70/85/1025127085.db2.gz ZFWYQSWPGLHMHF-IBGZPJMESA-N 1 1 329.488 3.820 20 30 EHEDMO C=CCCn1cc(CNc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)nn1 ZINC000657321193 1025141209 /nfs/dbraw/zinc/14/12/09/1025141209.db2.gz PZAVLUXHEQOINA-QGZVFWFLSA-N 1 1 339.487 3.698 20 30 EHEDMO COc1cc([C@H](C)[NH2+]C[C@@H](C#N)CCC#N)ccc1OCC(C)C ZINC000119679037 1025178151 /nfs/dbraw/zinc/17/81/51/1025178151.db2.gz JRESUEWJGLGHEI-JKSUJKDBSA-N 1 1 329.444 3.824 20 30 EHEDMO COc1cc2c(cc1C[NH2+]C1(c3cccc(C#N)c3)CC1)O[C@H](C)C2 ZINC000551226868 1025196900 /nfs/dbraw/zinc/19/69/00/1025196900.db2.gz BHQLTLJVZBVABE-CQSZACIVSA-N 1 1 334.419 3.669 20 30 EHEDMO Cc1cccc(C[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC(C)C)c1 ZINC000521195759 1025268672 /nfs/dbraw/zinc/26/86/72/1025268672.db2.gz RKKHMNPJPQXZDT-UHFFFAOYSA-N 1 1 349.478 3.641 20 30 EHEDMO C[C@H](NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000046527129 1033274203 /nfs/dbraw/zinc/27/42/03/1033274203.db2.gz YGBQJWYHAZWHCR-AWEZNQCLSA-N 1 1 341.842 3.521 20 30 EHEDMO C[C@H](NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000046527129 1033274217 /nfs/dbraw/zinc/27/42/17/1033274217.db2.gz YGBQJWYHAZWHCR-AWEZNQCLSA-N 1 1 341.842 3.521 20 30 EHEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425450582 1025326660 /nfs/dbraw/zinc/32/66/60/1025326660.db2.gz KULSOXJIAQOAJB-QFBILLFUSA-N 1 1 342.487 3.525 20 30 EHEDMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046528603 1033275219 /nfs/dbraw/zinc/27/52/19/1033275219.db2.gz RLMPZICPBASCRQ-AWEZNQCLSA-N 1 1 341.842 3.979 20 30 EHEDMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046528603 1033275236 /nfs/dbraw/zinc/27/52/36/1033275236.db2.gz RLMPZICPBASCRQ-AWEZNQCLSA-N 1 1 341.842 3.979 20 30 EHEDMO N#Cc1c(F)cccc1CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000428253920 1025374124 /nfs/dbraw/zinc/37/41/24/1025374124.db2.gz SZSSQALFWOJMMX-YVMONPNESA-N 1 1 335.426 3.528 20 30 EHEDMO N#Cc1cccc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000551577397 1025378615 /nfs/dbraw/zinc/37/86/15/1025378615.db2.gz XJXAZSCIEMFWCM-UHFFFAOYSA-N 1 1 327.771 3.899 20 30 EHEDMO CC(C)C[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1ccc(C#N)cc1 ZINC000442802414 1025497482 /nfs/dbraw/zinc/49/74/82/1025497482.db2.gz QZAADRHLCWHXOS-UHFFFAOYSA-N 1 1 336.361 3.958 20 30 EHEDMO COc1cc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C(C)C)ccc1C#N ZINC000442886251 1025565651 /nfs/dbraw/zinc/56/56/51/1025565651.db2.gz QKLSJGXMJLVQLN-FQEVSTJZSA-N 1 1 338.451 3.586 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000425532371 1025657646 /nfs/dbraw/zinc/65/76/46/1025657646.db2.gz JHHAKGUIKVSVMI-IERDGZPVSA-N 1 1 347.462 3.745 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000425532371 1025657659 /nfs/dbraw/zinc/65/76/59/1025657659.db2.gz JHHAKGUIKVSVMI-IERDGZPVSA-N 1 1 347.462 3.745 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N(C)CC1CCCCC1 ZINC000425532252 1025659122 /nfs/dbraw/zinc/65/91/22/1025659122.db2.gz IVUGHJABNKCHAR-INIZCTEOSA-N 1 1 327.472 3.590 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N(C)CC1CCCCC1 ZINC000425532252 1025659131 /nfs/dbraw/zinc/65/91/31/1025659131.db2.gz IVUGHJABNKCHAR-INIZCTEOSA-N 1 1 327.472 3.590 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000425529472 1025664891 /nfs/dbraw/zinc/66/48/91/1025664891.db2.gz BVSYGQWVMKFAON-CQSZACIVSA-N 1 1 325.368 3.538 20 30 EHEDMO N#Cc1cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)ccc1F ZINC000342468495 1025694938 /nfs/dbraw/zinc/69/49/38/1025694938.db2.gz DRRPWHKONITWCK-LJQANCHMSA-N 1 1 337.398 3.691 20 30 EHEDMO N#Cc1cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)ccc1F ZINC000342468495 1025694941 /nfs/dbraw/zinc/69/49/41/1025694941.db2.gz DRRPWHKONITWCK-LJQANCHMSA-N 1 1 337.398 3.691 20 30 EHEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000515866278 1025708059 /nfs/dbraw/zinc/70/80/59/1025708059.db2.gz DTPBJEAHNDIGDA-OAHLLOKOSA-N 1 1 335.407 3.631 20 30 EHEDMO Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000178554865 1025766983 /nfs/dbraw/zinc/76/69/83/1025766983.db2.gz BSFCPJZCJYERAW-LJQANCHMSA-N 1 1 348.450 3.653 20 30 EHEDMO Cc1ccccc1C[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000444157939 1025806711 /nfs/dbraw/zinc/80/67/11/1025806711.db2.gz HHIGJVNSWYFRGO-OAQYLSRUSA-N 1 1 347.462 3.902 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000487425079 1025826044 /nfs/dbraw/zinc/82/60/44/1025826044.db2.gz DZBQMYXATMDEIJ-UHFFFAOYSA-N 1 1 333.479 3.806 20 30 EHEDMO C[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)C[C@H](c2ccc(F)cc2)O1 ZINC000281976845 1025851204 /nfs/dbraw/zinc/85/12/04/1025851204.db2.gz LPQKUHWQNRGXPD-VQIMIIECSA-N 1 1 346.446 3.688 20 30 EHEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)C[C@H](c2ccc(F)cc2)O1 ZINC000281976845 1025851220 /nfs/dbraw/zinc/85/12/20/1025851220.db2.gz LPQKUHWQNRGXPD-VQIMIIECSA-N 1 1 346.446 3.688 20 30 EHEDMO Cc1ccc(C#N)c(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000127621567 1026187252 /nfs/dbraw/zinc/18/72/52/1026187252.db2.gz KIJGJEISJVSLTE-UHFFFAOYSA-N 1 1 340.858 3.627 20 30 EHEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000342549877 1026251046 /nfs/dbraw/zinc/25/10/46/1026251046.db2.gz SLLRPKSZPZPSCY-IBGZPJMESA-N 1 1 341.499 3.883 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1Br)[C@H](CO)CC(C)(C)C ZINC000451794327 1026299314 /nfs/dbraw/zinc/29/93/14/1026299314.db2.gz XCGJOAWJENPFPS-AWEZNQCLSA-N 1 1 339.277 3.550 20 30 EHEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)N1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000187762257 1026315983 /nfs/dbraw/zinc/31/59/83/1026315983.db2.gz GYYOYYQWVURWJX-KDOFPFPSSA-N 1 1 336.426 3.819 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2Cc2ccc(C#N)cc2)CC1 ZINC000375707870 1026341294 /nfs/dbraw/zinc/34/12/94/1026341294.db2.gz ZDGIJEAHVOXAEL-UHFFFAOYSA-N 1 1 341.455 3.534 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(OCCCC#N)c1 ZINC000339266854 1026477705 /nfs/dbraw/zinc/47/77/05/1026477705.db2.gz WCOFXBVTDQVCOK-MRXNPFEDSA-N 1 1 329.444 3.572 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@]2(CO)CC(C)C)cc1OC ZINC000475373033 1026529039 /nfs/dbraw/zinc/52/90/39/1026529039.db2.gz WGKDFUQFLUURCC-HXUWFJFHSA-N 1 1 333.472 3.633 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277715200 1026666742 /nfs/dbraw/zinc/66/67/42/1026666742.db2.gz IUTHORMZMZMSGF-HOCLYGCPSA-N 1 1 340.389 3.623 20 30 EHEDMO N#Cc1c(F)cccc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000428344779 1026848517 /nfs/dbraw/zinc/84/85/17/1026848517.db2.gz KILBPHZRZMMOSH-HXUWFJFHSA-N 1 1 338.382 3.709 20 30 EHEDMO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc(C(C)(C)C)cs1 ZINC000342725771 1026861283 /nfs/dbraw/zinc/86/12/83/1026861283.db2.gz ILNCPJFZRCGCRZ-LBPRGKRZSA-N 1 1 339.468 3.811 20 30 EHEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000158681568 1026866713 /nfs/dbraw/zinc/86/67/13/1026866713.db2.gz OJDHJQAKXORTNI-DOTOQJQBSA-N 1 1 331.460 3.513 20 30 EHEDMO C[C@@H](Nc1cc(Br)c(C#N)cc1F)C1=CC[N@@H+](C)CC1 ZINC000563425622 1026870242 /nfs/dbraw/zinc/87/02/42/1026870242.db2.gz PCYAGUGCONEOIC-SNVBAGLBSA-N 1 1 338.224 3.522 20 30 EHEDMO C=CCC[N@H+](C)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000342731635 1026885678 /nfs/dbraw/zinc/88/56/78/1026885678.db2.gz LSZUUDKQKIAGCF-MRXNPFEDSA-N 1 1 340.389 3.704 20 30 EHEDMO N#CCCC[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000342739052 1026913717 /nfs/dbraw/zinc/91/37/17/1026913717.db2.gz VMABMJXFJYMXEV-UHFFFAOYSA-N 1 1 337.261 3.734 20 30 EHEDMO CC1CC(C#N)(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000531558424 1027042869 /nfs/dbraw/zinc/04/28/69/1027042869.db2.gz CTMPYNDITWESBV-BQIYRTECSA-N 1 1 339.483 3.617 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000501712503 1027469872 /nfs/dbraw/zinc/46/98/72/1027469872.db2.gz ZWFXJYYFVWCNQE-CALCHBBNSA-N 1 1 349.544 3.814 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000255547124 1027580659 /nfs/dbraw/zinc/58/06/59/1027580659.db2.gz XJOFNPKFQMZLKM-WCIBSUBMSA-N 1 1 333.347 3.985 20 30 EHEDMO COc1ccc(C[N@H+](Cc2cccc(C#N)c2)CC2CC2)c(OC)c1 ZINC000503211394 1027645945 /nfs/dbraw/zinc/64/59/45/1027645945.db2.gz QZDZLXYNQACNTB-UHFFFAOYSA-N 1 1 336.435 3.988 20 30 EHEDMO CC(C)(C)[N@H+]1CCCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000533374025 1027728927 /nfs/dbraw/zinc/72/89/27/1027728927.db2.gz GVMGPIYLYQJRRC-GOSISDBHSA-N 1 1 342.487 3.547 20 30 EHEDMO Cc1ccc([C@H](NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)C2CC2)cc1 ZINC000026329765 1027764568 /nfs/dbraw/zinc/76/45/68/1027764568.db2.gz NAZRDRVXHXKSDW-QFIPXVFZSA-N 1 1 347.462 3.566 20 30 EHEDMO Cc1ccc([C@H](NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)C2CC2)cc1 ZINC000026329765 1027764586 /nfs/dbraw/zinc/76/45/86/1027764586.db2.gz NAZRDRVXHXKSDW-QFIPXVFZSA-N 1 1 347.462 3.566 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1 ZINC000533429501 1027864247 /nfs/dbraw/zinc/86/42/47/1027864247.db2.gz CFINZYXPPRBWJR-YTQUADARSA-N 1 1 339.483 3.526 20 30 EHEDMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000420924380 1027873964 /nfs/dbraw/zinc/87/39/64/1027873964.db2.gz JWIKQUWFBNVCCX-MAUKXSAKSA-N 1 1 328.456 3.695 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C3CCCC3)C2)c(C#N)c1C ZINC000420961517 1027933243 /nfs/dbraw/zinc/93/32/43/1027933243.db2.gz ITXNFFSVRWWZCZ-BBRMVZONSA-N 1 1 329.444 3.607 20 30 EHEDMO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000421009575 1027964297 /nfs/dbraw/zinc/96/42/97/1027964297.db2.gz BTDXNCVUNYNFNT-INIZCTEOSA-N 1 1 339.464 3.826 20 30 EHEDMO CC1(C)[C@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000421009575 1027964307 /nfs/dbraw/zinc/96/43/07/1027964307.db2.gz BTDXNCVUNYNFNT-INIZCTEOSA-N 1 1 339.464 3.826 20 30 EHEDMO C[C@@H]1CC[C@@H](O)C[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000421005026 1027984849 /nfs/dbraw/zinc/98/48/49/1027984849.db2.gz GESMLDXBSMGDDL-WIYYLYMNSA-N 1 1 334.463 3.732 20 30 EHEDMO C=C(C)CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455328446 1028012444 /nfs/dbraw/zinc/01/24/44/1028012444.db2.gz RHVLCZIVKCFQLZ-WOJBJXKFSA-N 1 1 341.499 3.649 20 30 EHEDMO C=CC(C)(C)CNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000455366497 1028071206 /nfs/dbraw/zinc/07/12/06/1028071206.db2.gz MDPSJWKXVLPMDD-QGZVFWFLSA-N 1 1 329.488 3.505 20 30 EHEDMO N#Cc1ccc(OCc2ccc(C[NH+]3CCOCC3)cc2)cc1Cl ZINC000421216824 1028200415 /nfs/dbraw/zinc/20/04/15/1028200415.db2.gz QHNYCWZYTIMRCC-UHFFFAOYSA-N 1 1 342.826 3.623 20 30 EHEDMO N#Cc1c(NC(=O)C[N@@H+]2CCCC23CCC3)sc2c1CCCCC2 ZINC000444783105 1028244396 /nfs/dbraw/zinc/24/43/96/1028244396.db2.gz KQSJDARAAOJYAH-UHFFFAOYSA-N 1 1 343.496 3.846 20 30 EHEDMO N#Cc1c(NC(=O)C[N@H+]2CCCC23CCC3)sc2c1CCCCC2 ZINC000444783105 1028244411 /nfs/dbraw/zinc/24/44/11/1028244411.db2.gz KQSJDARAAOJYAH-UHFFFAOYSA-N 1 1 343.496 3.846 20 30 EHEDMO C=CC[C@H]1[N@H+](CCCS(=O)(=O)c2ccccc2)CCCC1(C)C ZINC000444777932 1028270603 /nfs/dbraw/zinc/27/06/03/1028270603.db2.gz UGPMGKBONMHOQJ-GOSISDBHSA-N 1 1 335.513 3.917 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H](CCO)CC2)ccc1OC ZINC000421402984 1028353482 /nfs/dbraw/zinc/35/34/82/1028353482.db2.gz WKTRWSKBKWHXAV-KRWDZBQOSA-N 1 1 333.472 3.635 20 30 EHEDMO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C#N)CC1)c1ccc2ccccc2c1 ZINC000057877175 1028377283 /nfs/dbraw/zinc/37/72/83/1028377283.db2.gz KXTXRXPFBMEMTP-CVEARBPZSA-N 1 1 335.451 3.641 20 30 EHEDMO C[C@H]([NH2+][C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1cccc(C#N)c1 ZINC000423380327 1028400790 /nfs/dbraw/zinc/40/07/90/1028400790.db2.gz YJPRWSQIOFJTSG-QKMWGZLOSA-N 1 1 341.405 3.633 20 30 EHEDMO CC1(C)CCc2ccccc2[C@@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000440628194 1028475173 /nfs/dbraw/zinc/47/51/73/1028475173.db2.gz SJIODUKLKZTDEF-VQTJNVASSA-N 1 1 347.462 3.778 20 30 EHEDMO CC(=O)c1ccc(C#N)cc1N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000664362726 1028585124 /nfs/dbraw/zinc/58/51/24/1028585124.db2.gz BXJLSALAFMBHHP-FQEVSTJZSA-N 1 1 347.462 3.514 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429591657 1028588391 /nfs/dbraw/zinc/58/83/91/1028588391.db2.gz OPHQOWUZSYWOMM-XHSDSOJGSA-N 1 1 345.512 3.997 20 30 EHEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cc(C)ccn2)no1 ZINC001211975320 1028720420 /nfs/dbraw/zinc/72/04/20/1028720420.db2.gz DANYRYUHFRXQJE-RDJZCZTQSA-N 1 1 344.459 3.518 20 30 EHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1cc2ccccc2o1 ZINC000472280112 1028815404 /nfs/dbraw/zinc/81/54/04/1028815404.db2.gz RPPIOXUEJDBTGR-OAHLLOKOSA-N 1 1 339.439 3.596 20 30 EHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1cc2ccccc2o1 ZINC000472280112 1028815427 /nfs/dbraw/zinc/81/54/27/1028815427.db2.gz RPPIOXUEJDBTGR-OAHLLOKOSA-N 1 1 339.439 3.596 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1 ZINC000245560724 1028842278 /nfs/dbraw/zinc/84/22/78/1028842278.db2.gz NDQXLPRYORHSHU-LLGFUMIMSA-N 1 1 336.435 3.939 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1 ZINC000245560724 1028842291 /nfs/dbraw/zinc/84/22/91/1028842291.db2.gz NDQXLPRYORHSHU-LLGFUMIMSA-N 1 1 336.435 3.939 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000248447926 1028907505 /nfs/dbraw/zinc/90/75/05/1028907505.db2.gz DIGSRDTXCHLOMW-MGPUTAFESA-N 1 1 340.398 3.770 20 30 EHEDMO CCN1CC[C@@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)[C@@H](C)C1 ZINC000245688185 1029007483 /nfs/dbraw/zinc/00/74/83/1029007483.db2.gz AYIDSWXLPMIHFO-FXAWDEMLSA-N 1 1 329.488 3.531 20 30 EHEDMO CCN1CC[C@@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)[C@@H](C)C1 ZINC000245688185 1029007505 /nfs/dbraw/zinc/00/75/05/1029007505.db2.gz AYIDSWXLPMIHFO-FXAWDEMLSA-N 1 1 329.488 3.531 20 30 EHEDMO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(OCCCC#N)c2)[C@@H](C)C1 ZINC000245688185 1029007522 /nfs/dbraw/zinc/00/75/22/1029007522.db2.gz AYIDSWXLPMIHFO-FXAWDEMLSA-N 1 1 329.488 3.531 20 30 EHEDMO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(OCCCC#N)c2)[C@@H](C)C1 ZINC000245688185 1029007538 /nfs/dbraw/zinc/00/75/38/1029007538.db2.gz AYIDSWXLPMIHFO-FXAWDEMLSA-N 1 1 329.488 3.531 20 30 EHEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@H](C)C(C)(C)C)c(OC)c1 ZINC000532927986 1029052856 /nfs/dbraw/zinc/05/28/56/1029052856.db2.gz IGVXMWJNRPHRAK-NVXWUHKLSA-N 1 1 335.488 3.530 20 30 EHEDMO C=C(C)C(C)(C)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000424679844 1029256491 /nfs/dbraw/zinc/25/64/91/1029256491.db2.gz LYHRXPCKHSTELQ-HOTGVXAUSA-N 1 1 330.472 3.837 20 30 EHEDMO C=CCC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000533076236 1029280950 /nfs/dbraw/zinc/28/09/50/1029280950.db2.gz SKJPBHHZFYXPTL-GOEBONIOSA-N 1 1 340.389 3.781 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000026344890 1029387127 /nfs/dbraw/zinc/38/71/27/1029387127.db2.gz ZOJCGFGJCIPMFE-UHFFFAOYSA-N 1 1 339.870 3.920 20 30 EHEDMO N#Cc1cccc(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000026344890 1029387138 /nfs/dbraw/zinc/38/71/38/1029387138.db2.gz ZOJCGFGJCIPMFE-UHFFFAOYSA-N 1 1 339.870 3.920 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1F ZINC000191986930 1029388314 /nfs/dbraw/zinc/38/83/14/1029388314.db2.gz OLDCSSXHCGTMNH-SFHVURJKSA-N 1 1 338.382 3.806 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1F ZINC000191986930 1029388325 /nfs/dbraw/zinc/38/83/25/1029388325.db2.gz OLDCSSXHCGTMNH-SFHVURJKSA-N 1 1 338.382 3.806 20 30 EHEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192053519 1029473108 /nfs/dbraw/zinc/47/31/08/1029473108.db2.gz WXVLFDBNYFQAEO-ZLOXQWCVSA-N 1 1 330.428 3.628 20 30 EHEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192053519 1029473113 /nfs/dbraw/zinc/47/31/13/1029473113.db2.gz WXVLFDBNYFQAEO-ZLOXQWCVSA-N 1 1 330.428 3.628 20 30 EHEDMO C=CCCC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000162279475 1029525814 /nfs/dbraw/zinc/52/58/14/1029525814.db2.gz RKNHKARJMMJTKJ-UHFFFAOYSA-N 1 1 332.447 3.867 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)CC1CCC1 ZINC000533302892 1029605817 /nfs/dbraw/zinc/60/58/17/1029605817.db2.gz CPWIMCGUFZGIDH-ZDUSSCGKSA-N 1 1 345.512 3.948 20 30 EHEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000583304114 1029613414 /nfs/dbraw/zinc/61/34/14/1029613414.db2.gz LBJVZEMNRXHQST-KGLIPLIRSA-N 1 1 345.468 3.500 20 30 EHEDMO C[C@@H](NC(=O)C[N@H+](C)Cc1cccc(C#N)c1)c1ccccc1Cl ZINC000026325735 1029645660 /nfs/dbraw/zinc/64/56/60/1029645660.db2.gz UMLFSGCBNVYNHB-CQSZACIVSA-N 1 1 341.842 3.521 20 30 EHEDMO C[C@@H](NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1)c1ccccc1Cl ZINC000026325735 1029645664 /nfs/dbraw/zinc/64/56/64/1029645664.db2.gz UMLFSGCBNVYNHB-CQSZACIVSA-N 1 1 341.842 3.521 20 30 EHEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1c(C)cccc1CC ZINC000272279025 1029808496 /nfs/dbraw/zinc/80/84/96/1029808496.db2.gz MLTOJUXSMUYNBL-UHFFFAOYSA-N 1 1 326.440 3.820 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1c(C)cccc1CC ZINC000272279025 1029808505 /nfs/dbraw/zinc/80/85/05/1029808505.db2.gz MLTOJUXSMUYNBL-UHFFFAOYSA-N 1 1 326.440 3.820 20 30 EHEDMO CCOC(=O)[C@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)Cc2ccccc21 ZINC000441123989 1029812722 /nfs/dbraw/zinc/81/27/22/1029812722.db2.gz JXDXYCMRMTVZIW-QRWLVFNGSA-N 1 1 334.419 3.782 20 30 EHEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273614365 1029827439 /nfs/dbraw/zinc/82/74/39/1029827439.db2.gz WXDSPNWAWNPKHR-AWEZNQCLSA-N 1 1 341.407 3.594 20 30 EHEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455711452 1029857008 /nfs/dbraw/zinc/85/70/08/1029857008.db2.gz YWFYVBVPBRRIAK-OAHLLOKOSA-N 1 1 348.878 3.792 20 30 EHEDMO CC[C@@H](C[N@@H+](CC)CC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000481739933 1029897122 /nfs/dbraw/zinc/89/71/22/1029897122.db2.gz URPLRVOVBCVJAC-FXAWDEMLSA-N 1 1 329.488 3.557 20 30 EHEDMO CC[C@H](C[N@@H+](CC)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000481768053 1029933682 /nfs/dbraw/zinc/93/36/82/1029933682.db2.gz PDOBKEPZRRBQOA-WAOWUJCRSA-N 1 1 343.515 3.945 20 30 EHEDMO C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000447101722 1029940558 /nfs/dbraw/zinc/94/05/58/1029940558.db2.gz PYRFPLOPRKWHNM-HNNXBMFYSA-N 1 1 348.475 3.879 20 30 EHEDMO C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000447101722 1029940571 /nfs/dbraw/zinc/94/05/71/1029940571.db2.gz PYRFPLOPRKWHNM-HNNXBMFYSA-N 1 1 348.475 3.879 20 30 EHEDMO C=CCCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000476534129 1030018921 /nfs/dbraw/zinc/01/89/21/1030018921.db2.gz MLTYCEKYECOAPU-IAGOWNOFSA-N 1 1 332.875 3.948 20 30 EHEDMO C=CCCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000476534129 1030018931 /nfs/dbraw/zinc/01/89/31/1030018931.db2.gz MLTYCEKYECOAPU-IAGOWNOFSA-N 1 1 332.875 3.948 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1cc[nH+]c1C1CC1 ZINC000600610428 1030050834 /nfs/dbraw/zinc/05/08/34/1030050834.db2.gz HFTSMVFPPPHOET-CYBMUJFWSA-N 1 1 340.452 3.793 20 30 EHEDMO C=CCC[C@H](NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000458577428 1030055649 /nfs/dbraw/zinc/05/56/49/1030055649.db2.gz OSHLGDFXGIDPIC-HKUYNNGSSA-N 1 1 329.488 3.725 20 30 EHEDMO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000453449145 1030322552 /nfs/dbraw/zinc/32/25/52/1030322552.db2.gz DYIRYTROKYTEMX-ZJPYXAASSA-N 1 1 345.535 3.534 20 30 EHEDMO CC(C)(C)C[N@@H+](CCC#N)CCC(=O)NCc1ccccc1Cl ZINC000157241056 1030390521 /nfs/dbraw/zinc/39/05/21/1030390521.db2.gz LNXWYQQWOMQIKV-UHFFFAOYSA-N 1 1 335.879 3.608 20 30 EHEDMO CC(C)O[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000593053371 1030417572 /nfs/dbraw/zinc/41/75/72/1030417572.db2.gz CXVSSWYIALKHAS-OAHLLOKOSA-N 1 1 337.261 3.710 20 30 EHEDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000593053371 1030417581 /nfs/dbraw/zinc/41/75/81/1030417581.db2.gz CXVSSWYIALKHAS-OAHLLOKOSA-N 1 1 337.261 3.710 20 30 EHEDMO N#Cc1ccc2ncc(C[N@@H+]3CCCC[C@H]3Cc3ccc(F)cc3)n2c1 ZINC000537637844 1030417840 /nfs/dbraw/zinc/41/78/40/1030417840.db2.gz BGROSIWYGZPGMN-IBGZPJMESA-N 1 1 348.425 3.942 20 30 EHEDMO C[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447854283 1030543291 /nfs/dbraw/zinc/54/32/91/1030543291.db2.gz KSOYGVYDNQILAF-JXFKEZNVSA-N 1 1 333.435 3.747 20 30 EHEDMO C[C@H]1OCC[C@]1(O)C[N@@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000447931432 1030608372 /nfs/dbraw/zinc/60/83/72/1030608372.db2.gz XQUUIUTYTNQZNH-NQIIRXRSSA-N 1 1 344.499 3.749 20 30 EHEDMO Cc1cc(-c2noc([C@H](C)[NH2+][C@H]3CCC[C@@H](C#N)C3)n2)ccc1F ZINC000278429265 1030770299 /nfs/dbraw/zinc/77/02/99/1030770299.db2.gz SXIVAMKOOZEXED-GUTXKFCHSA-N 1 1 328.391 3.917 20 30 EHEDMO CCCCO[C@H]1C[C@H]([N@@H+](C)Cc2cnc3ccc(C#N)cn23)C1(C)C ZINC000537656545 1030895010 /nfs/dbraw/zinc/89/50/10/1030895010.db2.gz IFMXZVXTUROVCT-ROUUACIJSA-N 1 1 340.471 3.622 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000483099364 1030953258 /nfs/dbraw/zinc/95/32/58/1030953258.db2.gz MEJLVZGGEFMREL-KRWDZBQOSA-N 1 1 337.398 3.515 20 30 EHEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000131268613 1031002507 /nfs/dbraw/zinc/00/25/07/1031002507.db2.gz QHCXRCMAOGVUPR-FQEVSTJZSA-N 1 1 335.451 3.739 20 30 EHEDMO N#Cc1ccc(OCCC[N@H+]2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000729851890 1031014134 /nfs/dbraw/zinc/01/41/34/1031014134.db2.gz DCVPVOACRKRHRR-NRFANRHFSA-N 1 1 336.435 3.791 20 30 EHEDMO C=C(C)[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(F)c(F)c1 ZINC000476940900 1031089646 /nfs/dbraw/zinc/08/96/46/1031089646.db2.gz NMIKBDAMXOSJMG-KURKYZTESA-N 1 1 349.425 3.508 20 30 EHEDMO Cc1ccnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C#N ZINC000343518211 1031213819 /nfs/dbraw/zinc/21/38/19/1031213819.db2.gz YMBYJDXHSCJSGG-PKOBYXMFSA-N 1 1 334.467 3.751 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1cccnc1OC1CCCC1 ZINC000329599641 1031274410 /nfs/dbraw/zinc/27/44/10/1031274410.db2.gz WURXPZZLOVYSOV-GASCZTMLSA-N 1 1 331.460 3.732 20 30 EHEDMO N#Cc1cccc(-c2nnc(C[NH2+][C@@H](c3ccccc3)C3CC3)o2)c1 ZINC000343567063 1031426162 /nfs/dbraw/zinc/42/61/62/1031426162.db2.gz VLAUSKXRUKDRAV-IBGZPJMESA-N 1 1 330.391 3.849 20 30 EHEDMO COc1cc([C@@H](C)[NH2+]CC2(C#N)CC2)ccc1OCc1ccncc1 ZINC000343586590 1031499238 /nfs/dbraw/zinc/49/92/38/1031499238.db2.gz ZRMBYEKSIYSLDA-OAHLLOKOSA-N 1 1 337.423 3.624 20 30 EHEDMO COc1ccc(F)c(N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000484291138 1031521494 /nfs/dbraw/zinc/52/14/94/1031521494.db2.gz AOOLOPHNBMGKTO-HNNXBMFYSA-N 1 1 339.414 3.589 20 30 EHEDMO COc1ccc(F)c(N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000484329464 1031537980 /nfs/dbraw/zinc/53/79/80/1031537980.db2.gz SEHZBFOQEKZEFM-HNNXBMFYSA-N 1 1 339.414 3.589 20 30 EHEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c1C ZINC000343617803 1031652295 /nfs/dbraw/zinc/65/22/95/1031652295.db2.gz RQXDPZFMLOOQHM-OAHLLOKOSA-N 1 1 340.467 3.742 20 30 EHEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343624166 1031682676 /nfs/dbraw/zinc/68/26/76/1031682676.db2.gz YLYXLESVCQTZRS-CMJOXMDJSA-N 1 1 326.465 3.683 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@H](C2CC2)C1 ZINC000329685022 1031786843 /nfs/dbraw/zinc/78/68/43/1031786843.db2.gz ZTDQCVUDISGYAM-ZFWWWQNUSA-N 1 1 330.428 3.556 20 30 EHEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)C1 ZINC000329691466 1031827623 /nfs/dbraw/zinc/82/76/23/1031827623.db2.gz DKNRRXGOEUDYAB-BSDSXHPESA-N 1 1 344.503 3.965 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000477760374 1031842213 /nfs/dbraw/zinc/84/22/13/1031842213.db2.gz FOIXVEUHVTUIHK-WSTZPKSXSA-N 1 1 341.499 3.664 20 30 EHEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000594337352 1033308831 /nfs/dbraw/zinc/30/88/31/1033308831.db2.gz BUICIFOMMCTPAW-MJGOQNOKSA-N 1 1 349.425 3.689 20 30 EHEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)CCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000594337352 1033308840 /nfs/dbraw/zinc/30/88/40/1033308840.db2.gz BUICIFOMMCTPAW-MJGOQNOKSA-N 1 1 349.425 3.689 20 30 EHEDMO CC[N@H+](Cc1ccccc1Br)C[C@@H](O)CC(C)(C)C#N ZINC000598588255 1033314268 /nfs/dbraw/zinc/31/42/68/1033314268.db2.gz ZXSXDBNQCYQTDB-AWEZNQCLSA-N 1 1 339.277 3.572 20 30 EHEDMO COc1ccc([C@@H]2CCCCC[N@H+]2C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598587769 1033314920 /nfs/dbraw/zinc/31/49/20/1033314920.db2.gz VTYWTKJUIVVNKU-MJGOQNOKSA-N 1 1 330.472 3.913 20 30 EHEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c1 ZINC000898071018 1033320910 /nfs/dbraw/zinc/32/09/10/1033320910.db2.gz CVKQUKXWHJUSLL-QGZVFWFLSA-N 1 1 341.480 3.890 20 30 EHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000598599075 1033322614 /nfs/dbraw/zinc/32/26/14/1033322614.db2.gz YBZWNBXIKGCXRJ-HOCLYGCPSA-N 1 1 327.428 3.656 20 30 EHEDMO C#CCCCCCC[NH2+][C@H](c1nccn1C)c1ccc(F)c(F)c1 ZINC000898108890 1033335401 /nfs/dbraw/zinc/33/54/01/1033335401.db2.gz QIIGIJCKWVGJII-SFHVURJKSA-N 1 1 331.410 3.961 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000665956047 1033414619 /nfs/dbraw/zinc/41/46/19/1033414619.db2.gz JAPUGCFFDNWMJL-INIZCTEOSA-N 1 1 345.487 3.883 20 30 EHEDMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2C)c(C#N)c1C ZINC000128262888 1033420704 /nfs/dbraw/zinc/42/07/04/1033420704.db2.gz WWNRHLWNWYQNSK-SFHVURJKSA-N 1 1 337.423 3.852 20 30 EHEDMO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2C)c(C#N)c1C ZINC000128262888 1033420709 /nfs/dbraw/zinc/42/07/09/1033420709.db2.gz WWNRHLWNWYQNSK-SFHVURJKSA-N 1 1 337.423 3.852 20 30 EHEDMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000592784938 1033478476 /nfs/dbraw/zinc/47/84/76/1033478476.db2.gz BNXYJEWGPNFGAU-GCKMJXCFSA-N 1 1 347.462 3.743 20 30 EHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000594715827 1033501637 /nfs/dbraw/zinc/50/16/37/1033501637.db2.gz DFOASJRLTRNFLE-HNNXBMFYSA-N 1 1 329.400 3.534 20 30 EHEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000594715827 1033501646 /nfs/dbraw/zinc/50/16/46/1033501646.db2.gz DFOASJRLTRNFLE-HNNXBMFYSA-N 1 1 329.400 3.534 20 30 EHEDMO N#Cc1cccc(Cl)c1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000480591482 1033510511 /nfs/dbraw/zinc/51/05/11/1033510511.db2.gz UGWYAZYWBXSWBO-HDICACEKSA-N 1 1 337.854 3.780 20 30 EHEDMO C=C(C)C[NH+]1CCC(NCc2ccc(OC)c(OCC(C)C)c2)CC1 ZINC000106246195 1033560468 /nfs/dbraw/zinc/56/04/68/1033560468.db2.gz SSYHALKAGFHLJM-UHFFFAOYSA-N 1 1 346.515 3.860 20 30 EHEDMO CCC(C#N)(CC)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000598975725 1033622957 /nfs/dbraw/zinc/62/29/57/1033622957.db2.gz ZUSXQNDXDMIUSK-KRWDZBQOSA-N 1 1 347.890 3.923 20 30 EHEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ncc(Br)cc1F ZINC000598976490 1033623590 /nfs/dbraw/zinc/62/35/90/1033623590.db2.gz WIEAWDMAZJCEKR-HNNXBMFYSA-N 1 1 346.203 3.632 20 30 EHEDMO CC(C)CN(C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)C(C)C ZINC000063750395 1033670480 /nfs/dbraw/zinc/67/04/80/1033670480.db2.gz ALPGMPFTONXCSE-UHFFFAOYSA-N 1 1 329.488 3.662 20 30 EHEDMO Cc1ccc(-c2nnc([C@H](C)O[NH+]=C(N)C3CCCC3)o2)cc1C ZINC000176942293 1033693639 /nfs/dbraw/zinc/69/36/39/1033693639.db2.gz ARKDSULLLJMLLO-ZDUSSCGKSA-N 1 1 328.416 3.893 20 30 EHEDMO CC(C)CC[N@@H+](CCC#N)CC[C@H]1Sc2ccccc2NC1=O ZINC000595346883 1033735300 /nfs/dbraw/zinc/73/53/00/1033735300.db2.gz MXOJWHTWGQXABS-QGZVFWFLSA-N 1 1 331.485 3.751 20 30 EHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000574931670 1033757529 /nfs/dbraw/zinc/75/75/29/1033757529.db2.gz DBHFRAQWRGNYJB-UHFFFAOYSA-N 1 1 345.368 3.688 20 30 EHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000574931670 1033757541 /nfs/dbraw/zinc/75/75/41/1033757541.db2.gz DBHFRAQWRGNYJB-UHFFFAOYSA-N 1 1 345.368 3.688 20 30 EHEDMO N#Cc1ccc(CC[N@@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)cc1 ZINC000595430865 1033798553 /nfs/dbraw/zinc/79/85/53/1033798553.db2.gz PCWSLQPXSVCQBJ-GOSISDBHSA-N 1 1 348.368 3.526 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595435452 1033801378 /nfs/dbraw/zinc/80/13/78/1033801378.db2.gz FVQJSFJEMNFSOV-MOJGAOKDSA-N 1 1 347.506 3.847 20 30 EHEDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595447009 1033815310 /nfs/dbraw/zinc/81/53/10/1033815310.db2.gz ACGWKVYPQICFRU-LRDDRELGSA-N 1 1 326.362 3.560 20 30 EHEDMO Cc1cc(C)c(C#N)c(N2CCC[N@@H+](Cc3ccccc3C)CC2)n1 ZINC000603629024 1033815780 /nfs/dbraw/zinc/81/57/80/1033815780.db2.gz HQMNMPWTHSCDLP-UHFFFAOYSA-N 1 1 334.467 3.591 20 30 EHEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593020292 1033824640 /nfs/dbraw/zinc/82/46/40/1033824640.db2.gz FWMDBXSRHCJSPR-GXFFZTMASA-N 1 1 327.306 3.629 20 30 EHEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593020292 1033824650 /nfs/dbraw/zinc/82/46/50/1033824650.db2.gz FWMDBXSRHCJSPR-GXFFZTMASA-N 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CC(C)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000069057159 1124102885 /nfs/dbraw/zinc/10/28/85/1124102885.db2.gz IPHRFPFNUXOZCT-KRWDZBQOSA-N 1 1 341.499 3.973 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(F)cc2C(F)(F)F)no1 ZINC001212324927 1124665094 /nfs/dbraw/zinc/66/50/94/1124665094.db2.gz CNQBDPVUWFZUFV-LBPRGKRZSA-N 1 1 327.281 3.698 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2OC)no1 ZINC001212325310 1124665755 /nfs/dbraw/zinc/66/57/55/1124665755.db2.gz NJLKIJKCCXQWJN-LBPRGKRZSA-N 1 1 339.317 3.567 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)cc2F)no1 ZINC001212325480 1124669498 /nfs/dbraw/zinc/66/94/98/1124669498.db2.gz SAKDAMVIIPXZSE-LBPRGKRZSA-N 1 1 327.281 3.698 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(F)c(OC(F)(F)F)c2)no1 ZINC001212325484 1124669714 /nfs/dbraw/zinc/66/97/14/1124669714.db2.gz SBLVLTCELFZICG-NSHDSACASA-N 1 1 343.280 3.578 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(OC)c(C(F)(F)F)c2)no1 ZINC001212325584 1124670656 /nfs/dbraw/zinc/67/06/56/1124670656.db2.gz WDZNGLYAZWYVBL-LBPRGKRZSA-N 1 1 339.317 3.567 20 30 EHEDMO C[C@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000248857319 1124707829 /nfs/dbraw/zinc/70/78/29/1124707829.db2.gz PLUYIQHKEDYUHU-JKSUJKDBSA-N 1 1 342.487 3.730 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248862259 1124709612 /nfs/dbraw/zinc/70/96/12/1124709612.db2.gz PVHGEPLDNOCXLW-YZUZWNONSA-N 1 1 325.500 3.815 20 30 EHEDMO CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)c1cc2ccccc2o1 ZINC000250608206 1124822085 /nfs/dbraw/zinc/82/20/85/1124822085.db2.gz RKMOGOJDMHIXOY-FOIQADDNSA-N 1 1 341.455 3.870 20 30 EHEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]2CCCC[C@H]12 ZINC000182476651 1125312325 /nfs/dbraw/zinc/31/23/25/1125312325.db2.gz HHFDMEJFHVARLV-VMGRFDJRSA-N 1 1 331.847 3.661 20 30 EHEDMO COc1ccc2c(c1)CCC[N@H+](CCCC1(C#N)CCOCC1)C2 ZINC000619620208 1125374813 /nfs/dbraw/zinc/37/48/13/1125374813.db2.gz UFAZPSNYRQTHBH-UHFFFAOYSA-N 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1129356957 /nfs/dbraw/zinc/35/69/57/1129356957.db2.gz XILMLBNBKGIPLA-QUCCMNQESA-N 1 1 326.484 3.597 20 30 EHEDMO Cc1cccc([C@H]2CC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)c1 ZINC000543247436 1129371075 /nfs/dbraw/zinc/37/10/75/1129371075.db2.gz XUJYKYKEGUOUIP-IBGZPJMESA-N 1 1 344.418 3.906 20 30 EHEDMO N#Cc1cc(CNc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)cs1 ZINC000922334161 1129476385 /nfs/dbraw/zinc/47/63/85/1129476385.db2.gz DTZHEFAKBVSXRZ-SFHVURJKSA-N 1 1 338.480 3.516 20 30 EHEDMO CSc1ccc(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)cc1C#N ZINC000922339015 1129478645 /nfs/dbraw/zinc/47/86/45/1129478645.db2.gz TXFKNYCGPAMQSW-UHFFFAOYSA-N 1 1 332.860 3.824 20 30 EHEDMO COc1ccc(C#N)cc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000154164130 1129536378 /nfs/dbraw/zinc/53/63/78/1129536378.db2.gz KVLXUPOVSNWSGJ-FQEVSTJZSA-N 1 1 349.478 3.521 20 30 EHEDMO C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)Cc1cnccn1 ZINC000092591506 1129552965 /nfs/dbraw/zinc/55/29/65/1129552965.db2.gz TVTBHMYPWCNXLF-UHFFFAOYSA-N 1 1 344.418 3.559 20 30 EHEDMO C[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)Cc1cnccn1 ZINC000092591506 1129552969 /nfs/dbraw/zinc/55/29/69/1129552969.db2.gz TVTBHMYPWCNXLF-UHFFFAOYSA-N 1 1 344.418 3.559 20 30 EHEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000276271801 1129573832 /nfs/dbraw/zinc/57/38/32/1129573832.db2.gz QHKBIDHREPCCTC-AWEZNQCLSA-N 1 1 339.361 3.550 20 30 EHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168729264 1129587779 /nfs/dbraw/zinc/58/77/79/1129587779.db2.gz AHAOLEQWLPEOMA-ABSDTBQOSA-N 1 1 347.886 3.633 20 30 EHEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)CNc3ccc(C#N)cc3)c2C1 ZINC000154862543 1129594408 /nfs/dbraw/zinc/59/44/08/1129594408.db2.gz OHGBBBOKROIGGS-UHFFFAOYSA-N 1 1 348.450 3.580 20 30 EHEDMO N#Cc1c(F)cccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000428942791 1129624780 /nfs/dbraw/zinc/62/47/80/1129624780.db2.gz OIDMNNMJRJSKIY-SFHLNBCPSA-N 1 1 336.410 3.702 20 30 EHEDMO N#Cc1cnc2ccccc2c1N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000330313583 1129633866 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C=CCC(CC=C)C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000675159119 1130271198 /nfs/dbraw/zinc/27/11/98/1130271198.db2.gz CNCZYEYLFZFRHZ-SFHVURJKSA-N 1 1 326.484 3.878 20 30 EHEDMO N#Cc1cccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000245689530 1130287716 /nfs/dbraw/zinc/28/77/16/1130287716.db2.gz KCSOOIAFFVKREO-DKUWSORSSA-N 1 1 331.463 3.843 20 30 EHEDMO N#Cc1cccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245689530 1130287721 /nfs/dbraw/zinc/28/77/21/1130287721.db2.gz KCSOOIAFFVKREO-DKUWSORSSA-N 1 1 331.463 3.843 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000245929062 1130332140 /nfs/dbraw/zinc/33/21/40/1130332140.db2.gz IQIHQOIOPURSCW-DLBZAZTESA-N 1 1 342.464 3.716 20 30 EHEDMO C=CCOc1ccc(C[N@H+](CCn2ccccc2=O)C(C)(C)C)cc1 ZINC000675550100 1130425973 /nfs/dbraw/zinc/42/59/73/1130425973.db2.gz ILSHHRMXOQQGAS-UHFFFAOYSA-N 1 1 340.467 3.714 20 30 EHEDMO C=CC[N@H+](C[C@@H](O)c1cc(OC)ccc1OC)CC1CCCCC1 ZINC000732667592 1130946383 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COC(=O)c1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000347999874 1131123954 /nfs/dbraw/zinc/12/39/54/1131123954.db2.gz ZCIFUWCMBMPDIH-UHFFFAOYSA-N 1 1 338.432 3.696 20 30 EHEDMO C=CCOCCC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)CC ZINC000348047838 1131137164 /nfs/dbraw/zinc/13/71/64/1131137164.db2.gz GAENOWGVQYUASI-OAHLLOKOSA-N 1 1 329.444 3.529 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@H](n3ccnc3)C2)c1O ZINC000738159098 1131462779 /nfs/dbraw/zinc/46/27/79/1131462779.db2.gz RBXYZLDDNCZMRT-SFHVURJKSA-N 1 1 341.455 3.553 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@@H]2CN2CCCC2)c1O ZINC000738103980 1131463218 /nfs/dbraw/zinc/46/32/18/1131463218.db2.gz IVPBYZNFIIOXGA-LJQANCHMSA-N 1 1 344.499 3.580 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@@H]2CN2CCCC2)c1O ZINC000738103980 1131463220 /nfs/dbraw/zinc/46/32/20/1131463220.db2.gz IVPBYZNFIIOXGA-LJQANCHMSA-N 1 1 344.499 3.580 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741155590 1131580970 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C#Cc1cccc(NC(=O)C[N@H+](C)CCc2c(F)cccc2Cl)c1 ZINC000742588601 1131755186 /nfs/dbraw/zinc/75/51/86/1131755186.db2.gz VSUVAANINTVSQM-UHFFFAOYSA-N 1 1 344.817 3.573 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCc2c(F)cccc2Cl)c1 ZINC000742588601 1131755194 /nfs/dbraw/zinc/75/51/94/1131755194.db2.gz VSUVAANINTVSQM-UHFFFAOYSA-N 1 1 344.817 3.573 20 30 EHEDMO C[C@@H](CCCC#N)[N@H+]1CCC2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC001172495878 1131759000 /nfs/dbraw/zinc/75/90/00/1131759000.db2.gz VPEYEAQUENRIRW-INIZCTEOSA-N 1 1 345.512 3.759 20 30 EHEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001172495241 1131759012 /nfs/dbraw/zinc/75/90/12/1131759012.db2.gz CKLIPYIDQCPANO-QFBILLFUSA-N 1 1 335.492 3.792 20 30 EHEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](C1CC(C)(C)OC(C)(C)C1)CC2 ZINC001172656732 1131802987 /nfs/dbraw/zinc/80/29/87/1131802987.db2.gz MWGCUDDLNYYQRJ-OAQYLSRUSA-N 1 1 348.531 3.756 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172681446 1131817487 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AGTYVKFDYHPEDD-ZACQAIPSSA-N 1 1 335.492 3.933 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCC3(CCCC3)C2)C[C@H]1C#N ZINC001172986700 1131926171 /nfs/dbraw/zinc/92/61/71/1131926171.db2.gz YRCVWEVLMINQPZ-CVEARBPZSA-N 1 1 333.476 3.544 20 30 EHEDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)CN1C(=O)OC(C)(C)C ZINC001173077420 1131957357 /nfs/dbraw/zinc/95/73/57/1131957357.db2.gz QQQOCVBRLLCKRZ-MAUKXSAKSA-N 1 1 343.471 3.778 20 30 EHEDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cc(Cl)ccc1OCC#N ZINC000743855213 1131989043 /nfs/dbraw/zinc/98/90/43/1131989043.db2.gz GMDAEMXDUWHPOG-KRWDZBQOSA-N 1 1 335.879 3.549 20 30 EHEDMO CC[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)C1 ZINC001173280760 1132040671 /nfs/dbraw/zinc/04/06/71/1132040671.db2.gz QEULFVBVAXHLEJ-HGHGUNKESA-N 1 1 337.467 3.566 20 30 EHEDMO C=CCOC1CCC([N@@H+]2CCn3cc(-c4ccccc4)nc3C2)CC1 ZINC001173323216 1132046462 /nfs/dbraw/zinc/04/64/62/1132046462.db2.gz TVXYHZUDPWPXBH-UHFFFAOYSA-N 1 1 337.467 3.880 20 30 EHEDMO C=CCOC1CCC([N@H+]2CCn3cc(-c4ccccc4)nc3C2)CC1 ZINC001173323216 1132046469 /nfs/dbraw/zinc/04/64/69/1132046469.db2.gz TVXYHZUDPWPXBH-UHFFFAOYSA-N 1 1 337.467 3.880 20 30 EHEDMO C=CCOC1CCC([N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001173326756 1132048534 /nfs/dbraw/zinc/04/85/34/1132048534.db2.gz PQWJOBXKTXPCJO-GRERDSQWSA-N 1 1 340.467 3.915 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1C1CCC(CC#N)CC1 ZINC001173331506 1132049410 /nfs/dbraw/zinc/04/94/10/1132049410.db2.gz OYCKOGYHRZVPII-OFLPRAFFSA-N 1 1 335.492 3.838 20 30 EHEDMO CC[N@H+]1CC[C@@H](N(Cc2ccc(C#N)cc2)Cc2ccc(C#N)cc2)C1 ZINC001173367473 1132063296 /nfs/dbraw/zinc/06/32/96/1132063296.db2.gz HBZNVXDQCOFYEL-JOCHJYFZSA-N 1 1 344.462 3.526 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[N@@H+](C2CCC(C)(C#N)CC2)C2(CC2)C1 ZINC001173593828 1132098161 /nfs/dbraw/zinc/09/81/61/1132098161.db2.gz OKBJDXHDYZNPQD-UHFFFAOYSA-N 1 1 333.476 3.544 20 30 EHEDMO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173596592 1132099221 /nfs/dbraw/zinc/09/92/21/1132099221.db2.gz ADCJPWNOEJRXJA-RXDZZFBJSA-N 1 1 335.492 3.836 20 30 EHEDMO CC1(C#N)CCC([N@H+]2CCc3ncc(Br)cc3C2)CC1 ZINC001173599139 1132100532 /nfs/dbraw/zinc/10/05/32/1132100532.db2.gz GEHLDNOZGFKBKF-UHFFFAOYSA-N 1 1 334.261 3.675 20 30 EHEDMO CCCCCCCCOC(=O)C[NH2+][C@@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173634174 1132111376 /nfs/dbraw/zinc/11/13/76/1132111376.db2.gz FRQGEXDCIRJHKF-IAGOWNOFSA-N 1 1 341.492 3.602 20 30 EHEDMO C[NH+]1CCN(N=Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000744539110 1132119614 /nfs/dbraw/zinc/11/96/14/1132119614.db2.gz AYUOHEFOXUKAGN-UHFFFAOYSA-N 1 1 343.858 3.500 20 30 EHEDMO C[C@H](c1ccco1)[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000746124257 1132379196 /nfs/dbraw/zinc/37/91/96/1132379196.db2.gz DYXRZDVPVTWBIN-UKRRQHHQSA-N 1 1 346.390 3.510 20 30 EHEDMO C[C@H](c1ccco1)[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000746124257 1132379205 /nfs/dbraw/zinc/37/92/05/1132379205.db2.gz DYXRZDVPVTWBIN-UKRRQHHQSA-N 1 1 346.390 3.510 20 30 EHEDMO C[N@H+]1CCc2c(C#N)c(Nc3cccc(-c4cc[nH]n4)c3)sc2C1 ZINC001174506435 1132392746 /nfs/dbraw/zinc/39/27/46/1132392746.db2.gz NOEDIEQCQMHUTD-UHFFFAOYSA-N 1 1 335.436 3.741 20 30 EHEDMO N#Cc1cc2cccnc2[nH]c1=NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175505016 1132692228 /nfs/dbraw/zinc/69/22/28/1132692228.db2.gz JKUXHOGAUBNOBN-UHFFFAOYSA-N 1 1 341.418 3.703 20 30 EHEDMO N#Cc1cc2cccnc2nc1N=C1CC[NH+](Cc2ccccc2)CC1 ZINC001175505016 1132692234 /nfs/dbraw/zinc/69/22/34/1132692234.db2.gz JKUXHOGAUBNOBN-UHFFFAOYSA-N 1 1 341.418 3.703 20 30 EHEDMO N#Cc1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)cc1Cl ZINC001175858048 1132785792 /nfs/dbraw/zinc/78/57/92/1132785792.db2.gz OHYCUAPKDYEIAJ-UHFFFAOYSA-N 1 1 327.815 3.787 20 30 EHEDMO CCC#C[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001176226095 1132879408 /nfs/dbraw/zinc/87/94/08/1132879408.db2.gz ADNQUOSYTRLBEI-IHRRRGAJSA-N 1 1 348.409 3.566 20 30 EHEDMO CCC#C[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001176226095 1132879413 /nfs/dbraw/zinc/87/94/13/1132879413.db2.gz ADNQUOSYTRLBEI-IHRRRGAJSA-N 1 1 348.409 3.566 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)[C@H](C)C2)cc1C ZINC000766988215 1132921265 /nfs/dbraw/zinc/92/12/65/1132921265.db2.gz LMPAENNHCLPLED-SJLPKXTDSA-N 1 1 327.472 3.528 20 30 EHEDMO C=C(C)C[C@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000767072097 1132941591 /nfs/dbraw/zinc/94/15/91/1132941591.db2.gz QJNINCJXJUMUGF-AWEZNQCLSA-N 1 1 335.879 3.633 20 30 EHEDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C[C@H]1n1ccnc1 ZINC000767435737 1133001445 /nfs/dbraw/zinc/00/14/45/1133001445.db2.gz VYYSZPRYJSRFKN-RHSMWYFYSA-N 1 1 344.846 3.522 20 30 EHEDMO C#CC[N@@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)C1CCCCC1 ZINC000767887971 1133063931 /nfs/dbraw/zinc/06/39/31/1133063931.db2.gz DEGURKPEVJIQMT-UHFFFAOYSA-N 1 1 349.356 3.922 20 30 EHEDMO C#CC[N@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)C1CCCCC1 ZINC000767887971 1133063938 /nfs/dbraw/zinc/06/39/38/1133063938.db2.gz DEGURKPEVJIQMT-UHFFFAOYSA-N 1 1 349.356 3.922 20 30 EHEDMO C=CCc1cc(C[N@H+](C)Cc2ccc(OC)c(F)c2)cc(OC)c1O ZINC000768200405 1133107025 /nfs/dbraw/zinc/10/70/25/1133107025.db2.gz NSZLXGNMVFAKEY-UHFFFAOYSA-N 1 1 345.414 3.909 20 30 EHEDMO C#CCCOc1ccc(C[N@@H+](CCOC)Cc2cccs2)cc1 ZINC000768196667 1133112612 /nfs/dbraw/zinc/11/26/12/1133112612.db2.gz FFXSVWJISZBFMF-UHFFFAOYSA-N 1 1 329.465 3.799 20 30 EHEDMO Clc1cncc(N=NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000768361512 1133129435 /nfs/dbraw/zinc/12/94/35/1133129435.db2.gz RQOXEBSXYPCOTM-IYBDPMFKSA-N 1 1 341.846 3.725 20 30 EHEDMO CC(C)n1ncc2cc(C[NH2+]Cc3ccc(C#N)s3)c(Cl)nc21 ZINC001178981444 1133214482 /nfs/dbraw/zinc/21/44/82/1133214482.db2.gz JREWOMAHKQZVBK-UHFFFAOYSA-N 1 1 345.859 3.889 20 30 EHEDMO COc1ccc(C[NH2+]Cc2nc3ccccc3n2C(C)C)cc1C#N ZINC001179447505 1133252120 /nfs/dbraw/zinc/25/21/20/1133252120.db2.gz IYCINQCRYFVTPT-UHFFFAOYSA-N 1 1 334.423 3.787 20 30 EHEDMO CSc1ccc(C[NH2+]Cc2c(Cl)nc3ccccn32)cc1C#N ZINC001179583468 1133266057 /nfs/dbraw/zinc/26/60/57/1133266057.db2.gz GMIQJMNQSMOLJY-UHFFFAOYSA-N 1 1 342.855 3.871 20 30 EHEDMO C#CCOc1ccc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1 ZINC000769514713 1133307529 /nfs/dbraw/zinc/30/75/29/1133307529.db2.gz NNPJHEZTYHRKRO-KXBFYZLASA-N 1 1 327.449 3.722 20 30 EHEDMO C#CCOc1ccc(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1 ZINC000769514713 1133307533 /nfs/dbraw/zinc/30/75/33/1133307533.db2.gz NNPJHEZTYHRKRO-KXBFYZLASA-N 1 1 327.449 3.722 20 30 EHEDMO C[C@@H]1CCOCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000769786647 1133345775 /nfs/dbraw/zinc/34/57/75/1133345775.db2.gz LWXMUMNGZKQRIM-LJQANCHMSA-N 1 1 334.463 3.997 20 30 EHEDMO CCNc1ccccc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001180363679 1133366331 /nfs/dbraw/zinc/36/63/31/1133366331.db2.gz CRXFHPBJKGBWCO-UHFFFAOYSA-N 1 1 348.494 3.698 20 30 EHEDMO CCNc1ccccc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001180363679 1133366336 /nfs/dbraw/zinc/36/63/36/1133366336.db2.gz CRXFHPBJKGBWCO-UHFFFAOYSA-N 1 1 348.494 3.698 20 30 EHEDMO CCNc1ccccc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001180363679 1133366341 /nfs/dbraw/zinc/36/63/41/1133366341.db2.gz CRXFHPBJKGBWCO-UHFFFAOYSA-N 1 1 348.494 3.698 20 30 EHEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000770349875 1133419165 /nfs/dbraw/zinc/41/91/65/1133419165.db2.gz NWXVISNRMWGQRL-HTAPYJJXSA-N 1 1 349.478 3.860 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1ccc2c(C#N)c[nH]c2c1)Cc1ccccc1 ZINC001181140413 1133458801 /nfs/dbraw/zinc/45/88/01/1133458801.db2.gz LGOLSIJQMYTTKT-UHFFFAOYSA-N 1 1 332.407 3.500 20 30 EHEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](Cc1ccccc1)c1ccccc1 ZINC001181828679 1133537773 /nfs/dbraw/zinc/53/77/73/1133537773.db2.gz SHFIDNIZLHLVCC-VXKWHMMOSA-N 1 1 348.490 3.780 20 30 EHEDMO CCCC[N@@H+](CC)[C@H](C(=O)N1CCCC[C@H]1C#N)c1ccccc1 ZINC001182232767 1133594134 /nfs/dbraw/zinc/59/41/34/1133594134.db2.gz FCJVGCOIIJHMJL-OALUTQOASA-N 1 1 327.472 3.754 20 30 EHEDMO C[N@H+](Cc1ccccc1)[C@H](C(=O)Nc1[nH]ccc1C#N)c1ccccc1 ZINC001182237760 1133604857 /nfs/dbraw/zinc/60/48/57/1133604857.db2.gz QEZJCLNIICANCD-IBGZPJMESA-N 1 1 344.418 3.698 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@H](C(=O)Nc1[nH]ccc1C#N)c1ccccc1 ZINC001182237760 1133604859 /nfs/dbraw/zinc/60/48/59/1133604859.db2.gz QEZJCLNIICANCD-IBGZPJMESA-N 1 1 344.418 3.698 20 30 EHEDMO C#CC1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)Cc2ccccc2)CC1 ZINC001182242163 1133606799 /nfs/dbraw/zinc/60/67/99/1133606799.db2.gz WKVYANOUNVPHMK-JOCHJYFZSA-N 1 1 346.474 3.732 20 30 EHEDMO C#CC1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)Cc2ccccc2)CC1 ZINC001182242163 1133606802 /nfs/dbraw/zinc/60/68/02/1133606802.db2.gz WKVYANOUNVPHMK-JOCHJYFZSA-N 1 1 346.474 3.732 20 30 EHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccc(Cl)cc1 ZINC000772174511 1133654927 /nfs/dbraw/zinc/65/49/27/1133654927.db2.gz IRLWPTBGYFRNAQ-SFHVURJKSA-N 1 1 346.814 3.970 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2nc3ccccc3cc2C#N)C1 ZINC000774520041 1133703808 /nfs/dbraw/zinc/70/38/08/1133703808.db2.gz YMYVFLXGCDJEGW-FCEWJHQRSA-N 1 1 334.467 3.948 20 30 EHEDMO N#CC1(c2ccccc2)CC(NC[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001183379058 1133801964 /nfs/dbraw/zinc/80/19/64/1133801964.db2.gz ISDHWMONHPHKTL-NJEKYYFSSA-N 1 1 337.511 3.997 20 30 EHEDMO N#CC1(c2ccccc2)CC([NH2+]C[C@H]2CCN2C2CCCCCC2)C1 ZINC001183379058 1133801967 /nfs/dbraw/zinc/80/19/67/1133801967.db2.gz ISDHWMONHPHKTL-NJEKYYFSSA-N 1 1 337.511 3.997 20 30 EHEDMO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1(C)CCCC1 ZINC000786218432 1133821079 /nfs/dbraw/zinc/82/10/79/1133821079.db2.gz PMPXMYQXFBDOBA-CYBMUJFWSA-N 1 1 327.453 3.737 20 30 EHEDMO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1(C)CCCC1 ZINC000786218432 1133821083 /nfs/dbraw/zinc/82/10/83/1133821083.db2.gz PMPXMYQXFBDOBA-CYBMUJFWSA-N 1 1 327.453 3.737 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)cc1 ZINC001183802950 1133860931 /nfs/dbraw/zinc/86/09/31/1133860931.db2.gz YMZATXVWAWVQOV-JTHBVZDNSA-N 1 1 346.474 3.888 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1F ZINC000774702832 1133883551 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CCN(C)c1ccc(C=[NH+]NCc2ccc(C(F)(F)F)cc2)cn1 ZINC000790156856 1134376644 /nfs/dbraw/zinc/37/66/44/1134376644.db2.gz GKNRUDAMKXTGGB-UHFFFAOYSA-N 1 1 336.361 3.680 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N2CCn3c(C)[nH+]cc3C2)c1 ZINC001189259137 1134563344 /nfs/dbraw/zinc/56/33/44/1134563344.db2.gz OMZNILJLXBTTNV-UHFFFAOYSA-N 1 1 338.455 3.685 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC001189263709 1134563905 /nfs/dbraw/zinc/56/39/05/1134563905.db2.gz LJLNVNJXTMKNCY-HKUYNNGSSA-N 1 1 341.499 3.690 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)NCC[C@H]2CCC[N@@H+]2C)c1 ZINC001189276696 1134567113 /nfs/dbraw/zinc/56/71/13/1134567113.db2.gz WTWVEULVLWFAMX-GOSISDBHSA-N 1 1 329.488 3.738 20 30 EHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000791569070 1134569080 /nfs/dbraw/zinc/56/90/80/1134569080.db2.gz RNUGHWSIJJRLLE-IBGZPJMESA-N 1 1 326.396 3.707 20 30 EHEDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cccc(C#N)c2)c1O ZINC000775335879 1134634650 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CCCCCCCNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001191096853 1134802044 /nfs/dbraw/zinc/80/20/44/1134802044.db2.gz BLNNTFUNFQVCKN-WOJBJXKFSA-N 1 1 343.515 3.873 20 30 EHEDMO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2cccnc2F)c1 ZINC000793286558 1134894738 /nfs/dbraw/zinc/89/47/38/1134894738.db2.gz YZMFKXWNOSHVLW-UHFFFAOYSA-N 1 1 347.393 3.961 20 30 EHEDMO Brc1cccn2c(NCC#Cc3ccccc3)c[nH+]c12 ZINC001170430171 1134908296 /nfs/dbraw/zinc/90/82/96/1134908296.db2.gz YNLZQOHWQXZDSS-UHFFFAOYSA-N 1 1 326.197 3.560 20 30 EHEDMO C#CCCCCCC[N@H+]1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC001192052245 1134961448 /nfs/dbraw/zinc/96/14/48/1134961448.db2.gz DEGKIWSJEOWFCZ-UHFFFAOYSA-N 1 1 345.483 3.697 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCOC[C@H](C3CCC3)C2)c1O ZINC000793742002 1134988042 /nfs/dbraw/zinc/98/80/42/1134988042.db2.gz LBERITDEKKFAJO-LJQANCHMSA-N 1 1 345.483 3.768 20 30 EHEDMO Cc1cc(C#N)cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001129684866 1135135228 /nfs/dbraw/zinc/13/52/28/1135135228.db2.gz HZYGLTPGDIZOII-IBGZPJMESA-N 1 1 333.435 3.717 20 30 EHEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC12CCCCC2 ZINC001193637189 1135163154 /nfs/dbraw/zinc/16/31/54/1135163154.db2.gz RTIHYTHWKRLGOS-MRXNPFEDSA-N 1 1 325.456 3.789 20 30 EHEDMO C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)CC12CCCCC2 ZINC001193637420 1135163296 /nfs/dbraw/zinc/16/32/96/1135163296.db2.gz WPLHUDIHGFUQHO-PKOBYXMFSA-N 1 1 342.483 3.590 20 30 EHEDMO C=CCN(C)CC[N@H+](CC)Cc1cc(Br)ccc1C ZINC001193913351 1135204429 /nfs/dbraw/zinc/20/44/29/1135204429.db2.gz JQANPOZGXTVPPN-UHFFFAOYSA-N 1 1 325.294 3.697 20 30 EHEDMO C=CC[N@@H+](C)CCN(CC)Cc1cc(Br)ccc1C ZINC001193913351 1135204435 /nfs/dbraw/zinc/20/44/35/1135204435.db2.gz JQANPOZGXTVPPN-UHFFFAOYSA-N 1 1 325.294 3.697 20 30 EHEDMO C=CC[N@H+](C)CCN(CC)Cc1cc(Br)ccc1C ZINC001193913351 1135204439 /nfs/dbraw/zinc/20/44/39/1135204439.db2.gz JQANPOZGXTVPPN-UHFFFAOYSA-N 1 1 325.294 3.697 20 30 EHEDMO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001170501692 1135408320 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N#C[C@H]1CC[C@@H](COC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000809085577 1135775979 /nfs/dbraw/zinc/77/59/79/1135775979.db2.gz FOEHURNAPHCLQJ-NZSAHSFTSA-N 1 1 326.440 3.524 20 30 EHEDMO N#C[C@H]1CC[C@@H](COC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000809085577 1135775982 /nfs/dbraw/zinc/77/59/82/1135775982.db2.gz FOEHURNAPHCLQJ-NZSAHSFTSA-N 1 1 326.440 3.524 20 30 EHEDMO CC[NH+](CC)[C@H](C(=O)OC[C@H]1CC[C@@H](C#N)CC1)c1ccccc1 ZINC000809087994 1135776023 /nfs/dbraw/zinc/77/60/23/1135776023.db2.gz RMRKWDXZVHUZPZ-SCTDSRPQSA-N 1 1 328.456 3.943 20 30 EHEDMO C#CCCCCC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC000775821698 1135778715 /nfs/dbraw/zinc/77/87/15/1135778715.db2.gz GFFHDHVPEVAFEE-FQEVSTJZSA-N 1 1 326.484 3.693 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C/C=C/c2ccc(F)c(F)c2)c1 ZINC000809550556 1135855413 /nfs/dbraw/zinc/85/54/13/1135855413.db2.gz TZHXPTPPXXGCNW-FNORWQNLSA-N 1 1 340.373 3.530 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)C/C=C/c2ccc(F)c(F)c2)c1 ZINC000809550556 1135855417 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C#CCCOc1ccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000809758193 1135888071 /nfs/dbraw/zinc/88/80/71/1135888071.db2.gz GGJYASOOWIFPGP-PMACEKPBSA-N 1 1 327.468 3.727 20 30 EHEDMO C[C@H]1C[C@@H](C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC[N@H+]1C ZINC000810017528 1135914479 /nfs/dbraw/zinc/91/44/79/1135914479.db2.gz AZHYPAQMRNFVMP-PXNSSMCTSA-N 1 1 332.447 3.755 20 30 EHEDMO Cc1ccnc(C#N)c1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201475680 1136032199 /nfs/dbraw/zinc/03/21/99/1136032199.db2.gz XXWMFNJOUDAEKX-MOPGFXCFSA-N 1 1 330.435 3.994 20 30 EHEDMO C=CCOC[C@H]1C[N@H+](CCCCCCC)Cc2nnn(CC3CC3)c21 ZINC001201762316 1136060775 /nfs/dbraw/zinc/06/07/75/1136060775.db2.gz FQXVPCRRSNEDRG-GOSISDBHSA-N 1 1 346.519 3.760 20 30 EHEDMO CCCCCCC[N@H+]1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 ZINC001201776573 1136065874 /nfs/dbraw/zinc/06/58/74/1136065874.db2.gz FSKHYVJWPHHXGM-WOJBJXKFSA-N 1 1 332.488 3.517 20 30 EHEDMO CCCCCCCC[N@H+]1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001201826098 1136067773 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CCC[N@@H+](CC)C[C@H](C)NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000811722274 1136131086 /nfs/dbraw/zinc/13/10/86/1136131086.db2.gz ZJZHXDJCWBBXBC-LBPRGKRZSA-N 1 1 338.908 3.618 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000747792487 1136218694 /nfs/dbraw/zinc/21/86/94/1136218694.db2.gz SOWRNVBZCLVRDJ-TZIWHRDSSA-N 1 1 336.435 3.655 20 30 EHEDMO N#CC[C@@H](CC(=O)OC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000851469016 1136381917 /nfs/dbraw/zinc/38/19/17/1136381917.db2.gz QVVLPUMGGOSDPN-LEWJYISDSA-N 1 1 348.446 3.892 20 30 EHEDMO C#C[C@](C)(CC)[NH2+][C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000852098182 1136433019 /nfs/dbraw/zinc/43/30/19/1136433019.db2.gz HDJPSCPZYLIGTG-AVCJSFLBSA-N 1 1 343.496 3.974 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000852220119 1136441220 /nfs/dbraw/zinc/44/12/20/1136441220.db2.gz IMTQOWZWTFOFIV-LNLFQRSKSA-N 1 1 325.456 3.505 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852526925 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EHEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@@](O)(c4ccccc4)C3)cc2)CC1 ZINC000862482729 1137146437 /nfs/dbraw/zinc/14/64/37/1137146437.db2.gz LDPJWTGLVUETPM-QFIPXVFZSA-N 1 1 332.447 3.725 20 30 EHEDMO C=CC[N@H+](Cc1[nH]c(C)c(CCC(=O)OC)c1C)Cc1ccccc1 ZINC001136921282 1137147862 /nfs/dbraw/zinc/14/78/62/1137147862.db2.gz YLGRGRQPDPJIMD-UHFFFAOYSA-N 1 1 340.467 3.925 20 30 EHEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(F)c2ccccc12 ZINC001171069810 1137154954 /nfs/dbraw/zinc/15/49/54/1137154954.db2.gz PFIFENDISGWMGY-KRWDZBQOSA-N 1 1 330.403 3.618 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000119257317 1137169746 /nfs/dbraw/zinc/16/97/46/1137169746.db2.gz UXNNUQJTWHRPPX-UHFFFAOYSA-N 1 1 349.478 3.807 20 30 EHEDMO CC(C)(C)OC(=O)Nc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)ccn1 ZINC001143692888 1137189651 /nfs/dbraw/zinc/18/96/51/1137189651.db2.gz HAIVDRXBTLCNRV-CQSZACIVSA-N 1 1 330.432 3.554 20 30 EHEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(F)cc(F)c1C)C2 ZINC001143764153 1137196625 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3.959 20 30 EHEDMO C=CC[NH+]1CCN([C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171163528 1137275118 /nfs/dbraw/zinc/27/51/18/1137275118.db2.gz NKTXNIVEEDFZEM-HNNXBMFYSA-N 1 1 325.283 3.654 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC001171179283 1137290657 /nfs/dbraw/zinc/29/06/57/1137290657.db2.gz QNAKTFIZXOLKOH-WMZHIEFXSA-N 1 1 347.506 3.991 20 30 EHEDMO C[NH+](C)C=Cc1ccncc1NC(=N)c1ccc2cc(O)ccc2c1 ZINC001171186953 1137294924 /nfs/dbraw/zinc/29/49/24/1137294924.db2.gz WQTMFBGZSDWKCA-CSKARUKUSA-N 1 1 332.407 3.510 20 30 EHEDMO CC(C)([NH2+]Cc1cccnc1Br)c1cccc(C#N)c1 ZINC000865622678 1137299657 /nfs/dbraw/zinc/29/96/57/1137299657.db2.gz BJUGHLVNNHBDAM-UHFFFAOYSA-N 1 1 330.229 3.741 20 30 EHEDMO C#CCCOc1ccc(CN[C@@H](CC(C)C)C[NH+]2CCCC2)cc1 ZINC001202519371 1137305253 /nfs/dbraw/zinc/30/52/53/1137305253.db2.gz HDHFXALOIRUZAI-FQEVSTJZSA-N 1 1 328.500 3.689 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2sccc2CC#N)C1 ZINC000865861088 1137317255 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EHEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180558613 1139845010 /nfs/dbraw/zinc/84/50/10/1139845010.db2.gz VLNMZRNAWWRTDS-OAHLLOKOSA-N 1 1 346.368 3.833 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2F)c(C#N)c1C ZINC000181995462 1139944000 /nfs/dbraw/zinc/94/40/00/1139944000.db2.gz YQNQDCOBIMSMJA-WDEREUQCSA-N 1 1 347.365 3.724 20 30 EHEDMO CN(CCC#N)c1ccc(CNc2[nH+]c3cc(F)ccc3n2C)cc1 ZINC000184253852 1140090216 /nfs/dbraw/zinc/09/02/16/1140090216.db2.gz LPSISTQRGHNAQU-UHFFFAOYSA-N 1 1 337.402 3.674 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000187032063 1140233994 /nfs/dbraw/zinc/23/39/94/1140233994.db2.gz RUSKZDLCYPUQFS-LPHOPBHVSA-N 1 1 349.482 3.817 20 30 EHEDMO COc1cc2c(cc1F)C[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)CC2 ZINC000777439972 1140279426 /nfs/dbraw/zinc/27/94/26/1140279426.db2.gz ATOCGGKJVWJREI-CQSZACIVSA-N 1 1 340.398 3.683 20 30 EHEDMO COc1cc2c(cc1F)C[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)CC2 ZINC000777439972 1140279429 /nfs/dbraw/zinc/27/94/29/1140279429.db2.gz ATOCGGKJVWJREI-CQSZACIVSA-N 1 1 340.398 3.683 20 30 EHEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000266939596 1140741145 /nfs/dbraw/zinc/74/11/45/1140741145.db2.gz QTUYYDDSHJKTPT-SNVBAGLBSA-N 1 1 332.753 3.641 20 30 EHEDMO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000266939596 1140741148 /nfs/dbraw/zinc/74/11/48/1140741148.db2.gz QTUYYDDSHJKTPT-SNVBAGLBSA-N 1 1 332.753 3.641 20 30 EHEDMO CC[N@@H+](C)C[C@@H]1CCN(c2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000267245547 1140771189 /nfs/dbraw/zinc/77/11/89/1140771189.db2.gz NHDBVAQNKADUHN-ZDUSSCGKSA-N 1 1 328.847 3.538 20 30 EHEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc(CC)[nH]2)cc1 ZINC000271426670 1141363699 /nfs/dbraw/zinc/36/36/99/1141363699.db2.gz CPHBYASHQGIVMY-OLZOCXBDSA-N 1 1 334.851 3.910 20 30 EHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cc1 ZINC000271453654 1141371294 /nfs/dbraw/zinc/37/12/94/1141371294.db2.gz XQQMFIQLSWABMV-GOSISDBHSA-N 1 1 346.434 3.603 20 30 EHEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000348641467 1141560739 /nfs/dbraw/zinc/56/07/39/1141560739.db2.gz JNBKRWXGXHDTQW-MJGOQNOKSA-N 1 1 330.472 3.885 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCC=C(c3ccncc3)C2)cc1OC ZINC000348839011 1141592627 /nfs/dbraw/zinc/59/26/27/1141592627.db2.gz SRNTVGKYJFSCLJ-UHFFFAOYSA-N 1 1 336.435 3.944 20 30 EHEDMO N#Cc1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000078478734 201186339 /nfs/dbraw/zinc/18/63/39/201186339.db2.gz DAARGRDCMGJLJS-INIZCTEOSA-N 1 1 337.398 3.548 20 30 EHEDMO C=CC[NH+]1CCN(c2ccc(-c3cccc4ccccc43)nn2)CC1 ZINC001165034037 721871913 /nfs/dbraw/zinc/87/19/13/721871913.db2.gz DBKNUWZHRPOKBI-UHFFFAOYSA-N 1 1 330.435 3.605 20 30 EHEDMO C=CC[NH+]1CCN(c2c(C#N)c(Cl)nc3cccc(Cl)c32)CC1 ZINC001165034045 721874069 /nfs/dbraw/zinc/87/40/69/721874069.db2.gz DIEUIAGXSKCISU-UHFFFAOYSA-N 1 1 347.249 3.721 20 30 EHEDMO C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654727092 1014256098 /nfs/dbraw/zinc/25/60/98/1014256098.db2.gz FSXKBIMGIYMOFR-RTBURBONSA-N 1 1 345.462 3.540 20 30 EHEDMO COc1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c(OC)c1 ZINC000536666075 1032089125 /nfs/dbraw/zinc/08/91/25/1032089125.db2.gz DJYXWJRKQVWXGZ-UXHICEINSA-N 1 1 336.435 3.976 20 30 EHEDMO COc1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c(OC)c1 ZINC000536666075 1032089143 /nfs/dbraw/zinc/08/91/43/1032089143.db2.gz DJYXWJRKQVWXGZ-UXHICEINSA-N 1 1 336.435 3.976 20 30 EHEDMO C[C@H]1C[C@H]1[N@H+]1CCN(Cc2cccc(OCCCC#N)c2)C[C@@H](C)C1 ZINC000430140962 1014299468 /nfs/dbraw/zinc/29/94/68/1014299468.db2.gz VWVCJJPIKIFLPZ-LVCYWYKZSA-N 1 1 341.499 3.531 20 30 EHEDMO CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000538000945 1032091010 /nfs/dbraw/zinc/09/10/10/1032091010.db2.gz SCTOVTHQYASWGL-NRFANRHFSA-N 1 1 347.462 3.716 20 30 EHEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(-n2cccn2)c(F)c1 ZINC000339421353 1014386665 /nfs/dbraw/zinc/38/66/65/1014386665.db2.gz BJUCZXLHAUHMTK-ZDUSSCGKSA-N 1 1 338.361 3.873 20 30 EHEDMO CC(C)n1cc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2Br)cn1 ZINC000573182499 1032105330 /nfs/dbraw/zinc/10/53/30/1032105330.db2.gz PXAPUXFDWXXYQK-GFCCVEGCSA-N 1 1 347.260 3.949 20 30 EHEDMO C[C@@H]1C[C@@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC[N@H+]1C ZINC000610209005 1014950104 /nfs/dbraw/zinc/95/01/04/1014950104.db2.gz NKDORNIZVVNWDC-QRWLVFNGSA-N 1 1 348.450 3.514 20 30 EHEDMO N#CCCN(C(=O)C[N@H+]1CC[C@@H](CC2CC2)C1)c1cccc(Cl)c1 ZINC000339672929 1015485065 /nfs/dbraw/zinc/48/50/65/1015485065.db2.gz GXDYKUTUXFYUPU-INIZCTEOSA-N 1 1 345.874 3.709 20 30 EHEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000339661071 1015482879 /nfs/dbraw/zinc/48/28/79/1015482879.db2.gz NZBWURQLGFBVRF-IBGZPJMESA-N 1 1 330.435 3.881 20 30 EHEDMO C[C@@H]1C[C@@H](CCNC(=O)c2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000510143489 1015756624 /nfs/dbraw/zinc/75/66/24/1015756624.db2.gz DNICPIDCMMSHBE-YLJYHZDGSA-N 1 1 347.462 3.589 20 30 EHEDMO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC000471255194 1016150613 /nfs/dbraw/zinc/15/06/13/1016150613.db2.gz QUEUGWVESSEHJV-LJQANCHMSA-N 1 1 329.488 3.506 20 30 EHEDMO C=CCCCCCCC[N@@H+]1CCc2onc(C(=O)NC(C)C)c2C1 ZINC001209439782 1016288625 /nfs/dbraw/zinc/28/86/25/1016288625.db2.gz ZBIPCEZNDFYZFQ-UHFFFAOYSA-N 1 1 333.476 3.698 20 30 EHEDMO C=CCCCCCCC[N@H+]1CCc2onc(C(=O)NC(C)C)c2C1 ZINC001209439782 1016288636 /nfs/dbraw/zinc/28/86/36/1016288636.db2.gz ZBIPCEZNDFYZFQ-UHFFFAOYSA-N 1 1 333.476 3.698 20 30 EHEDMO C=CCCCCCCCC[N@@H+]1CC[C@H]2OCCN(C(C)=O)[C@@H]2CC1 ZINC001209442374 1016297962 /nfs/dbraw/zinc/29/79/62/1016297962.db2.gz HAMYGQCVXVPZOY-WOJBJXKFSA-N 1 1 336.520 3.615 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2cc(C#N)cs2)cc1 ZINC000175691350 1016670393 /nfs/dbraw/zinc/67/03/93/1016670393.db2.gz ROVXCYIRWZJMIM-GFCCVEGCSA-N 1 1 336.420 3.605 20 30 EHEDMO N#Cc1cc2c(nc1NC[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000311572052 1016845253 /nfs/dbraw/zinc/84/52/53/1016845253.db2.gz AIZQQIZLYOLLBE-SFHVURJKSA-N 1 1 346.478 3.766 20 30 EHEDMO C[C@H](C#N)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000237420931 1017032249 /nfs/dbraw/zinc/03/22/49/1017032249.db2.gz DPIWDIQYASNTKL-OAHLLOKOSA-N 1 1 334.398 3.928 20 30 EHEDMO N#CC(=C(O)c1ccc(C[NH+]2CCCC2)cc1)c1nc2ccccc2[nH]1 ZINC000340364076 1017037961 /nfs/dbraw/zinc/03/79/61/1017037961.db2.gz XGPQHEORJQOFJO-KRWDZBQOSA-N 1 1 344.418 3.649 20 30 EHEDMO CCCCCCCC[C@H]([NH3+])c1nc([C@@H]2CCCN(C(C)=O)C2)no1 ZINC000904613831 1032160543 /nfs/dbraw/zinc/16/05/43/1032160543.db2.gz AXEBEQCQQJMYNR-CVEARBPZSA-N 1 1 336.480 3.546 20 30 EHEDMO COc1ccc([C@@H]([NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])C(C)C)cc1 ZINC000459469752 1032167911 /nfs/dbraw/zinc/16/79/11/1032167911.db2.gz MQUQTXDEBPMBGV-IBGZPJMESA-N 1 1 339.395 3.962 20 30 EHEDMO C=C(C)C[N@@H+](CC)CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000536766288 1032257261 /nfs/dbraw/zinc/25/72/61/1032257261.db2.gz DSGNJCROTCWPHG-UHFFFAOYSA-N 1 1 330.501 3.593 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)cc1F)C[C@H]1COc2ccccc2O1 ZINC000026665106 1032316947 /nfs/dbraw/zinc/31/69/47/1032316947.db2.gz QAZUQTVPILZCRY-KRWDZBQOSA-N 1 1 340.398 3.749 20 30 EHEDMO N#Cc1ccc2ncc(C[NH2+]Cc3c(Cl)cccc3Cl)n2c1 ZINC000538368103 1032323774 /nfs/dbraw/zinc/32/37/74/1032323774.db2.gz YABVNLMXKWUQFY-UHFFFAOYSA-N 1 1 331.206 3.803 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449222861 1032340449 /nfs/dbraw/zinc/34/04/49/1032340449.db2.gz DYUGYUBXEXMCRL-INIZCTEOSA-N 1 1 347.480 3.517 20 30 EHEDMO CO[C@H](Cc1ccc(F)cc1)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000528526361 1032405018 /nfs/dbraw/zinc/40/50/18/1032405018.db2.gz NPRWIBINZPRACK-MGPUTAFESA-N 1 1 326.415 3.948 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2c(F)cc(C#N)cc2F)C1 ZINC000610281936 1032411959 /nfs/dbraw/zinc/41/19/59/1032411959.db2.gz DEROXZJTXJGRGU-MRXNPFEDSA-N 1 1 327.378 3.547 20 30 EHEDMO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449302059 1032421466 /nfs/dbraw/zinc/42/14/66/1032421466.db2.gz UDOXOXYPTOCKNK-VCOUNFBDSA-N 1 1 342.527 3.653 20 30 EHEDMO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459762015 1032451714 /nfs/dbraw/zinc/45/17/14/1032451714.db2.gz LFRLTUQXLBHAJO-CYBMUJFWSA-N 1 1 327.359 3.669 20 30 EHEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459762015 1032451722 /nfs/dbraw/zinc/45/17/22/1032451722.db2.gz LFRLTUQXLBHAJO-CYBMUJFWSA-N 1 1 327.359 3.669 20 30 EHEDMO N#Cc1ccc(C[NH2+]C2(c3cccc(F)c3)CCC2)c([N+](=O)[O-])c1 ZINC000593036337 1032673581 /nfs/dbraw/zinc/67/35/81/1032673581.db2.gz ZEPUGIZGPGDFQO-UHFFFAOYSA-N 1 1 325.343 3.775 20 30 EHEDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CCCO[C@H]3C)c2)C[C@@H](C)O1 ZINC000330046273 1017141392 /nfs/dbraw/zinc/14/13/92/1017141392.db2.gz IPEFKONXGAQIKH-OAFZBRQQSA-N 1 1 346.471 3.699 20 30 EHEDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CCCO[C@@H]3C)c2)C[C@@H](C)O1 ZINC000330046274 1017143419 /nfs/dbraw/zinc/14/34/19/1017143419.db2.gz IPEFKONXGAQIKH-YKTARERQSA-N 1 1 346.471 3.699 20 30 EHEDMO C[C@@H]([N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1(C)CC1 ZINC000177246454 1017605373 /nfs/dbraw/zinc/60/53/73/1017605373.db2.gz GPNOSKFZAJTNMW-CYBMUJFWSA-N 1 1 345.512 3.948 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2cc(C#N)nc3ccccc32)C1 ZINC000610282012 1017624767 /nfs/dbraw/zinc/62/47/67/1017624767.db2.gz YQZFUEULVSOSLT-LJQANCHMSA-N 1 1 342.446 3.817 20 30 EHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000122369039 1017769037 /nfs/dbraw/zinc/76/90/37/1017769037.db2.gz BXNNWGKOGCOJMD-CJNGLKHVSA-N 1 1 349.500 3.887 20 30 EHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000122369039 1017769044 /nfs/dbraw/zinc/76/90/44/1017769044.db2.gz BXNNWGKOGCOJMD-CJNGLKHVSA-N 1 1 349.500 3.887 20 30 EHEDMO N#CCCC[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000377657353 1018129917 /nfs/dbraw/zinc/12/99/17/1018129917.db2.gz QGMAKJXGQDUUPO-CQSZACIVSA-N 1 1 340.208 3.732 20 30 EHEDMO N#CCCC[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000377657353 1018129923 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N#Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)ccn1 ZINC000610993868 1023980621 /nfs/dbraw/zinc/98/06/21/1023980621.db2.gz GGPMOISZOLTZTA-OAHLLOKOSA-N 1 1 348.233 3.913 20 30 EHEDMO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000024250658 1033182357 /nfs/dbraw/zinc/18/23/57/1033182357.db2.gz CSLGIJVVSQFTJC-CQSZACIVSA-N 1 1 349.425 3.642 20 30 EHEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000024250658 1033182364 /nfs/dbraw/zinc/18/23/64/1033182364.db2.gz CSLGIJVVSQFTJC-CQSZACIVSA-N 1 1 349.425 3.642 20 30 EHEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCC(=O)c3cccn32)C1 ZINC000329842678 1024220096 /nfs/dbraw/zinc/22/00/96/1024220096.db2.gz KLYAGZHUYWNHJW-UXLLHSPISA-N 1 1 345.487 3.719 20 30 EHEDMO C[N@H+]1CC[C@H](NC(=O)Nc2scnc2C2CC2)[C@H]1c1ccccc1 ZINC000329896743 1024240018 /nfs/dbraw/zinc/24/00/18/1024240018.db2.gz CQLUBKUEKXDBQN-GOEBONIOSA-N 1 1 342.468 3.792 20 30 EHEDMO C[C@H](NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)[C@@H](C)C1CCCCC1 ZINC000329957464 1024265428 /nfs/dbraw/zinc/26/54/28/1024265428.db2.gz PLDNQZXAAWTYCF-PMPSAXMXSA-N 1 1 332.492 3.554 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000443652041 1024337264 /nfs/dbraw/zinc/33/72/64/1024337264.db2.gz KRPAMQXCAKVAGU-KZNAEPCWSA-N 1 1 327.472 3.690 20 30 EHEDMO Cc1nccn1-c1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000330208768 1024355576 /nfs/dbraw/zinc/35/55/76/1024355576.db2.gz BHJXAYIKBXJVLQ-LIRRHRJNSA-N 1 1 338.455 3.825 20 30 EHEDMO C(=[NH+]Nc1cccc2cnccc21)c1ccc(N2CCOCC2)cc1 ZINC000728432351 1024359597 /nfs/dbraw/zinc/35/95/97/1024359597.db2.gz RLAICBWNUQMTRT-UHFFFAOYSA-N 1 1 332.407 3.517 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000443660966 1024375355 /nfs/dbraw/zinc/37/53/55/1024375355.db2.gz ZTIZTHVWFDAIIR-ZACQAIPSSA-N 1 1 345.462 3.829 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000187705380 1024392110 /nfs/dbraw/zinc/39/21/10/1024392110.db2.gz XNAVTHMHHCFDRE-HNNXBMFYSA-N 1 1 347.418 3.634 20 30 EHEDMO CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000048745051 1024402563 /nfs/dbraw/zinc/40/25/63/1024402563.db2.gz PVRFWFMUVFLFJV-OAQYLSRUSA-N 1 1 349.478 3.569 20 30 EHEDMO CC[N@@H+]1CC[C@H](CNCc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000048745051 1024402573 /nfs/dbraw/zinc/40/25/73/1024402573.db2.gz PVRFWFMUVFLFJV-OAQYLSRUSA-N 1 1 349.478 3.569 20 30 EHEDMO CC[N@H+]1CC[C@H](CNCc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000048745051 1024402585 /nfs/dbraw/zinc/40/25/85/1024402585.db2.gz PVRFWFMUVFLFJV-OAQYLSRUSA-N 1 1 349.478 3.569 20 30 EHEDMO N#CCc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000280926022 1024441516 /nfs/dbraw/zinc/44/15/16/1024441516.db2.gz DZOAHJHUQONQAA-IBGZPJMESA-N 1 1 340.471 3.671 20 30 EHEDMO C[C@H](c1c(F)cccc1F)[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000434833517 1024447041 /nfs/dbraw/zinc/44/70/41/1024447041.db2.gz XIBXBBAWNITTCJ-CYBMUJFWSA-N 1 1 343.377 3.858 20 30 EHEDMO C[C@H](c1c(F)cccc1F)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000434833517 1024447054 /nfs/dbraw/zinc/44/70/54/1024447054.db2.gz XIBXBBAWNITTCJ-CYBMUJFWSA-N 1 1 343.377 3.858 20 30 EHEDMO C[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000281976841 1024469774 /nfs/dbraw/zinc/46/97/74/1024469774.db2.gz LPQKUHWQNRGXPD-LPHOPBHVSA-N 1 1 346.446 3.688 20 30 EHEDMO C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000281976841 1024469787 /nfs/dbraw/zinc/46/97/87/1024469787.db2.gz LPQKUHWQNRGXPD-LPHOPBHVSA-N 1 1 346.446 3.688 20 30 EHEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000434897256 1024489160 /nfs/dbraw/zinc/48/91/60/1024489160.db2.gz VIQDXHIXAZZURB-JXFKEZNVSA-N 1 1 333.435 3.765 20 30 EHEDMO C=CCN(CCc1ccccc1)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000594133228 1033214612 /nfs/dbraw/zinc/21/46/12/1033214612.db2.gz KHRIGSCBLMHMRJ-KDURUIRLSA-N 1 1 343.515 3.690 20 30 EHEDMO Cc1cc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(C#N)cn1 ZINC000425240682 1024498854 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C=C(C)C[N@@H+](CCCc1ccc2c(c1)CCO2)Cc1ccc(CO)o1 ZINC000521115051 1025218225 /nfs/dbraw/zinc/21/82/25/1025218225.db2.gz SHTONGOHHDNQNX-UHFFFAOYSA-N 1 1 341.451 3.718 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H](COC(F)F)C2)ccc1OC ZINC000521115956 1025220527 /nfs/dbraw/zinc/22/05/27/1025220527.db2.gz BZERPSQAJVJHTI-OAHLLOKOSA-N 1 1 341.398 3.711 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C1(C#N)CCCCC1 ZINC000346876753 1025272820 /nfs/dbraw/zinc/27/28/20/1025272820.db2.gz LWXJJFAAUSRQSE-ZWKOTPCHSA-N 1 1 339.483 3.582 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C1(C#N)CCCCC1 ZINC000346876753 1025272825 /nfs/dbraw/zinc/27/28/25/1025272825.db2.gz LWXJJFAAUSRQSE-ZWKOTPCHSA-N 1 1 339.483 3.582 20 30 EHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000346952445 1025346041 /nfs/dbraw/zinc/34/60/41/1025346041.db2.gz DHFZXSRQMXNQGI-INIZCTEOSA-N 1 1 329.492 3.972 20 30 EHEDMO CC(C)(C#N)CC[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000346952445 1025346058 /nfs/dbraw/zinc/34/60/58/1025346058.db2.gz DHFZXSRQMXNQGI-INIZCTEOSA-N 1 1 329.492 3.972 20 30 EHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000346952445 1025346067 /nfs/dbraw/zinc/34/60/67/1025346067.db2.gz DHFZXSRQMXNQGI-INIZCTEOSA-N 1 1 329.492 3.972 20 30 EHEDMO N#Cc1c(F)cccc1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000428253918 1025375335 /nfs/dbraw/zinc/37/53/35/1025375335.db2.gz SZSSQALFWOJMMX-VMPITWQZSA-N 1 1 335.426 3.528 20 30 EHEDMO Cc1ccccc1CC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000451170299 1025395548 /nfs/dbraw/zinc/39/55/48/1025395548.db2.gz PBKYXILGGIQMRA-UHFFFAOYSA-N 1 1 341.842 3.633 20 30 EHEDMO Cc1ccccc1CC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000451170299 1025395559 /nfs/dbraw/zinc/39/55/59/1025395559.db2.gz PBKYXILGGIQMRA-UHFFFAOYSA-N 1 1 341.842 3.633 20 30 EHEDMO C=CC(C)(C)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000451053826 1025476691 /nfs/dbraw/zinc/47/66/91/1025476691.db2.gz FSMHQGNJQDNHCM-UHFFFAOYSA-N 1 1 325.250 3.661 20 30 EHEDMO 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C=CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000488381036 1039133940 /nfs/dbraw/zinc/13/39/40/1039133940.db2.gz RLUGQBHZEGRRNX-NQIIRXRSSA-N 1 1 336.479 3.983 20 30 EHEDMO N#Cc1ccc2c(c1)CCC[C@H]2Nc1cc[nH+]cc1Br ZINC000419022270 1039295364 /nfs/dbraw/zinc/29/53/64/1039295364.db2.gz ZQSFIZMBJYMZPS-OAHLLOKOSA-N 1 1 328.213 3.627 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](c1ccccc1C)C(C)C ZINC000488706464 1039340925 /nfs/dbraw/zinc/34/09/25/1039340925.db2.gz CPYVBPUWGSVSHO-OXQOHEQNSA-N 1 1 329.488 3.632 20 30 EHEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2ccc(C(F)(F)F)cc2C#N)C[C@@H](C)C1 ZINC000488727315 1039348383 /nfs/dbraw/zinc/34/83/83/1039348383.db2.gz GXHOBMDZEJFKCX-XNJGSVPQSA-N 1 1 337.389 3.744 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)N[C@H](C)CCC)C2)cc1 ZINC000512521291 1039562345 /nfs/dbraw/zinc/56/23/45/1039562345.db2.gz CGQZKDHRVBSMNP-MJGOQNOKSA-N 1 1 344.499 3.768 20 30 EHEDMO CCC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000906622467 1039668597 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C#Cc1cccc(NC(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000155648280 1040883622 /nfs/dbraw/zinc/88/36/22/1040883622.db2.gz CDGIFBFYPWDRCG-OAQYLSRUSA-N 1 1 347.462 3.796 20 30 EHEDMO C[C@H]1CCCC[C@@H]1OCC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000491074365 1040885576 /nfs/dbraw/zinc/88/55/76/1040885576.db2.gz JBDMCARPHRWHCH-RXVVDRJESA-N 1 1 341.499 3.666 20 30 EHEDMO C#CCNC(=O)C1CC[NH+]([C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000491067954 1040900481 /nfs/dbraw/zinc/90/04/81/1040900481.db2.gz LUQWKLXFHMKSRF-LBPRGKRZSA-N 1 1 339.266 3.516 20 30 EHEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000411488352 1040902366 /nfs/dbraw/zinc/90/23/66/1040902366.db2.gz OPWOUNNKVYRBCZ-ZDUSSCGKSA-N 1 1 334.366 3.616 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000411488352 1040902385 /nfs/dbraw/zinc/90/23/85/1040902385.db2.gz OPWOUNNKVYRBCZ-ZDUSSCGKSA-N 1 1 334.366 3.616 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000367680487 1041182728 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EHEDMO C=CC[N@@H+](Cc1cccc(OCc2ccccn2)c1)[C@@H](C)COC ZINC000661238888 1042026126 /nfs/dbraw/zinc/02/61/26/1042026126.db2.gz HBDYNLKVSIBBCU-KRWDZBQOSA-N 1 1 326.440 3.684 20 30 EHEDMO CC(C)[C@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)N1CCC(C)CC1 ZINC000236722324 1042083280 /nfs/dbraw/zinc/08/32/80/1042083280.db2.gz CNCALKXXPPPXGK-NQIIRXRSSA-N 1 1 343.515 3.824 20 30 EHEDMO CCN1CCC([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000066905134 1042276422 /nfs/dbraw/zinc/27/64/22/1042276422.db2.gz CFVNDXRWZSISIK-UHFFFAOYSA-N 1 1 349.478 3.711 20 30 EHEDMO N#Cc1cccc(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000709623809 1042440273 /nfs/dbraw/zinc/44/02/73/1042440273.db2.gz CJTSLYZNFGTNPM-OAQYLSRUSA-N 1 1 347.462 3.733 20 30 EHEDMO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@H](CO)[C@H]2C)cc1OC ZINC000628313648 1042573259 /nfs/dbraw/zinc/57/32/59/1042573259.db2.gz WQKHGXJTXALIHT-UKRRQHHQSA-N 1 1 339.863 3.506 20 30 EHEDMO C[N@@H+](CCNCc1ccc(C#N)cc1C(F)(F)F)C1CCCCC1 ZINC000569651496 1043011933 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C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000344071474 1043210887 /nfs/dbraw/zinc/21/08/87/1043210887.db2.gz QPCAHBTXMZLCMM-HOTGVXAUSA-N 1 1 345.462 3.829 20 30 EHEDMO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000512152128 1043465966 /nfs/dbraw/zinc/46/59/66/1043465966.db2.gz LIRHZPFDJMMGST-PKOBYXMFSA-N 1 1 339.483 3.802 20 30 EHEDMO C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F)c1nccs1 ZINC000344368020 1043769579 /nfs/dbraw/zinc/76/95/79/1043769579.db2.gz XIVBOMGOUDIXPB-LLVKDONJSA-N 1 1 337.395 3.852 20 30 EHEDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279380453 1044014581 /nfs/dbraw/zinc/01/45/81/1044014581.db2.gz KBAUINBSGQTQQL-QFBILLFUSA-N 1 1 337.471 3.869 20 30 EHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@](C)(C#N)CCSC)cc1 ZINC000344679165 1044281336 /nfs/dbraw/zinc/28/13/36/1044281336.db2.gz QXXNGVLOOVLDNU-IBGZPJMESA-N 1 1 347.528 3.684 20 30 EHEDMO C=C(Br)CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000809559192 1135850457 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CC[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000917049917 1122449088 /nfs/dbraw/zinc/44/90/88/1122449088.db2.gz CWJNYTJSWUZWAH-UHFFFAOYSA-N 1 1 338.407 3.578 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc3ccccc3c2)c1 ZINC000917065198 1122466977 /nfs/dbraw/zinc/46/69/77/1122466977.db2.gz DIURTPBXRLVPGH-UHFFFAOYSA-N 1 1 328.415 3.892 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc3ccccc3c2)c1 ZINC000917065198 1122466978 /nfs/dbraw/zinc/46/69/78/1122466978.db2.gz DIURTPBXRLVPGH-UHFFFAOYSA-N 1 1 328.415 3.892 20 30 EHEDMO C=CC[N@H+](Cc1nc(-c2cccc(Br)c2)no1)C(C)C ZINC000917070544 1122475966 /nfs/dbraw/zinc/47/59/66/1122475966.db2.gz DYCZNFHXASTDTF-UHFFFAOYSA-N 1 1 336.233 3.896 20 30 EHEDMO C=CC[N@@H+](Cc1nc(-c2cccc(Br)c2)no1)C(C)C ZINC000917070544 1122475968 /nfs/dbraw/zinc/47/59/68/1122475968.db2.gz DYCZNFHXASTDTF-UHFFFAOYSA-N 1 1 336.233 3.896 20 30 EHEDMO N#Cc1ccccc1OCCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000497472258 1122559345 /nfs/dbraw/zinc/55/93/45/1122559345.db2.gz UZINVZOTEDCIAE-UHFFFAOYSA-N 1 1 341.499 3.525 20 30 EHEDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC2(c3cccc(C#N)c3)CC2)C1 ZINC000556602233 1123058212 /nfs/dbraw/zinc/05/82/12/1123058212.db2.gz VZHZMBBNZOBSES-DYESRHJHSA-N 1 1 331.463 3.972 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC2(c3cccc(C#N)c3)CC2)C1 ZINC000556602233 1123058217 /nfs/dbraw/zinc/05/82/17/1123058217.db2.gz VZHZMBBNZOBSES-DYESRHJHSA-N 1 1 331.463 3.972 20 30 EHEDMO Cc1ccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1C ZINC000194966449 1123095941 /nfs/dbraw/zinc/09/59/41/1123095941.db2.gz HUKVIKVCDMPEGT-UHFFFAOYSA-N 1 1 333.435 3.778 20 30 EHEDMO Cc1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1C ZINC000194966449 1123095942 /nfs/dbraw/zinc/09/59/42/1123095942.db2.gz HUKVIKVCDMPEGT-UHFFFAOYSA-N 1 1 333.435 3.778 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CCCO[C@H](C(C)C)C2)ccc1OC ZINC000556980831 1123253091 /nfs/dbraw/zinc/25/30/91/1123253091.db2.gz JNWDPQNCHADETJ-FQEVSTJZSA-N 1 1 333.472 3.897 20 30 EHEDMO C#Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000920255704 1123344166 /nfs/dbraw/zinc/34/41/66/1123344166.db2.gz UMDZNWNOVMZGNJ-GOSISDBHSA-N 1 1 336.410 3.658 20 30 EHEDMO COc1cccc(/C=N\C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1O ZINC000921261656 1123500732 /nfs/dbraw/zinc/50/07/32/1123500732.db2.gz SHOJPKPBEKJBNO-QWQBBLJPSA-N 1 1 338.451 3.732 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2cc(F)ccc2Br)s1 ZINC000135682085 1123638233 /nfs/dbraw/zinc/63/82/33/1123638233.db2.gz ICPXSHKJDKELCC-UHFFFAOYSA-N 1 1 325.206 3.811 20 30 EHEDMO C=CCN(CC=C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000079169156 1123676044 /nfs/dbraw/zinc/67/60/44/1123676044.db2.gz SSFXWCYUYQGBCA-GOSISDBHSA-N 1 1 341.499 3.945 20 30 EHEDMO CC(C)C[C@H]1CCCCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610144734 1123735544 /nfs/dbraw/zinc/73/55/44/1123735544.db2.gz ZVWOVAXIESAXSV-WOJBJXKFSA-N 1 1 344.499 3.783 20 30 EHEDMO C[C@H](C#N)Oc1ccc(CNC[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000237573377 1123778129 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3.553 20 30 EHEDMO C=CC[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC)c1ccncc1 ZINC000734668460 1131266658 /nfs/dbraw/zinc/26/66/58/1131266658.db2.gz GPHORTHANSFQBV-OALUTQOASA-N 1 1 344.503 3.653 20 30 EHEDMO C[C@@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000181518802 1124909083 /nfs/dbraw/zinc/90/90/83/1124909083.db2.gz FWCGQIRDZVRJHR-OXQOHEQNSA-N 1 1 329.488 3.750 20 30 EHEDMO Cc1cc(C[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)ccc1C#N ZINC000618594544 1125124920 /nfs/dbraw/zinc/12/49/20/1125124920.db2.gz LMUMFYKXDFZYQI-MRXNPFEDSA-N 1 1 328.456 3.811 20 30 EHEDMO N#CC1(NC(=O)C[N@@H+]2CCCCC[C@@H]2c2ccco2)CCCCC1 ZINC000078830349 1129202917 /nfs/dbraw/zinc/20/29/17/1129202917.db2.gz GQSIVYPKIPIUBR-MRXNPFEDSA-N 1 1 329.444 3.539 20 30 EHEDMO N#CC1(NC(=O)C[N@H+]2CCCCC[C@@H]2c2ccco2)CCCCC1 ZINC000078830349 1129202921 /nfs/dbraw/zinc/20/29/21/1129202921.db2.gz GQSIVYPKIPIUBR-MRXNPFEDSA-N 1 1 329.444 3.539 20 30 EHEDMO Cc1ccc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)cc1 ZINC000543247297 1129369696 /nfs/dbraw/zinc/36/96/96/1129369696.db2.gz BRASJNHRTGCCAP-APWZRJJASA-N 1 1 333.435 3.683 20 30 EHEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccn1)c1ccc(F)c(Br)c1 ZINC001168724000 1129484845 /nfs/dbraw/zinc/48/48/45/1129484845.db2.gz PZZXNHNOUBJSPT-SNVBAGLBSA-N 1 1 334.192 3.706 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)CCc1ccccc1 ZINC000543437538 1129489428 /nfs/dbraw/zinc/48/94/28/1129489428.db2.gz XTFOIBGBJCLIFS-YPAWHYETSA-N 1 1 334.463 3.752 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000265858702 1129509995 /nfs/dbraw/zinc/50/99/95/1129509995.db2.gz RQCGXBVBCVNMQE-RVKKMQEKSA-N 1 1 343.471 3.854 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000274255019 1129523291 /nfs/dbraw/zinc/52/32/91/1129523291.db2.gz YIPVULRFZZQYRT-HZPDHXFCSA-N 1 1 342.443 3.557 20 30 EHEDMO COCC[N@@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000092567721 1129552220 /nfs/dbraw/zinc/55/22/20/1129552220.db2.gz QYKZDLCAZZHOEO-UHFFFAOYSA-N 1 1 346.434 3.597 20 30 EHEDMO N#Cc1c(F)cccc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000428956804 1129637373 /nfs/dbraw/zinc/63/73/73/1129637373.db2.gz ZBUYMGVCSIXSTA-AZUAARDMSA-N 1 1 349.453 3.651 20 30 EHEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCCC[C@H]2CC(N)=O)c1 ZINC000331143736 1129653781 /nfs/dbraw/zinc/65/37/81/1129653781.db2.gz GIZMLJNPINDIHF-ZDUSSCGKSA-N 1 1 336.233 3.601 20 30 EHEDMO C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000392106956 1129701733 /nfs/dbraw/zinc/70/17/33/1129701733.db2.gz RLCXLKGOGPLWDO-GDBMZVCRSA-N 1 1 344.842 3.644 20 30 EHEDMO CC[N@@H+](CC(=O)N([C@H](C)C1CC1)C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125749030 1129713364 /nfs/dbraw/zinc/71/33/64/1129713364.db2.gz VWJAFBFKIMCILS-JKSUJKDBSA-N 1 1 339.483 3.731 20 30 EHEDMO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1nc(-c2ccncc2)cs1 ZINC000347832205 1129902589 /nfs/dbraw/zinc/90/25/89/1129902589.db2.gz AAUZXGXNRFIOMI-LLVKDONJSA-N 1 1 326.450 3.989 20 30 EHEDMO Cn1nc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000673930381 1129907322 /nfs/dbraw/zinc/90/73/22/1129907322.db2.gz VFEDNIMADWTRMF-UHFFFAOYSA-N 1 1 343.352 3.733 20 30 EHEDMO CC[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000030144480 1129912999 /nfs/dbraw/zinc/91/29/99/1129912999.db2.gz QZWJTXJBMCRSBU-ZDUSSCGKSA-N 1 1 331.485 3.559 20 30 EHEDMO C[C@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)[C@H]1c1cccc(F)c1 ZINC000245800804 1130321819 /nfs/dbraw/zinc/32/18/19/1130321819.db2.gz XVPYVMHOPLDORK-VBKZILBWSA-N 1 1 334.398 3.928 20 30 EHEDMO C[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@H]1c1cccc(F)c1 ZINC000245800804 1130321825 /nfs/dbraw/zinc/32/18/25/1130321825.db2.gz XVPYVMHOPLDORK-VBKZILBWSA-N 1 1 334.398 3.928 20 30 EHEDMO COc1cccc(/C=N\C[C@H]2CCC[N@H+]2CC2CCCCC2)c1O ZINC000731488316 1130803189 /nfs/dbraw/zinc/80/31/89/1130803189.db2.gz DCIPODUSTAGJPR-LZAZYHHXSA-N 1 1 330.472 3.864 20 30 EHEDMO C#Cc1cccc(NC(=S)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)c1 ZINC000731946254 1130863306 /nfs/dbraw/zinc/86/33/06/1130863306.db2.gz XDLHVPYXABJXIC-QGZVFWFLSA-N 1 1 343.540 3.855 20 30 EHEDMO N#Cc1ccc(OCCCO[NH+]=C(N)CCCc2ccccc2)cc1 ZINC000732193956 1130891536 /nfs/dbraw/zinc/89/15/36/1130891536.db2.gz OPLHXLMFKNTUII-UHFFFAOYSA-N 1 1 337.423 3.849 20 30 EHEDMO C=CC1CC[NH+](Cn2ccn(-c3ccc(OC)cc3)c2=S)CC1 ZINC000732181374 1130895066 /nfs/dbraw/zinc/89/50/66/1130895066.db2.gz TUBYCYRSGLVRLT-UHFFFAOYSA-N 1 1 329.469 3.872 20 30 EHEDMO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000732204003 1130899787 /nfs/dbraw/zinc/89/97/87/1130899787.db2.gz OITIMBPNMJOIGC-RHSMWYFYSA-N 1 1 339.405 3.932 20 30 EHEDMO C#CCOc1cccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000732290488 1130910421 /nfs/dbraw/zinc/91/04/21/1130910421.db2.gz ROYVJKUYUYPNEY-SFHVURJKSA-N 1 1 342.826 3.593 20 30 EHEDMO C[C@H](C(=O)OCCCCC#N)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732396709 1130921756 /nfs/dbraw/zinc/92/17/56/1130921756.db2.gz JJGJOQNMSQSKMW-QGZVFWFLSA-N 1 1 328.456 3.567 20 30 EHEDMO C#CC[N@H+](CCSC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733614039 1131061773 /nfs/dbraw/zinc/06/17/73/1131061773.db2.gz VLGCWQJANWIYSH-CQSZACIVSA-N 1 1 340.286 3.571 20 30 EHEDMO C=CCOCCC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)CC ZINC000348047835 1131137326 /nfs/dbraw/zinc/13/73/26/1131137326.db2.gz GAENOWGVQYUASI-HNNXBMFYSA-N 1 1 329.444 3.529 20 30 EHEDMO CCC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)CC1CC1 ZINC000734149433 1131199858 /nfs/dbraw/zinc/19/98/58/1131199858.db2.gz LNFMLFNGLINWJC-CQSZACIVSA-N 1 1 327.453 3.595 20 30 EHEDMO C=CCOc1ccccc1C[NH2+]Cc1nc2cc(F)ccc2n1C ZINC000736358391 1131418602 /nfs/dbraw/zinc/41/86/02/1131418602.db2.gz XXPLRHJYPVCPCY-UHFFFAOYSA-N 1 1 325.387 3.567 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000739847516 1131514597 /nfs/dbraw/zinc/51/45/97/1131514597.db2.gz RTYJKMOOXVOMAZ-ZVBHREPYSA-N 1 1 347.466 3.593 20 30 EHEDMO Cc1nc(Cl)cc(N=NC2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000741763956 1131642396 /nfs/dbraw/zinc/64/23/96/1131642396.db2.gz LYIMAZVMJHJYHM-ZDUSSCGKSA-N 1 1 343.862 3.748 20 30 EHEDMO C#CCOc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000742252445 1131701934 /nfs/dbraw/zinc/70/19/34/1131701934.db2.gz BONANAUHPCIHFB-NRFANRHFSA-N 1 1 348.446 3.692 20 30 EHEDMO COc1ccc(C[NH2+]Cc2cc(C#N)ccc2F)cc1OC(F)F ZINC000742381820 1131713157 /nfs/dbraw/zinc/71/31/57/1131713157.db2.gz LJVSAQTUQSKYNZ-UHFFFAOYSA-N 1 1 336.313 3.597 20 30 EHEDMO CSc1ccc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)cc1 ZINC000742405704 1131718965 /nfs/dbraw/zinc/71/89/65/1131718965.db2.gz AMJHKECNQIGEJD-UHFFFAOYSA-N 1 1 341.455 3.741 20 30 EHEDMO Cc1cc(NCC[N@@H+]2CCC[C@@H]2C)n2c3ccccc3nc2c1C#N ZINC000742424948 1131724030 /nfs/dbraw/zinc/72/40/30/1131724030.db2.gz HMXLJOKNTQQOPA-HNNXBMFYSA-N 1 1 333.439 3.564 20 30 EHEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@@H](C)CCOCC(C)C)C2 ZINC001172468678 1131733325 /nfs/dbraw/zinc/73/33/25/1131733325.db2.gz XDSGGWWKVRZCFB-SLFFLAALSA-N 1 1 339.520 3.511 20 30 EHEDMO CC(C)COCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001172475442 1131735487 /nfs/dbraw/zinc/73/54/87/1131735487.db2.gz IXVXHBBBVHUUGO-YLJYHZDGSA-N 1 1 330.472 3.853 20 30 EHEDMO CC(C)COCC[C@@H](C)[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001172477554 1131737794 /nfs/dbraw/zinc/73/77/94/1131737794.db2.gz AYSJNHUCXPMOTA-XLIONFOSSA-N 1 1 330.472 3.853 20 30 EHEDMO C[C@H](CCCC#N)[N@H+]1C[C@H]2CCC[C@@]2(COCc2cccnc2)C1 ZINC001172496977 1131759134 /nfs/dbraw/zinc/75/91/34/1131759134.db2.gz VLQSWAKFDQRUHU-RLLQIKCJSA-N 1 1 327.472 3.783 20 30 EHEDMO C[C@H](CCCC#N)[N@H+]1C[C@H]2Cc3c(c(-c4ccccc4)nn3C)[C@H]2C1 ZINC001172498067 1131760171 /nfs/dbraw/zinc/76/01/71/1131760171.db2.gz IJRFHURUJJZGHX-NXHRZFHOSA-N 1 1 334.467 3.741 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172717448 1131818488 /nfs/dbraw/zinc/81/84/88/1131818488.db2.gz GEBZOFAPBVJUQD-AABGKKOBSA-N 1 1 347.886 3.633 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H]1CCc3ccc(C)cc3C1)C2 ZINC001172831315 1131856137 /nfs/dbraw/zinc/85/61/37/1131856137.db2.gz GXIKNWMNGDDSGQ-FKBYEOEOSA-N 1 1 341.495 3.678 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCC[C@@H]3CCC[C@@H]32)C[C@H]1C#N ZINC001172991038 1131937372 /nfs/dbraw/zinc/93/73/72/1131937372.db2.gz KGNXLBODZKLEFG-QAETUUGQSA-N 1 1 333.476 3.543 20 30 EHEDMO C=CCOC1CCC([N@@H+]2CCN(c3ccc(Cl)cc3)C(=O)C2)CC1 ZINC001173323485 1132046874 /nfs/dbraw/zinc/04/68/74/1132046874.db2.gz YUTUBURJQKBHRR-UHFFFAOYSA-N 1 1 348.874 3.502 20 30 EHEDMO C=CCOC1CCC([N@H+]2CCN(c3ccc(Cl)cc3)C(=O)C2)CC1 ZINC001173323485 1132046879 /nfs/dbraw/zinc/04/68/79/1132046879.db2.gz YUTUBURJQKBHRR-UHFFFAOYSA-N 1 1 348.874 3.502 20 30 EHEDMO C=CCOC1CCC([N@@H+]2CCO[C@](C)(c3ccc(F)cc3)C2)CC1 ZINC001173326916 1132047685 /nfs/dbraw/zinc/04/76/85/1132047685.db2.gz VGUGHBZAYQLGNZ-MHJFOBGBSA-N 1 1 333.447 3.887 20 30 EHEDMO N#CCC1CCC([N@H+]2CCc3ncc(Br)cc3C2)CC1 ZINC001173338692 1132054113 /nfs/dbraw/zinc/05/41/13/1132054113.db2.gz HAHONISCEBCTIS-UHFFFAOYSA-N 1 1 334.261 3.675 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173340975 1132054915 /nfs/dbraw/zinc/05/49/15/1132054915.db2.gz OMHDRBFZCXXMKC-RJYAGPCLSA-N 1 1 335.492 3.696 20 30 EHEDMO C=CCOC1CCC([NH2+]C2(C(=O)OCc3ccccc3)CCC2)CC1 ZINC001173316766 1132059799 /nfs/dbraw/zinc/05/97/99/1132059799.db2.gz COJIBDSHQKOCBX-UHFFFAOYSA-N 1 1 343.467 3.756 20 30 EHEDMO C#CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000744388768 1132083488 /nfs/dbraw/zinc/08/34/88/1132083488.db2.gz VCIJKOXDUDPCBK-OAQYLSRUSA-N 1 1 343.430 3.510 20 30 EHEDMO CC1(C#N)CCC([N@H+]2CCc3ncnc(-c4ccoc4)c3CC2)CC1 ZINC001173594434 1132098986 /nfs/dbraw/zinc/09/89/86/1132098986.db2.gz CRBZDVIGPFMBHV-UHFFFAOYSA-N 1 1 336.439 3.610 20 30 EHEDMO C[C@@H]1C[N@@H+](C2CCC(C)(C#N)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001173596784 1132100019 /nfs/dbraw/zinc/10/00/19/1132100019.db2.gz CLOZTKJRAPGNJL-JOUKPKRSSA-N 1 1 335.492 3.789 20 30 EHEDMO C[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(C)(C#N)CC1 ZINC001173600326 1132102341 /nfs/dbraw/zinc/10/23/41/1132102341.db2.gz ZSYROHTXLCCELU-MDCZIUGASA-N 1 1 335.492 3.648 20 30 EHEDMO N#Cc1cccc(Cl)c1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174445773 1132360735 /nfs/dbraw/zinc/36/07/35/1132360735.db2.gz QNEPMKQEEKTBIE-UHFFFAOYSA-N 1 1 327.815 3.787 20 30 EHEDMO CC[N@@H+](CC#Cc1ccccc1Cl)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001174966020 1132521098 /nfs/dbraw/zinc/52/10/98/1132521098.db2.gz WINMNJKKZDPZOU-OAHLLOKOSA-N 1 1 344.808 3.650 20 30 EHEDMO N#CCCC[NH+]1CCN(c2cccc(OCc3ccccc3)c2)CC1 ZINC001175769012 1132761117 /nfs/dbraw/zinc/76/11/17/1132761117.db2.gz OVFWBYBGCZUEDV-UHFFFAOYSA-N 1 1 335.451 3.691 20 30 EHEDMO N#Cc1cc(Cl)ccc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175859595 1132785968 /nfs/dbraw/zinc/78/59/68/1132785968.db2.gz QIAJSQWBPOQMBH-UHFFFAOYSA-N 1 1 327.815 3.787 20 30 EHEDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3cc(C#N)ccc3F)cc2)c1C ZINC001129338394 1132804346 /nfs/dbraw/zinc/80/43/46/1132804346.db2.gz HWERPLCHRZWOBO-UHFFFAOYSA-N 1 1 334.354 3.752 20 30 EHEDMO C[NH+](C)CCCC1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000767002437 1132933773 /nfs/dbraw/zinc/93/37/73/1132933773.db2.gz MVWICORZUMSFPT-UHFFFAOYSA-N 1 1 349.906 3.796 20 30 EHEDMO C#CC[N@H+](C[C@@H](O)COCc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001176452656 1132937719 /nfs/dbraw/zinc/93/77/19/1132937719.db2.gz LPHOTJHBQWDKNW-FYYLOGMGSA-N 1 1 349.474 3.577 20 30 EHEDMO CCCCC[C@@H](C)NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000767726942 1133044168 /nfs/dbraw/zinc/04/41/68/1133044168.db2.gz CRFZLYMPJNWUQV-QGZVFWFLSA-N 1 1 339.483 3.732 20 30 EHEDMO CCCCC[C@@H](C)NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000767726942 1133044177 /nfs/dbraw/zinc/04/41/77/1133044177.db2.gz CRFZLYMPJNWUQV-QGZVFWFLSA-N 1 1 339.483 3.732 20 30 EHEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768153860 1133102419 /nfs/dbraw/zinc/10/24/19/1133102419.db2.gz NDWRENDQEBFDPK-UHFFFAOYSA-N 1 1 344.459 3.957 20 30 EHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768153860 1133102422 /nfs/dbraw/zinc/10/24/22/1133102422.db2.gz NDWRENDQEBFDPK-UHFFFAOYSA-N 1 1 344.459 3.957 20 30 EHEDMO C#Cc1ccc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001177982008 1133126131 /nfs/dbraw/zinc/12/61/31/1133126131.db2.gz ZJBMJWHJFIXZEP-MOJGAOKDSA-N 1 1 332.491 3.914 20 30 EHEDMO C#Cc1ccc(C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC001177982008 1133126134 /nfs/dbraw/zinc/12/61/34/1133126134.db2.gz ZJBMJWHJFIXZEP-MOJGAOKDSA-N 1 1 332.491 3.914 20 30 EHEDMO CC(C)c1[nH+]c(CN=Nc2cc(C#N)cc(Cl)n2)c2ccccn21 ZINC000768376448 1133134222 /nfs/dbraw/zinc/13/42/22/1133134222.db2.gz SNNXQKGAHRZIMC-UHFFFAOYSA-N 1 1 338.802 3.824 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCc3cc(F)ccc3C2)c(O)c(OC)c1 ZINC000768480927 1133142159 /nfs/dbraw/zinc/14/21/59/1133142159.db2.gz ATNWGFCGSYZSPL-UHFFFAOYSA-N 1 1 327.399 3.827 20 30 EHEDMO CCN(C)c1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1 ZINC000773772779 1133205111 /nfs/dbraw/zinc/20/51/11/1133205111.db2.gz JYBUFOIVWMOMCR-JOCHJYFZSA-N 1 1 348.494 3.525 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000769315210 1133260812 /nfs/dbraw/zinc/26/08/12/1133260812.db2.gz HSCNLSVDEXPSHM-DYESRHJHSA-N 1 1 336.435 3.941 20 30 EHEDMO C#CCOc1ccc(C[N@H+](C)[C@H]2CCCc3nc(C)sc32)cc1 ZINC000769402918 1133277607 /nfs/dbraw/zinc/27/76/07/1133277607.db2.gz AFSQJWCVXCTAMA-SFHVURJKSA-N 1 1 326.465 3.973 20 30 EHEDMO C[C@@H]1COCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000769454988 1133293842 /nfs/dbraw/zinc/29/38/42/1133293842.db2.gz CLOXSVCJXMIARW-KRWDZBQOSA-N 1 1 336.435 3.606 20 30 EHEDMO C[N@H+](Cc1ccnn1CCc1ccccc1)Cc1cccc(C#N)c1 ZINC001180394909 1133365511 /nfs/dbraw/zinc/36/55/11/1133365511.db2.gz ZGAHMPIUSLQBPK-UHFFFAOYSA-N 1 1 330.435 3.629 20 30 EHEDMO C[N@@H+](Cc1ccnn1CCc1ccccc1)Cc1cccc(C#N)c1 ZINC001180394909 1133365517 /nfs/dbraw/zinc/36/55/17/1133365517.db2.gz ZGAHMPIUSLQBPK-UHFFFAOYSA-N 1 1 330.435 3.629 20 30 EHEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000770349883 1133419380 /nfs/dbraw/zinc/41/93/80/1133419380.db2.gz NWXVISNRMWGQRL-VGSWGCGISA-N 1 1 349.478 3.860 20 30 EHEDMO C#CCOc1cccc(Cl)c1C[N@H+](CCOC)[C@@H]1CC[C@H](C)C1 ZINC001181360340 1133480846 /nfs/dbraw/zinc/48/08/46/1133480846.db2.gz GELXNTNOIHTTGI-JKSUJKDBSA-N 1 1 335.875 3.989 20 30 EHEDMO CC1(C#N)CN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)C1 ZINC001182242378 1133606896 /nfs/dbraw/zinc/60/68/96/1133606896.db2.gz BOSRODUREIBTKV-QGZVFWFLSA-N 1 1 345.874 3.629 20 30 EHEDMO CN(C)c1nc(Cl)c(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)s1 ZINC001182595616 1133706907 /nfs/dbraw/zinc/70/69/07/1133706907.db2.gz VGXRFFAIEGNVTC-UHFFFAOYSA-N 1 1 346.887 3.903 20 30 EHEDMO C#CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCc2ccccc21 ZINC000772596697 1133706927 /nfs/dbraw/zinc/70/69/27/1133706927.db2.gz AATUQIMCIMKQDW-QHCPKHFHSA-N 1 1 346.474 3.646 20 30 EHEDMO N#Cc1ccc(N[C@H]2CCC[N@H+](C/C=C\c3ccc(F)cc3)C2)nc1 ZINC001183927879 1133879534 /nfs/dbraw/zinc/87/95/34/1133879534.db2.gz DTOXVNAZSOAMBU-SOHNTWGLSA-N 1 1 336.414 3.682 20 30 EHEDMO CC[C@H](CC#N)OC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000787086555 1133949175 /nfs/dbraw/zinc/94/91/75/1133949175.db2.gz QICVCLSHYVKEIY-QFBILLFUSA-N 1 1 328.456 3.565 20 30 EHEDMO Cc1cc(NCCC[N@H+](C)C2CCCCC2)c(C#N)cc1[N+](=O)[O-] ZINC001184644082 1133970265 /nfs/dbraw/zinc/97/02/65/1133970265.db2.gz GTAGUJQPMJOCRY-UHFFFAOYSA-N 1 1 330.432 3.841 20 30 EHEDMO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc4cnccc4c3)CCO2)c1 ZINC000787205259 1133975167 /nfs/dbraw/zinc/97/51/67/1133975167.db2.gz LPAWUTYYJLTPRD-OAQYLSRUSA-N 1 1 329.403 3.680 20 30 EHEDMO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc4cnccc4c3)CCO2)c1 ZINC000787205259 1133975172 /nfs/dbraw/zinc/97/51/72/1133975172.db2.gz LPAWUTYYJLTPRD-OAQYLSRUSA-N 1 1 329.403 3.680 20 30 EHEDMO C#CCC1(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CCCCC1 ZINC000788192814 1134092337 /nfs/dbraw/zinc/09/23/37/1134092337.db2.gz JCBQMUXXBPSCAZ-UYAOXDASSA-N 1 1 338.495 3.912 20 30 EHEDMO C#CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000788453611 1134126720 /nfs/dbraw/zinc/12/67/20/1134126720.db2.gz OOUALPDJEMZQBR-HXUWFJFHSA-N 1 1 338.495 3.693 20 30 EHEDMO CCC[C@H]1CN(c2c(C#N)cccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC001185930999 1134152932 /nfs/dbraw/zinc/15/29/32/1134152932.db2.gz QHUFDJDWEXUOAA-NRFANRHFSA-N 1 1 344.462 3.921 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(Br)c(C)c2)n1 ZINC000789762050 1134327890 /nfs/dbraw/zinc/32/78/90/1134327890.db2.gz SGZDVDYVFANDBG-UHFFFAOYSA-N 1 1 346.272 3.609 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(Br)c(C)c2)n1 ZINC000789762050 1134327898 /nfs/dbraw/zinc/32/78/98/1134327898.db2.gz SGZDVDYVFANDBG-UHFFFAOYSA-N 1 1 346.272 3.609 20 30 EHEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(NC3C[NH+](C(C)C)C3)c12 ZINC001157532013 1134428273 /nfs/dbraw/zinc/42/82/73/1134428273.db2.gz FCEZHFFSKCRWCQ-UHFFFAOYSA-N 1 1 332.810 3.712 20 30 EHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000791606134 1134582782 /nfs/dbraw/zinc/58/27/82/1134582782.db2.gz QXZCHHBMJBNYGM-TZIWHRDSSA-N 1 1 348.446 3.879 20 30 EHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000791606134 1134582787 /nfs/dbraw/zinc/58/27/87/1134582787.db2.gz QXZCHHBMJBNYGM-TZIWHRDSSA-N 1 1 348.446 3.879 20 30 EHEDMO C#CC[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)[C@H]1CCc2ccccc21 ZINC001190529907 1134713076 /nfs/dbraw/zinc/71/30/76/1134713076.db2.gz XWVUCJRULHCJMO-PXNSSMCTSA-N 1 1 326.484 3.502 20 30 EHEDMO C#CC[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)[C@H]1CCc2ccccc21 ZINC001190529907 1134713081 /nfs/dbraw/zinc/71/30/81/1134713081.db2.gz XWVUCJRULHCJMO-PXNSSMCTSA-N 1 1 326.484 3.502 20 30 EHEDMO C#C[C@H](CC)[NH2+][C@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000792638216 1134754721 /nfs/dbraw/zinc/75/47/21/1134754721.db2.gz ZJTLGNDYAZORTH-XLIONFOSSA-N 1 1 336.435 3.767 20 30 EHEDMO COc1ccc(C[C@H](C)[N@@H+](CCC#N)C2CCCC2)c([N+](=O)[O-])c1 ZINC001170340067 1134758050 /nfs/dbraw/zinc/75/80/50/1134758050.db2.gz DDSKXSMCDYVNRJ-AWEZNQCLSA-N 1 1 331.416 3.693 20 30 EHEDMO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170389021 1134762014 /nfs/dbraw/zinc/76/20/14/1134762014.db2.gz JGDQRCKUIATURN-BFIFELMSSA-N 1 1 340.467 3.522 20 30 EHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCCC[C@@](O)(CF)C2)CC1 ZINC001170378917 1134767169 /nfs/dbraw/zinc/76/71/69/1134767169.db2.gz NPKUKMZTUDMFJN-SOAGJPPSSA-N 1 1 330.447 3.577 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@H](C(C)(C)C)CC2)c1C#N ZINC001191021186 1134779557 /nfs/dbraw/zinc/77/95/57/1134779557.db2.gz CYSIBQBVLZCDCG-INIZCTEOSA-N 1 1 328.456 3.993 20 30 EHEDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001191475484 1134870683 /nfs/dbraw/zinc/87/06/83/1134870683.db2.gz PLTHXCJOOKKEBP-RDJZCZTQSA-N 1 1 335.407 3.920 20 30 EHEDMO CCC1(CC)CC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC001191539858 1134881979 /nfs/dbraw/zinc/88/19/79/1134881979.db2.gz HRIZTCRRMQTPSQ-OHTSDLOESA-N 1 1 333.520 3.818 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1 ZINC000793617696 1134973803 /nfs/dbraw/zinc/97/38/03/1134973803.db2.gz RPLUOGJATLCBKE-UHOFOFEASA-N 1 1 339.266 3.993 20 30 EHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000794392986 1135047824 /nfs/dbraw/zinc/04/78/24/1135047824.db2.gz MDHDFDBNAGSPMT-YOEHRIQHSA-N 1 1 330.428 3.847 20 30 EHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000794392986 1135047830 /nfs/dbraw/zinc/04/78/30/1135047830.db2.gz MDHDFDBNAGSPMT-YOEHRIQHSA-N 1 1 330.428 3.847 20 30 EHEDMO C#C[C@](C)(CC)[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC001170451680 1135076599 /nfs/dbraw/zinc/07/65/99/1135076599.db2.gz MKXHMNQRCKYVPO-MRXNPFEDSA-N 1 1 338.245 3.502 20 30 EHEDMO C#CCOCC[N@H+](C)Cc1cc(Br)c2ccccc2c1 ZINC001193021929 1135090348 /nfs/dbraw/zinc/09/03/48/1135090348.db2.gz MHHWHZCIOBQCNK-UHFFFAOYSA-N 1 1 332.241 3.684 20 30 EHEDMO CC[C@H]1Cc2ccccc2C[N@H+]1CCOc1ccc(C#N)cc1OC ZINC001193117224 1135103714 /nfs/dbraw/zinc/10/37/14/1135103714.db2.gz KYEGTDJNDRNYLN-IBGZPJMESA-N 1 1 336.435 3.783 20 30 EHEDMO C[C@H](C1CCCCC1)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001193807777 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3.654 20 30 EHEDMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000805762258 1135330440 /nfs/dbraw/zinc/33/04/40/1135330440.db2.gz PACQHYFJFARYPQ-MRXNPFEDSA-N 1 1 349.862 3.654 20 30 EHEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC001195259690 1135400905 /nfs/dbraw/zinc/40/09/05/1135400905.db2.gz YYTDTJBJBOURBW-GOSISDBHSA-N 1 1 342.389 3.922 20 30 EHEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC001195946169 1135497649 /nfs/dbraw/zinc/49/76/49/1135497649.db2.gz IASCTAWKFDAHIX-SFANZJOMSA-N 1 1 331.504 3.594 20 30 EHEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC001196410089 1135559739 /nfs/dbraw/zinc/55/97/39/1135559739.db2.gz MYPJAYMZDWWSBC-WOJBJXKFSA-N 1 1 342.483 3.590 20 30 EHEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ccccc2-c2cccs2)C1 ZINC001196460549 1135569902 /nfs/dbraw/zinc/56/99/02/1135569902.db2.gz NJBMZSQGXLTBEV-HNNXBMFYSA-N 1 1 339.464 3.634 20 30 EHEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccccc2-c2cccs2)C1 ZINC001196460549 1135569909 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ZINC000809575748 1135853061 /nfs/dbraw/zinc/85/30/61/1135853061.db2.gz CVIQGIJODLHLQX-APWZRJJASA-N 1 1 342.483 3.793 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1 ZINC000809594836 1135859915 /nfs/dbraw/zinc/85/99/15/1135859915.db2.gz BEORHIPBJVFQHT-QAPCUYQASA-N 1 1 328.456 3.546 20 30 EHEDMO C#Cc1ccc(CNc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC000809599695 1135860873 /nfs/dbraw/zinc/86/08/73/1135860873.db2.gz CESPAMNBTZSCJE-HDICACEKSA-N 1 1 334.463 3.889 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@H+]2CCC[C@](C)(C#N)C2)CC1 ZINC000809974837 1135907553 /nfs/dbraw/zinc/90/75/53/1135907553.db2.gz MQRLJPGBSVHAGH-MBOZVWFJSA-N 1 1 349.519 3.943 20 30 EHEDMO O=C(NC1CCCC1)OC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC000810033188 1135917102 /nfs/dbraw/zinc/91/71/02/1135917102.db2.gz BRKMOHORQAFTRL-HXUWFJFHSA-N 1 1 340.467 3.561 20 30 EHEDMO O=C(NC1CCCC1)OC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000810033188 1135917106 /nfs/dbraw/zinc/91/71/06/1135917106.db2.gz BRKMOHORQAFTRL-HXUWFJFHSA-N 1 1 340.467 3.561 20 30 EHEDMO C[C@@H](O)c1ccc(C[NH2+]Cc2cc(C#N)ccc2Br)cc1 ZINC001199732858 1135924275 /nfs/dbraw/zinc/92/42/75/1135924275.db2.gz TZBWHHMAWKZQBA-GFCCVEGCSA-N 1 1 345.240 3.664 20 30 EHEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cc2C)CC[C@H]1C ZINC001132300607 1135966567 /nfs/dbraw/zinc/96/65/67/1135966567.db2.gz NMANJKGNBKTPGT-SJORKVTESA-N 1 1 347.503 3.649 20 30 EHEDMO Cc1cc(C)nc(N=NCC(C)(C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000747624208 1135991795 /nfs/dbraw/zinc/99/17/95/1135991795.db2.gz KHLKRTBQAUSFRD-UHFFFAOYSA-N 1 1 325.460 3.649 20 30 EHEDMO CCCC[N@@H+]1CCCC[C@@H]1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000776156394 1136009043 /nfs/dbraw/zinc/00/90/43/1136009043.db2.gz LYDNBTMTQXDOIA-IEBWSBKVSA-N 1 1 329.488 3.894 20 30 EHEDMO CCCC[N@H+]1CCCC[C@@H]1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000776156394 1136009048 /nfs/dbraw/zinc/00/90/48/1136009048.db2.gz LYDNBTMTQXDOIA-IEBWSBKVSA-N 1 1 329.488 3.894 20 30 EHEDMO 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CC(C)(C)OC(=O)N1CCC([N@@H+](CCC(C)(C)C#N)C2CC2)CC1 ZINC000776586225 1136443151 /nfs/dbraw/zinc/44/31/51/1136443151.db2.gz DIBFSVIDAGZKHU-UHFFFAOYSA-N 1 1 335.492 3.790 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1C[C@@H]3[C@H](C1)C3(C)C)[C@H]2CC ZINC001170752553 1136477801 /nfs/dbraw/zinc/47/78/01/1136477801.db2.gz KDNICCYBLYNOLS-UONLAYADSA-N 1 1 330.516 3.843 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+](CCCC#N)C2)C1 ZINC000814674666 1136488879 /nfs/dbraw/zinc/48/88/79/1136488879.db2.gz XBKCJWYBWQXPGF-DLBZAZTESA-N 1 1 335.492 3.649 20 30 EHEDMO COC(=O)c1cc(N[NH+]=C(C)c2ccc(Cl)c(N)c2)ccc1C ZINC000814937889 1136527028 /nfs/dbraw/zinc/52/70/28/1136527028.db2.gz RFEXHOHHRBKSNH-UHFFFAOYSA-N 1 1 331.803 3.853 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c(O)c(OC)c1 ZINC000853582284 1136546463 /nfs/dbraw/zinc/54/64/63/1136546463.db2.gz JBLHCAYZFQLQSZ-UHFFFAOYSA-N 1 1 343.467 3.520 20 30 EHEDMO N#Cc1cc(COC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)ccc1F ZINC000815444134 1136595695 /nfs/dbraw/zinc/59/56/95/1136595695.db2.gz SXKLYVRCYGPHKH-GOSISDBHSA-N 1 1 330.403 3.538 20 30 EHEDMO N#Cc1ccc(COC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cc1F ZINC000815447726 1136597288 /nfs/dbraw/zinc/59/72/88/1136597288.db2.gz XTQYNQKQHRBIQJ-GOSISDBHSA-N 1 1 330.403 3.538 20 30 EHEDMO Cc1ccn(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)c(=O)c1C#N ZINC000776774733 1136661429 /nfs/dbraw/zinc/66/14/29/1136661429.db2.gz MTSIJUKJWGDNJU-HMXCVIKNSA-N 1 1 347.462 3.644 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000776798177 1136675156 /nfs/dbraw/zinc/67/51/56/1136675156.db2.gz HIAZMFVGCNQFFN-WBVHZDCISA-N 1 1 343.471 3.602 20 30 EHEDMO C=CCC(F)(F)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000816383347 1136712109 /nfs/dbraw/zinc/71/21/09/1136712109.db2.gz OUTAPFSQYIJLTC-UHFFFAOYSA-N 1 1 347.203 3.661 20 30 EHEDMO C#Cc1ccccc1CC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000816451994 1136722531 /nfs/dbraw/zinc/72/25/31/1136722531.db2.gz UQYPFCAUWQOMRH-GCJKJVERSA-N 1 1 347.458 3.664 20 30 EHEDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000817325121 1136797501 /nfs/dbraw/zinc/79/75/01/1136797501.db2.gz XUIWRAXONBUZOW-XLIONFOSSA-N 1 1 345.462 3.750 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2cccs2)cc1 ZINC000857053214 1136838053 /nfs/dbraw/zinc/83/80/53/1136838053.db2.gz NNUUZOIRYCUVJZ-MRXNPFEDSA-N 1 1 341.480 3.824 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2cccs2)cc1 ZINC000857053214 1136838056 /nfs/dbraw/zinc/83/80/56/1136838056.db2.gz NNUUZOIRYCUVJZ-MRXNPFEDSA-N 1 1 341.480 3.824 20 30 EHEDMO C=CC[C@H](NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)c1ccncc1 ZINC000857127064 1136845983 /nfs/dbraw/zinc/84/59/83/1136845983.db2.gz MDAHVOMYXHUDSE-RTWAWAEBSA-N 1 1 349.478 3.938 20 30 EHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000218683488 1136856105 /nfs/dbraw/zinc/85/61/05/1136856105.db2.gz IRILNRMVYMHIDX-CYBMUJFWSA-N 1 1 326.843 3.724 20 30 EHEDMO C=C[C@@H](C(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC001136201106 1136926412 /nfs/dbraw/zinc/92/64/12/1136926412.db2.gz VQEOPTZHTBFXQY-FGZHOGPDSA-N 1 1 348.490 3.909 20 30 EHEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023465 1136933242 /nfs/dbraw/zinc/93/32/42/1136933242.db2.gz NSTCMWMTPCLYKO-OAQYLSRUSA-N 1 1 332.447 3.854 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858046588 1136935209 /nfs/dbraw/zinc/93/52/09/1136935209.db2.gz CENPHJCLESRKKJ-FQEVSTJZSA-N 1 1 333.435 3.792 20 30 EHEDMO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccncc2Cl)ccc1OC ZINC000858136820 1136942907 /nfs/dbraw/zinc/94/29/07/1136942907.db2.gz VGQFPHDUXOODBY-OAHLLOKOSA-N 1 1 345.830 3.714 20 30 EHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@]2(C(=O)OCC)C[C@@H]2C=C)cc1 ZINC001170928317 1136945772 /nfs/dbraw/zinc/94/57/72/1136945772.db2.gz OZASAJBICAQNHC-DSKINZAPSA-N 1 1 340.467 3.929 20 30 EHEDMO Cc1ccc(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N ZINC000859155709 1137005405 /nfs/dbraw/zinc/00/54/05/1137005405.db2.gz OWQSSOHUMUYKDX-UHFFFAOYSA-N 1 1 343.471 3.698 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859928008 1137037417 /nfs/dbraw/zinc/03/74/17/1137037417.db2.gz XJIWDUJKNGSKEB-BURNTYAHSA-N 1 1 346.430 3.508 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859928008 1137037419 /nfs/dbraw/zinc/03/74/19/1137037419.db2.gz XJIWDUJKNGSKEB-BURNTYAHSA-N 1 1 346.430 3.508 20 30 EHEDMO Cc1cc(Br)ccc1-c1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000823069599 1137086043 /nfs/dbraw/zinc/08/60/43/1137086043.db2.gz QLJFILWZILYCCA-LBPRGKRZSA-N 1 1 335.205 3.501 20 30 EHEDMO C=CC[N@@H+](C)Cc1cc(Br)c([C@H](C)OCOC)cc1F ZINC000862332662 1137138790 /nfs/dbraw/zinc/13/87/90/1137138790.db2.gz WIVSKAMHCRWHAB-NSHDSACASA-N 1 1 346.240 3.888 20 30 EHEDMO C=CC[N@H+](C)Cc1cc(Br)c([C@H](C)OCOC)cc1F ZINC000862332662 1137138791 /nfs/dbraw/zinc/13/87/91/1137138791.db2.gz WIVSKAMHCRWHAB-NSHDSACASA-N 1 1 346.240 3.888 20 30 EHEDMO C#CC[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000862444217 1137144925 /nfs/dbraw/zinc/14/49/25/1137144925.db2.gz ZRVXOIMEZJQROB-GOSISDBHSA-N 1 1 342.446 3.780 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000862443655 1137144947 /nfs/dbraw/zinc/14/49/47/1137144947.db2.gz RRCAEZXDDCEADJ-KRWDZBQOSA-N 1 1 336.435 3.514 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000862444578 1137145075 /nfs/dbraw/zinc/14/50/75/1137145075.db2.gz CKMHOWFJXZWBCK-CYBMUJFWSA-N 1 1 329.241 3.843 20 30 EHEDMO C[NH+](C)Cc1cnc(CNc2ccc(OC(C)(C)C)c(C#N)c2)s1 ZINC000824722485 1137150112 /nfs/dbraw/zinc/15/01/12/1137150112.db2.gz ULPSYQYUKUONNY-UHFFFAOYSA-N 1 1 344.484 3.866 20 30 EHEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(C(F)(F)F)ccc1C ZINC001171069378 1137153248 /nfs/dbraw/zinc/15/32/48/1137153248.db2.gz GHPKIVAXPCLGPZ-AWEZNQCLSA-N 1 1 344.377 3.653 20 30 EHEDMO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3cncc(Cl)c3)C2)cc1 ZINC001136997652 1137168515 /nfs/dbraw/zinc/16/85/15/1137168515.db2.gz ISZXDUGIHLEUOV-SFHVURJKSA-N 1 1 327.815 3.650 20 30 EHEDMO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3cncc(Cl)c3)C2)cc1 ZINC001136997652 1137168516 /nfs/dbraw/zinc/16/85/16/1137168516.db2.gz ISZXDUGIHLEUOV-SFHVURJKSA-N 1 1 327.815 3.650 20 30 EHEDMO CCC[N@@H+](C)[C@H](CNC(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000794500295 1137179638 /nfs/dbraw/zinc/17/96/38/1137179638.db2.gz UKZCBCIVIQJJBP-MRXNPFEDSA-N 1 1 345.830 3.618 20 30 EHEDMO C=CCn1c(C)nn(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1=S ZINC000863321307 1137181044 /nfs/dbraw/zinc/18/10/44/1137181044.db2.gz SQHFSYXHXSAZDY-OKZBNKHCSA-N 1 1 340.496 3.602 20 30 EHEDMO C=CCn1c(C)nn(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1=S ZINC000863321307 1137181045 /nfs/dbraw/zinc/18/10/45/1137181045.db2.gz SQHFSYXHXSAZDY-OKZBNKHCSA-N 1 1 340.496 3.602 20 30 EHEDMO C/C=C/C[C@@H]1CCC[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000863339578 1137181725 /nfs/dbraw/zinc/18/17/25/1137181725.db2.gz DKTLKAFQYKPTFM-REMYHPOOSA-N 1 1 335.455 3.761 20 30 EHEDMO C[N@@H+](CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C1CCC1 ZINC000863858380 1137205529 /nfs/dbraw/zinc/20/55/29/1137205529.db2.gz XKQAALDIIPZTQI-FQEVSTJZSA-N 1 1 333.435 3.765 20 30 EHEDMO COc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1OC(F)(F)F ZINC001143878796 1137208398 /nfs/dbraw/zinc/20/83/98/1137208398.db2.gz KFNJADREPKQDPY-GFCCVEGCSA-N 1 1 328.334 3.719 20 30 EHEDMO CC(C)O[C@@H](C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000844372151 1137213100 /nfs/dbraw/zinc/21/31/00/1137213100.db2.gz VNYDACBMYSWJBE-SFTDATJTSA-N 1 1 338.451 3.690 20 30 EHEDMO C[N@@H+](CCCSCc1ccccc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366734 1137215839 /nfs/dbraw/zinc/21/58/39/1137215839.db2.gz OPWNCHLOHUROSD-HXUWFJFHSA-N 1 1 340.492 3.847 20 30 EHEDMO C[C@@H](CC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)OCc1ccccc1 ZINC000844367364 1137215912 /nfs/dbraw/zinc/21/59/12/1137215912.db2.gz ANPXRQYGRLKORP-UWJYYQICSA-N 1 1 338.451 3.519 20 30 EHEDMO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](c3ccc(C)cc3C)C2)c1=S ZINC000794653483 1137223923 /nfs/dbraw/zinc/22/39/23/1137223923.db2.gz ABFJQXSBQNCLRM-KRWDZBQOSA-N 1 1 342.512 3.972 20 30 EHEDMO C=CCn1c(C)nn(C[N@H+]2CC[C@H](c3ccc(C)cc3C)C2)c1=S ZINC000794653483 1137223924 /nfs/dbraw/zinc/22/39/24/1137223924.db2.gz ABFJQXSBQNCLRM-KRWDZBQOSA-N 1 1 342.512 3.972 20 30 EHEDMO CCC[N@H+](Cc1cncc(C#N)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001144083552 1137237519 /nfs/dbraw/zinc/23/75/19/1137237519.db2.gz KDCOJGCMOULKNF-INIZCTEOSA-N 1 1 336.439 3.501 20 30 EHEDMO CCC[N@@H+](Cc1cncc(C#N)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001144083552 1137237521 /nfs/dbraw/zinc/23/75/21/1137237521.db2.gz KDCOJGCMOULKNF-INIZCTEOSA-N 1 1 336.439 3.501 20 30 EHEDMO C#CCCN(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000794801505 1137252126 /nfs/dbraw/zinc/25/21/26/1137252126.db2.gz BILDEEKDPXSYOS-JOCHJYFZSA-N 1 1 333.479 3.572 20 30 EHEDMO C#CCC[N@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000794801505 1137252127 /nfs/dbraw/zinc/25/21/27/1137252127.db2.gz BILDEEKDPXSYOS-JOCHJYFZSA-N 1 1 333.479 3.572 20 30 EHEDMO C#CCC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000794801505 1137252129 /nfs/dbraw/zinc/25/21/29/1137252129.db2.gz BILDEEKDPXSYOS-JOCHJYFZSA-N 1 1 333.479 3.572 20 30 EHEDMO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000794827137 1137267828 /nfs/dbraw/zinc/26/78/28/1137267828.db2.gz ICLDHUZTTMJBHL-CTNGQTDRSA-N 1 1 348.490 3.871 20 30 EHEDMO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000794827137 1137267830 /nfs/dbraw/zinc/26/78/30/1137267830.db2.gz ICLDHUZTTMJBHL-CTNGQTDRSA-N 1 1 348.490 3.871 20 30 EHEDMO C=C(Cc1ccccc1)C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001144389809 1137280969 /nfs/dbraw/zinc/28/09/69/1137280969.db2.gz CMRQUYJTEPVZDG-UHFFFAOYSA-N 1 1 338.495 3.652 20 30 EHEDMO [NH2+]=C(Nc1cccc2c1OC(F)(F)O2)c1ccc2cc(O)ccc2c1 ZINC001171184470 1137293998 /nfs/dbraw/zinc/29/39/98/1137293998.db2.gz LCKUZTJUCRUZIK-UHFFFAOYSA-N 1 1 342.301 3.904 20 30 EHEDMO N#CCCCC(=O)Oc1cccc(C[N@H+]2CCc3ccccc3C2)c1 ZINC000845720185 1137306383 /nfs/dbraw/zinc/30/63/83/1137306383.db2.gz IQGRLSHIIBGMLL-UHFFFAOYSA-N 1 1 334.419 3.844 20 30 EHEDMO N#CC1(CC(=O)Oc2cccc(C[N@H+]3CCc4ccccc4C3)c2)CC1 ZINC000845720261 1137306545 /nfs/dbraw/zinc/30/65/45/1137306545.db2.gz KPIHNZBFOUAHRX-UHFFFAOYSA-N 1 1 346.430 3.844 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(N)(c2ccc(F)cc2)CC1 ZINC001171198175 1137307909 /nfs/dbraw/zinc/30/79/09/1137307909.db2.gz IHCSBEKDLPUXJF-INIZCTEOSA-N 1 1 337.442 3.578 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)CC[C@@H]2C)cc1 ZINC001144568344 1137311338 /nfs/dbraw/zinc/31/13/38/1137311338.db2.gz RJPYOPXZTSJDQB-QFBILLFUSA-N 1 1 342.483 3.793 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1 ZINC001144581556 1137311509 /nfs/dbraw/zinc/31/15/09/1137311509.db2.gz WMJLEUFAKXJROM-OAQYLSRUSA-N 1 1 342.483 3.795 20 30 EHEDMO N#CC1(C[NH2+]Cc2ccc(C(=O)OCc3ccccc3)[nH]2)CCCC1 ZINC000846010376 1137325784 /nfs/dbraw/zinc/32/57/84/1137325784.db2.gz KVJKXSHELYTUBJ-UHFFFAOYSA-N 1 1 337.423 3.545 20 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ZINC001172356171 1137554071 /nfs/dbraw/zinc/55/40/71/1137554071.db2.gz UUXPLBNAXCHVPR-BHIYHBOVSA-N 1 1 346.519 3.739 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@H+]1[C@H]2COC[C@@H]1C[C@@H](C(=O)OC)C2 ZINC001172356820 1137554099 /nfs/dbraw/zinc/55/40/99/1137554099.db2.gz YKBCYLGEOWBPJH-ZJPYXAASSA-N 1 1 325.493 3.778 20 30 EHEDMO CCCCCCC[C@H](CC)[N@H+]1[C@H]2COC[C@@H]1C[C@H](C(=O)OC)C2 ZINC001172356819 1137554266 /nfs/dbraw/zinc/55/42/66/1137554266.db2.gz YKBCYLGEOWBPJH-XLAORIBOSA-N 1 1 325.493 3.778 20 30 EHEDMO COc1cccc(C2CC[NH+](Cc3cc(C#N)cnc3Cl)CC2)c1 ZINC000876657620 1137658410 /nfs/dbraw/zinc/65/84/10/1137658410.db2.gz PNKVCWVSXJBUED-UHFFFAOYSA-N 1 1 341.842 3.995 20 30 EHEDMO COc1ccccc1C[C@H](C)[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876691359 1137659174 /nfs/dbraw/zinc/65/91/74/1137659174.db2.gz BYUXUKQUFDWEIF-ZDUSSCGKSA-N 1 1 329.831 3.678 20 30 EHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876691359 1137659175 /nfs/dbraw/zinc/65/91/75/1137659175.db2.gz BYUXUKQUFDWEIF-ZDUSSCGKSA-N 1 1 329.831 3.678 20 30 EHEDMO C=C(Br)CN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877020094 1137667850 /nfs/dbraw/zinc/66/78/50/1137667850.db2.gz KPHJNRDVWUPYHT-NVXWUHKLSA-N 1 1 335.289 3.853 20 30 EHEDMO N#CCOc1ccc(C[N@@H+](Cc2ccccc2)C2CCOCC2)cc1 ZINC001137120642 1137677622 /nfs/dbraw/zinc/67/76/22/1137677622.db2.gz YNLNAYDAWQSWFJ-UHFFFAOYSA-N 1 1 336.435 3.770 20 30 EHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1c(C2CC2)nc2sccn12 ZINC000877704546 1137686472 /nfs/dbraw/zinc/68/64/72/1137686472.db2.gz QLRYEMYJGHILEO-UHFFFAOYSA-N 1 1 336.464 3.819 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877822600 1137692001 /nfs/dbraw/zinc/69/20/01/1137692001.db2.gz ROCPIXQYVZUWAJ-CJNGLKHVSA-N 1 1 338.373 3.783 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000877957721 1137697055 /nfs/dbraw/zinc/69/70/55/1137697055.db2.gz NJBOLPDZNIJSPI-HXUWFJFHSA-N 1 1 342.389 3.837 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000877957721 1137697056 /nfs/dbraw/zinc/69/70/56/1137697056.db2.gz NJBOLPDZNIJSPI-HXUWFJFHSA-N 1 1 342.389 3.837 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000877962052 1137697337 /nfs/dbraw/zinc/69/73/37/1137697337.db2.gz WVUFSFPKPILYMK-FQEVSTJZSA-N 1 1 342.483 3.746 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)C1Cc2ccccc2C1)c1ccccc1 ZINC000877991560 1137698779 /nfs/dbraw/zinc/69/87/79/1137698779.db2.gz BEUIKKHPGPPSEX-JOCHJYFZSA-N 1 1 332.447 3.526 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@@H+](C)CCc1ccccc1F)c1ccccc1 ZINC000878092792 1137702124 /nfs/dbraw/zinc/70/21/24/1137702124.db2.gz XRKJAZNMBSQKOA-NRFANRHFSA-N 1 1 338.426 3.741 20 30 EHEDMO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1(CC#N)CC1 ZINC000878273899 1137709292 /nfs/dbraw/zinc/70/92/92/1137709292.db2.gz SXGFVWRJTKGTQA-MQVJKMGUSA-N 1 1 333.476 3.590 20 30 EHEDMO C[N@@H+](CCCOc1ccc(Cl)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000127222915 1137721564 /nfs/dbraw/zinc/72/15/64/1137721564.db2.gz RXNPTRWWGSAOEP-IBGZPJMESA-N 1 1 344.842 3.646 20 30 EHEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000878906727 1137731780 /nfs/dbraw/zinc/73/17/80/1137731780.db2.gz PAVONJJECGOPMZ-MRXNPFEDSA-N 1 1 332.382 3.630 20 30 EHEDMO CC(C)Oc1ccccc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001137139408 1137733335 /nfs/dbraw/zinc/73/33/35/1137733335.db2.gz VMXKWRBCWNPMRH-UHFFFAOYSA-N 1 1 335.451 3.668 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879690096 1137755405 /nfs/dbraw/zinc/75/54/05/1137755405.db2.gz HADSROZLJOIJHT-IBGZPJMESA-N 1 1 346.478 3.867 20 30 EHEDMO Cc1cccc2c(C[N@H+]3CCC[C@@H](Oc4cccc(C#N)c4)C3)[nH]nc21 ZINC001137149110 1137764438 /nfs/dbraw/zinc/76/44/38/1137764438.db2.gz FRWOREDWPXGZDP-GOSISDBHSA-N 1 1 346.434 3.786 20 30 EHEDMO CC(=O)Nc1ccc2c(c1)C[N@H+](CCC1(C#N)CCCCC1)CC2 ZINC000880032630 1137766141 /nfs/dbraw/zinc/76/61/41/1137766141.db2.gz GTJMVPIUFXBUFI-UHFFFAOYSA-N 1 1 325.456 3.867 20 30 EHEDMO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880098883 1137768130 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EHEDMO C=CCC1(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CCC1 ZINC000882395193 1137826252 /nfs/dbraw/zinc/82/62/52/1137826252.db2.gz RQZMBUCPJHHOLB-LJQANCHMSA-N 1 1 339.483 3.656 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2NCc2ccc(C#N)s2)C[C@H](C)O1 ZINC000119480710 1137942137 /nfs/dbraw/zinc/94/21/37/1137942137.db2.gz XUBLNOZYHAYUPE-GASCZTMLSA-N 1 1 341.480 3.841 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccccc2NCc2ccc(C#N)s2)C[C@H](C)O1 ZINC000119480710 1137942138 /nfs/dbraw/zinc/94/21/38/1137942138.db2.gz XUBLNOZYHAYUPE-GASCZTMLSA-N 1 1 341.480 3.841 20 30 EHEDMO COc1cccc(C[N@@H+](Cc2ccc(C#N)s2)C[C@H]2CCCO2)c1 ZINC000120276499 1137948003 /nfs/dbraw/zinc/94/80/03/1137948003.db2.gz YDCLULNFMIHEKF-QGZVFWFLSA-N 1 1 342.464 3.810 20 30 EHEDMO COc1cccc(C[N@H+](Cc2ccc(C#N)s2)C[C@H]2CCCO2)c1 ZINC000120276499 1137948004 /nfs/dbraw/zinc/94/80/04/1137948004.db2.gz YDCLULNFMIHEKF-QGZVFWFLSA-N 1 1 342.464 3.810 20 30 EHEDMO C[N@H+](Cc1cccc(Cl)c1Cl)C[C@H](O)CC1(C#N)CCC1 ZINC000885931047 1138026226 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EHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCc3ccc(C(F)(F)F)cc3C2)CCC1 ZINC000886303702 1138066129 /nfs/dbraw/zinc/06/61/29/1138066129.db2.gz DFLBDHZECOJKLQ-MRXNPFEDSA-N 1 1 338.373 3.508 20 30 EHEDMO C=CCC1(O)CC[NH+](Cc2coc(-c3c(F)cccc3F)n2)CC1 ZINC000886774061 1138138086 /nfs/dbraw/zinc/13/80/86/1138138086.db2.gz HDLKAKOGLNHESC-UHFFFAOYSA-N 1 1 334.366 3.523 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000084137543 1138177722 /nfs/dbraw/zinc/17/77/22/1138177722.db2.gz HGDIMAAFZUVTPM-UHFFFAOYSA-N 1 1 342.361 3.610 20 30 EHEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000091334275 1138218538 /nfs/dbraw/zinc/21/85/38/1138218538.db2.gz PPTGNEBVIVTTHE-CQSZACIVSA-N 1 1 346.906 3.918 20 30 EHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)CCCF)c1C#N ZINC000887139998 1138221089 /nfs/dbraw/zinc/22/10/89/1138221089.db2.gz MKCKCEZIYPLNJI-UHFFFAOYSA-N 1 1 348.466 3.712 20 30 EHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)CCCF)c1C#N ZINC000887139998 1138221090 /nfs/dbraw/zinc/22/10/90/1138221090.db2.gz MKCKCEZIYPLNJI-UHFFFAOYSA-N 1 1 348.466 3.712 20 30 EHEDMO C=CCOc1ccc(C[NH+]2CCC(c3nc(C)no3)CC2)cc1Cl ZINC000091833730 1138222005 /nfs/dbraw/zinc/22/20/05/1138222005.db2.gz JUUXNNYBRWTNKJ-UHFFFAOYSA-N 1 1 347.846 3.976 20 30 EHEDMO C=C(Br)CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000717492101 1138246378 /nfs/dbraw/zinc/24/63/78/1138246378.db2.gz BEKSOHXVLBAXJA-UHFFFAOYSA-N 1 1 337.305 3.739 20 30 EHEDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CCCCC#N)C2)cc1 ZINC000263916851 1138391817 /nfs/dbraw/zinc/39/18/17/1138391817.db2.gz PZORFHYEYJSWDQ-QGZVFWFLSA-N 1 1 328.460 3.522 20 30 EHEDMO N#CC1(CCC[N@H+](Cc2cc[nH]n2)Cc2ccccc2)CCOCC1 ZINC000337175134 1138485954 /nfs/dbraw/zinc/48/59/54/1138485954.db2.gz ILMCWKIHCNRYMV-UHFFFAOYSA-N 1 1 338.455 3.512 20 30 EHEDMO N#CC1(CCC[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)CCOCC1 ZINC000337175134 1138485956 /nfs/dbraw/zinc/48/59/56/1138485956.db2.gz ILMCWKIHCNRYMV-UHFFFAOYSA-N 1 1 338.455 3.512 20 30 EHEDMO C=CCCCN(C)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000151123538 1139010441 /nfs/dbraw/zinc/01/04/41/1139010441.db2.gz GOPJMNURIMQXLV-MRXNPFEDSA-N 1 1 331.460 3.510 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152791602 1139108849 /nfs/dbraw/zinc/10/88/49/1139108849.db2.gz MSHVOOKOTXDMKD-HRCADAONSA-N 1 1 343.496 3.751 20 30 EHEDMO N#CC(CC[N@@H+]1CCC[C@@H](CO)C1)(c1ccccc1)c1ccccc1 ZINC000176002127 1139533952 /nfs/dbraw/zinc/53/39/52/1139533952.db2.gz ANCIAWOEWHXZEV-LJQANCHMSA-N 1 1 334.463 3.591 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccccc2NCc2cccc(C#N)c2)C[C@H](C)O1 ZINC000178297793 1139684562 /nfs/dbraw/zinc/68/45/62/1139684562.db2.gz DVESJDICIQLENF-CALCHBBNSA-N 1 1 335.451 3.780 20 30 EHEDMO Cn1cc(C[N@H+](CCC#N)CC(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000180078007 1139807043 /nfs/dbraw/zinc/80/70/43/1139807043.db2.gz SBWYXELPAJGZPN-UHFFFAOYSA-N 1 1 335.455 3.721 20 30 EHEDMO Cn1cc(C[N@@H+](CCC#N)CC(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000180078007 1139807048 /nfs/dbraw/zinc/80/70/48/1139807048.db2.gz SBWYXELPAJGZPN-UHFFFAOYSA-N 1 1 335.455 3.721 20 30 EHEDMO CCC[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(F)cc1F ZINC000181672817 1139923417 /nfs/dbraw/zinc/92/34/17/1139923417.db2.gz PRDNOYZKUKHCAH-OAHLLOKOSA-N 1 1 349.406 3.967 20 30 EHEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000183483257 1140041982 /nfs/dbraw/zinc/04/19/82/1140041982.db2.gz VRFONJCNSNINCT-LBPRGKRZSA-N 1 1 344.386 3.574 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+](C)CCc2ccncc2)ccc1OC ZINC000183753993 1140056198 /nfs/dbraw/zinc/05/61/98/1140056198.db2.gz RTNBSLJKUDHSFF-UHFFFAOYSA-N 1 1 326.440 3.720 20 30 EHEDMO CC[C@@H](CC#N)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000184081395 1140077982 /nfs/dbraw/zinc/07/79/82/1140077982.db2.gz BUEUHAYDSJFSQX-FQEVSTJZSA-N 1 1 345.450 3.775 20 30 EHEDMO CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000185802372 1140170596 /nfs/dbraw/zinc/17/05/96/1140170596.db2.gz DHDMYWMKDNBSPV-LJQANCHMSA-N 1 1 344.418 3.945 20 30 EHEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000185802372 1140170598 /nfs/dbraw/zinc/17/05/98/1140170598.db2.gz DHDMYWMKDNBSPV-LJQANCHMSA-N 1 1 344.418 3.945 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000186395463 1140201772 /nfs/dbraw/zinc/20/17/72/1140201772.db2.gz HZLUWFFJWLGPTP-KRWDZBQOSA-N 1 1 335.451 3.588 20 30 EHEDMO C[C@@H](NCc1ccc(Cl)cc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000187490168 1140257501 /nfs/dbraw/zinc/25/75/01/1140257501.db2.gz BIJRNHDCPJUUGL-GDBMZVCRSA-N 1 1 331.891 3.954 20 30 EHEDMO C=CCC1(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CCC1 ZINC000191684505 1140479375 /nfs/dbraw/zinc/47/93/75/1140479375.db2.gz VKUKSBZFEKTVHM-UHFFFAOYSA-N 1 1 330.447 3.606 20 30 EHEDMO C=CCC1(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CCC1 ZINC000191684505 1140479377 /nfs/dbraw/zinc/47/93/77/1140479377.db2.gz VKUKSBZFEKTVHM-UHFFFAOYSA-N 1 1 330.447 3.606 20 30 EHEDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000266917948 1140738203 /nfs/dbraw/zinc/73/82/03/1140738203.db2.gz HAXTWMHBNWQYDZ-HOCLYGCPSA-N 1 1 339.464 3.511 20 30 EHEDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000266917948 1140738207 /nfs/dbraw/zinc/73/82/07/1140738207.db2.gz HAXTWMHBNWQYDZ-HOCLYGCPSA-N 1 1 339.464 3.511 20 30 EHEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c2ccccc21 ZINC000266949600 1140742178 /nfs/dbraw/zinc/74/21/78/1140742178.db2.gz ZECQDULWDRHIRO-HXUWFJFHSA-N 1 1 346.434 3.903 20 30 EHEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c2ccccc21 ZINC000266949600 1140742182 /nfs/dbraw/zinc/74/21/82/1140742182.db2.gz ZECQDULWDRHIRO-HXUWFJFHSA-N 1 1 346.434 3.903 20 30 EHEDMO C=C(C)C[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268917402 1141024780 /nfs/dbraw/zinc/02/47/80/1141024780.db2.gz VMWZFXFQKGFNBT-UGKGYDQZSA-N 1 1 341.543 3.670 20 30 EHEDMO CC(C)OCCC[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000271191599 1141322284 /nfs/dbraw/zinc/32/22/84/1141322284.db2.gz LSMIBALYECQGBL-UHFFFAOYSA-N 1 1 340.471 3.711 20 30 EHEDMO CN(CCC#N)c1ccc(CNc2[nH+]c3ccc(F)cc3n2C)cc1 ZINC000274381551 1141509941 /nfs/dbraw/zinc/50/99/41/1141509941.db2.gz QPRHZUJMLJWELD-UHFFFAOYSA-N 1 1 337.402 3.674 20 30 EHEDMO N#Cc1csc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000348866619 1141599359 /nfs/dbraw/zinc/59/93/59/1141599359.db2.gz GORYYLUBWSMFFA-UHFFFAOYSA-N 1 1 341.411 3.674 20 30 EHEDMO C=C(C)C[N@@H+](CC)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000053778632 214197631 /nfs/dbraw/zinc/19/76/31/214197631.db2.gz LUTJRPSIWXJAOY-UHFFFAOYSA-N 1 1 330.331 3.603 20 30 EHEDMO C=C(C)C[N@H+](CC)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000053778632 214197633 /nfs/dbraw/zinc/19/76/33/214197633.db2.gz LUTJRPSIWXJAOY-UHFFFAOYSA-N 1 1 330.331 3.603 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2cccnc21 ZINC000063754026 201050819 /nfs/dbraw/zinc/05/08/19/201050819.db2.gz KKPGPSSGUJUBFU-UHFFFAOYSA-N 1 1 331.419 3.755 20 30 EHEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@H]2C)ccc1Cl ZINC000096994088 201377906 /nfs/dbraw/zinc/37/79/06/201377906.db2.gz NNVCZRIJZPXNIH-OAHLLOKOSA-N 1 1 333.863 3.770 20 30 EHEDMO C[N@@H+](Cc1ccccn1)[C@H]1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000275601918 564009552 /nfs/dbraw/zinc/00/95/52/564009552.db2.gz IIFSVUIVAARYNK-KRWDZBQOSA-N 1 1 340.496 3.501 20 30 EHEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H](C)c1ccccc1 ZINC000735425774 599207132 /nfs/dbraw/zinc/20/71/32/599207132.db2.gz GNSDVRFZDQDJON-INIZCTEOSA-N 1 1 333.439 3.658 20 30 EHEDMO CC(C)C[N@@H+](CCCC(C)(C)C#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820087144 945346201 /nfs/dbraw/zinc/34/62/01/945346201.db2.gz LXFSNSVAEMIJNT-UHFFFAOYSA-N 1 1 340.475 3.655 20 30 EHEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001573342334 947542544 /nfs/dbraw/zinc/54/25/44/947542544.db2.gz WPFPORZWWTWZEG-MOPGFXCFSA-N 1 1 349.413 3.550 20 30 EHEDMO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(OC)c1 ZINC000536666076 1032088320 /nfs/dbraw/zinc/08/83/20/1032088320.db2.gz DJYXWJRKQVWXGZ-WOJBJXKFSA-N 1 1 336.435 3.976 20 30 EHEDMO COc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(OC)c1 ZINC000536666076 1032088328 /nfs/dbraw/zinc/08/83/28/1032088328.db2.gz DJYXWJRKQVWXGZ-WOJBJXKFSA-N 1 1 336.435 3.976 20 30 EHEDMO Cc1cc2cc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)oc2cc1C ZINC000430166519 1014529082 /nfs/dbraw/zinc/52/90/82/1014529082.db2.gz RBIHKLCPEYITBF-GOSISDBHSA-N 1 1 347.418 3.970 20 30 EHEDMO CSc1ccc([C@H](CNCc2ccc(C#N)cc2F)[NH+](C)C)cc1 ZINC000339590230 1015090176 /nfs/dbraw/zinc/09/01/76/1015090176.db2.gz GVGIGXLWDQVGHD-IBGZPJMESA-N 1 1 343.471 3.812 20 30 EHEDMO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)nnn1-c1ccc(F)cc1 ZINC000154334501 1015381163 /nfs/dbraw/zinc/38/11/63/1015381163.db2.gz LVPOWXLVWGMNJD-UONOGXRCSA-N 1 1 349.413 3.998 20 30 EHEDMO C[C@H]1CN(CCCc2cccc(C#N)c2)CC[N@H+]1C1CCCCC1 ZINC001208860306 1015424900 /nfs/dbraw/zinc/42/49/00/1015424900.db2.gz KBFOFLIMWUQBHU-SFHVURJKSA-N 1 1 325.500 3.830 20 30 EHEDMO Fc1ccccc1OCC[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076181464 1032116703 /nfs/dbraw/zinc/11/67/03/1032116703.db2.gz PYZPDWZRVBXVNR-NXEZZACHSA-N 1 1 345.258 3.877 20 30 EHEDMO CC1(C#N)CC[NH+](Cc2ccc(OCc3ccccc3F)nc2)CC1 ZINC000274872131 1015551516 /nfs/dbraw/zinc/55/15/16/1015551516.db2.gz XLJPWUCRBLFSTI-UHFFFAOYSA-N 1 1 339.414 3.925 20 30 EHEDMO C#C[C@H]1CCCCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000890649560 1015587703 /nfs/dbraw/zinc/58/77/03/1015587703.db2.gz FCDSRRAXPCPSRQ-ROUUACIJSA-N 1 1 339.483 3.508 20 30 EHEDMO C=CC[NH+](CC=C)[C@H](CN[C@@H](C)c1nc2ccccc2n1C)C(C)C ZINC000538059387 1032122692 /nfs/dbraw/zinc/12/26/92/1032122692.db2.gz DAVXXOFDVXJDLB-FXAWDEMLSA-N 1 1 340.515 3.923 20 30 EHEDMO C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000183101482 1032131839 /nfs/dbraw/zinc/13/18/39/1032131839.db2.gz YEYYFDKUJIUVKU-CVEARBPZSA-N 1 1 341.455 3.571 20 30 EHEDMO C=CCOc1ccc(C[NH2+]Cc2ccc(C(=O)OCC)o2)cc1Cl ZINC000589197415 1016633561 /nfs/dbraw/zinc/63/35/61/1016633561.db2.gz JUDJLKAWZZEESI-UHFFFAOYSA-N 1 1 349.814 3.964 20 30 EHEDMO CCC[N@@H+](CC(C)C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC001167255408 1016781925 /nfs/dbraw/zinc/78/19/25/1016781925.db2.gz GZXIRTJHWAXNCK-INIZCTEOSA-N 1 1 333.451 3.829 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc(CC(=O)Nc2cccc(Cl)c2C)no1 ZINC000904680495 1032177404 /nfs/dbraw/zinc/17/74/04/1032177404.db2.gz BTUXBBROOSWVJI-ZDUSSCGKSA-N 1 1 348.834 3.569 20 30 EHEDMO CCCCCCCC[C@@H]([NH3+])c1nc(-c2cnn(C)c2Cl)no1 ZINC000904735843 1032223210 /nfs/dbraw/zinc/22/32/10/1032223210.db2.gz LYUYEUVRFHQIPG-GFCCVEGCSA-N 1 1 325.844 3.874 20 30 EHEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459583765 1032283417 /nfs/dbraw/zinc/28/34/17/1032283417.db2.gz UCTQUDVPPKHFPX-PXNSSMCTSA-N 1 1 339.483 3.612 20 30 EHEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459583765 1032283429 /nfs/dbraw/zinc/28/34/29/1032283429.db2.gz UCTQUDVPPKHFPX-PXNSSMCTSA-N 1 1 339.483 3.612 20 30 EHEDMO C=C(C)C[C@H](C)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000185156044 1032355508 /nfs/dbraw/zinc/35/55/08/1032355508.db2.gz NQZDTRYOFHMQAX-RCCFBDPRSA-N 1 1 344.499 3.514 20 30 EHEDMO C=CCc1cc(C[NH2+][C@H](C)c2nc3c(s2)CCC3)cc(OC)c1O ZINC000459653322 1032376860 /nfs/dbraw/zinc/37/68/60/1032376860.db2.gz RJCCFNKNVLLXAF-GFCCVEGCSA-N 1 1 344.480 3.925 20 30 EHEDMO CC[N@@H+](CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C1CC1 ZINC000343778203 1032381069 /nfs/dbraw/zinc/38/10/69/1032381069.db2.gz JZSVCYFFGWSDLG-UHFFFAOYSA-N 1 1 349.434 3.565 20 30 EHEDMO Cc1cc(C)c(C[S@@](=O)Cc2c(C)cc(C#N)cc2C)c(C)[nH+]1 ZINC000905207612 1032384521 /nfs/dbraw/zinc/38/45/21/1032384521.db2.gz MJVVVCCLFCBTTM-QHCPKHFHSA-N 1 1 326.465 3.944 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(Oc3cccc(F)c3)CC2)c(F)c1 ZINC000528574587 1032455960 /nfs/dbraw/zinc/45/59/60/1032455960.db2.gz RSRQCKYLJKWIMS-UHFFFAOYSA-N 1 1 328.362 3.880 20 30 EHEDMO C[C@@H]1[C@@H](NC(=O)CC2(C#N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000597654136 1032591072 /nfs/dbraw/zinc/59/10/72/1032591072.db2.gz QMQBIRKLGBXRKM-MJGOQNOKSA-N 1 1 339.483 3.630 20 30 EHEDMO C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000062500390 1032600466 /nfs/dbraw/zinc/60/04/66/1032600466.db2.gz DKJNGEHKDHMTCJ-MOPGFXCFSA-N 1 1 343.515 3.547 20 30 EHEDMO C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000602131139 1032662626 /nfs/dbraw/zinc/66/26/26/1032662626.db2.gz RBBAVNAOLYOGGS-AEFFLSMTSA-N 1 1 347.462 3.744 20 30 EHEDMO CC(C)(CCC#N)CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000377162252 1017385166 /nfs/dbraw/zinc/38/51/66/1017385166.db2.gz KPQOFBDXFQVVTH-SFHVURJKSA-N 1 1 345.462 3.626 20 30 EHEDMO CC(C)(CCC#N)CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000377162252 1017385178 /nfs/dbraw/zinc/38/51/78/1017385178.db2.gz KPQOFBDXFQVVTH-SFHVURJKSA-N 1 1 345.462 3.626 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2c(C#N)cnc3ccccc32)C1 ZINC000610281854 1017614190 /nfs/dbraw/zinc/61/41/90/1017614190.db2.gz RTNIARCGWBMGJO-LJQANCHMSA-N 1 1 342.446 3.817 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccncc3)C2)c(Br)c1 ZINC000593987340 1032726736 /nfs/dbraw/zinc/72/67/36/1032726736.db2.gz NNWZUIHVOJPHBA-HNNXBMFYSA-N 1 1 342.240 3.705 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000275702111 1018201004 /nfs/dbraw/zinc/20/10/04/1018201004.db2.gz QRFHWGOSCWEHQW-HDMKZQKVSA-N 1 1 343.471 3.854 20 30 EHEDMO Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000365657652 1018201910 /nfs/dbraw/zinc/20/19/10/1018201910.db2.gz MNLIWSDPBXSUEQ-LJQANCHMSA-N 1 1 348.450 3.605 20 30 EHEDMO Cc1ccc(C#N)cc1NC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000579480058 1018774141 /nfs/dbraw/zinc/77/41/41/1018774141.db2.gz LFJGSTYHIIUWPG-OAQYLSRUSA-N 1 1 348.450 3.653 20 30 EHEDMO C[C@@H]1CC(F)(F)CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000528771049 1032790248 /nfs/dbraw/zinc/79/02/48/1032790248.db2.gz RZZYQVZIOZKVON-LLVKDONJSA-N 1 1 341.789 3.660 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000614397208 1018958870 /nfs/dbraw/zinc/95/88/70/1018958870.db2.gz BOYQOQDBOFOBDJ-IBGZPJMESA-N 1 1 334.419 3.975 20 30 EHEDMO Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC[C@H]1CCCC[N@@H+]1C ZINC000340706127 1019523845 /nfs/dbraw/zinc/52/38/45/1019523845.db2.gz GBLDIWZTRTYWFR-OAHLLOKOSA-N 1 1 343.858 3.709 20 30 EHEDMO CCc1ccc([C@@H]2CCC[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)cc1 ZINC000513371651 1019591674 /nfs/dbraw/zinc/59/16/74/1019591674.db2.gz PNJJAMKNKMFJOQ-NHCUHLMSSA-N 1 1 347.462 3.527 20 30 EHEDMO COc1ccc([C@@H](C)[N@@H+](C)CCC(=O)Nc2ccccc2C#N)cc1 ZINC000063492308 1020344542 /nfs/dbraw/zinc/34/45/42/1020344542.db2.gz QYELYOSVTGSFFK-OAHLLOKOSA-N 1 1 337.423 3.588 20 30 EHEDMO COc1ccc(C[NH2+]C[C@H](C#N)CCC#N)cc1OC1CCCC1 ZINC000581090255 1020416944 /nfs/dbraw/zinc/41/69/44/1020416944.db2.gz AZPOWLMYAWHNNV-INIZCTEOSA-N 1 1 327.428 3.550 20 30 EHEDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000280499623 1020418629 /nfs/dbraw/zinc/41/86/29/1020418629.db2.gz MWWBYUCQDBKRPV-INIZCTEOSA-N 1 1 337.261 3.712 20 30 EHEDMO COc1ccc(C[N@@H+]2CCOCC23CCCC3)cc1OCCCC#N ZINC000093840736 1032909257 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CCC(CC)[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)N1CCCC1 ZINC000602513055 1032947652 /nfs/dbraw/zinc/94/76/52/1032947652.db2.gz ZAENPRQAZJOKCD-HKUYNNGSSA-N 1 1 335.536 3.576 20 30 EHEDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)C12CCC2 ZINC000449635604 1032970084 /nfs/dbraw/zinc/97/00/84/1032970084.db2.gz UUTSNGPXOCQOIZ-OALUTQOASA-N 1 1 328.456 3.759 20 30 EHEDMO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602567975 1032977807 /nfs/dbraw/zinc/97/78/07/1032977807.db2.gz HJEFVOWIWPHWNA-UHFFFAOYSA-N 1 1 331.423 3.552 20 30 EHEDMO N#Cc1ccc(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c(Cl)c1 ZINC000439432590 1021435207 /nfs/dbraw/zinc/43/52/07/1021435207.db2.gz UHVQBWHPYFMZSA-JKSUJKDBSA-N 1 1 336.888 3.698 20 30 EHEDMO N#Cc1ccc(CN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c(Cl)c1 ZINC000439459278 1021445346 /nfs/dbraw/zinc/44/53/46/1021445346.db2.gz GFVQTZNTPNNUIG-OAHLLOKOSA-N 1 1 341.846 3.587 20 30 EHEDMO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1ccc(CC#N)cc1)C2 ZINC000439484373 1021493481 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CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCCC#N)[C@H]2CCCC[C@@H]12 ZINC000439981410 1021875539 /nfs/dbraw/zinc/87/55/39/1021875539.db2.gz HKZSLKRPQFUEPN-FKSLSLAPSA-N 1 1 333.520 3.864 20 30 EHEDMO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2ccccc2Cl)c(C#N)c1C ZINC000140550592 1021896105 /nfs/dbraw/zinc/89/61/05/1021896105.db2.gz XGVIQMBVPJLWDG-NSHDSACASA-N 1 1 331.803 3.711 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000440132577 1021971905 /nfs/dbraw/zinc/97/19/05/1021971905.db2.gz BZHOLKOYHPBJNJ-LJQANCHMSA-N 1 1 328.456 3.987 20 30 EHEDMO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](CC)c1ccccc1 ZINC000520172800 1021988341 /nfs/dbraw/zinc/98/83/41/1021988341.db2.gz ZXFBOCGMIDKDAZ-AZUAARDMSA-N 1 1 327.472 3.658 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)s1)C[C@@H]1COc2ccccc2O1 ZINC000506790354 1022021875 /nfs/dbraw/zinc/02/18/75/1022021875.db2.gz ZIIBKJMRERFYLL-CQSZACIVSA-N 1 1 328.437 3.672 20 30 EHEDMO CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000438496604 1022099179 /nfs/dbraw/zinc/09/91/79/1022099179.db2.gz USBFKMZHFSKXIR-ZIAGYGMSSA-N 1 1 345.512 3.948 20 30 EHEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000441339032 1022159305 /nfs/dbraw/zinc/15/93/05/1022159305.db2.gz HAGGVFMENHSAJX-CTNGQTDRSA-N 1 1 343.515 3.693 20 30 EHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000441415178 1022228814 /nfs/dbraw/zinc/22/88/14/1022228814.db2.gz ALOGPMQKHXCYKL-INIZCTEOSA-N 1 1 333.435 3.883 20 30 EHEDMO N#Cc1cccc(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c1F ZINC000517344045 1022269071 /nfs/dbraw/zinc/26/90/71/1022269071.db2.gz XBTZHLJRFJIAIA-UHFFFAOYSA-N 1 1 345.368 3.688 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c1F ZINC000517344045 1022269079 /nfs/dbraw/zinc/26/90/79/1022269079.db2.gz XBTZHLJRFJIAIA-UHFFFAOYSA-N 1 1 345.368 3.688 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1csc(C#N)c1)CC2 ZINC000894979925 1022332939 /nfs/dbraw/zinc/33/29/39/1022332939.db2.gz AQTUJHJEWGJJFW-UHFFFAOYSA-N 1 1 347.484 3.595 20 30 EHEDMO C=CCOCC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000550105373 1022451431 /nfs/dbraw/zinc/45/14/31/1022451431.db2.gz BQCRUBGVTZIFPG-CZUORRHYSA-N 1 1 329.362 3.670 20 30 EHEDMO C=CCOCC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000550105373 1022451437 /nfs/dbraw/zinc/45/14/37/1022451437.db2.gz BQCRUBGVTZIFPG-CZUORRHYSA-N 1 1 329.362 3.670 20 30 EHEDMO C[C@]1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCC(=O)NC1 ZINC000328634165 1022452176 /nfs/dbraw/zinc/45/21/76/1022452176.db2.gz BIMAZKXBKKBIBY-KSSFIOAISA-N 1 1 349.500 3.673 20 30 EHEDMO CC[C@H](C)n1ncc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1C1CC1 ZINC000328851271 1022515080 /nfs/dbraw/zinc/51/50/80/1022515080.db2.gz VAFBFGLRGQXQES-XKQJLSEDSA-N 1 1 330.476 3.663 20 30 EHEDMO C[C@H](CCC#N)C[N@@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000602662474 1033060171 /nfs/dbraw/zinc/06/01/71/1033060171.db2.gz GNVLFENRJRSIQX-CZUORRHYSA-N 1 1 342.361 3.898 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000602662474 1033060186 /nfs/dbraw/zinc/06/01/86/1033060186.db2.gz GNVLFENRJRSIQX-CZUORRHYSA-N 1 1 342.361 3.898 20 30 EHEDMO CC(C)Oc1ccc(F)cc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000328886602 1022526522 /nfs/dbraw/zinc/52/65/22/1022526522.db2.gz OBANHMHLKWLOLP-ZBFHGGJFSA-N 1 1 335.423 3.566 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000441484565 1022551077 /nfs/dbraw/zinc/55/10/77/1022551077.db2.gz JTFSJKPQZWETCB-AZUAARDMSA-N 1 1 339.483 3.815 20 30 EHEDMO C[NH+](C)C1(CNCc2cccc(OCc3cccc(C#N)c3)c2)CCC1 ZINC000438339516 1022578043 /nfs/dbraw/zinc/57/80/43/1022578043.db2.gz IGMLNBPDOCGNNE-UHFFFAOYSA-N 1 1 349.478 3.711 20 30 EHEDMO CC[C@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000438500002 1022730111 /nfs/dbraw/zinc/73/01/11/1022730111.db2.gz HJZGSFXYIKOLJM-ZDUSSCGKSA-N 1 1 331.485 3.559 20 30 EHEDMO CC[C@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000438500002 1022730115 /nfs/dbraw/zinc/73/01/15/1022730115.db2.gz HJZGSFXYIKOLJM-ZDUSSCGKSA-N 1 1 331.485 3.559 20 30 EHEDMO C[C@@H]1C[C@@H]1c1ccc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000506260717 1022742291 /nfs/dbraw/zinc/74/22/91/1022742291.db2.gz ZQOWTKGSDRMQIE-UTKZUKDTSA-N 1 1 349.478 3.983 20 30 EHEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000506260717 1022742304 /nfs/dbraw/zinc/74/23/04/1022742304.db2.gz ZQOWTKGSDRMQIE-UTKZUKDTSA-N 1 1 349.478 3.983 20 30 EHEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000506260717 1022742314 /nfs/dbraw/zinc/74/23/14/1022742314.db2.gz ZQOWTKGSDRMQIE-UTKZUKDTSA-N 1 1 349.478 3.983 20 30 EHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000331271889 1022771883 /nfs/dbraw/zinc/77/18/83/1022771883.db2.gz GUGVHYGSEUHXNV-MAUKXSAKSA-N 1 1 342.487 3.824 20 30 EHEDMO COc1cccc(F)c1NC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000331282985 1022773910 /nfs/dbraw/zinc/77/39/10/1022773910.db2.gz JRJWNUNOELUSFY-CQSZACIVSA-N 1 1 337.439 3.671 20 30 EHEDMO CC[C@H](NC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1nc(C)cs1 ZINC000331323074 1022786491 /nfs/dbraw/zinc/78/64/91/1022786491.db2.gz MRUKOYOAVALKIY-UONOGXRCSA-N 1 1 338.521 3.527 20 30 EHEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000276777983 1022824137 /nfs/dbraw/zinc/82/41/37/1022824137.db2.gz PVEMWALEZLNWDA-MJGOQNOKSA-N 1 1 326.484 3.760 20 30 EHEDMO C=CC[N@@H+](Cc1c(CC)nn(C)c1CC)Cc1ccc(OC)cc1 ZINC000510671194 1022857526 /nfs/dbraw/zinc/85/75/26/1022857526.db2.gz ZHPYNSKQCNAADK-UHFFFAOYSA-N 1 1 327.472 3.742 20 30 EHEDMO C=CC[N@H+](Cc1c(CC)nn(C)c1CC)Cc1ccc(OC)cc1 ZINC000510671194 1022857541 /nfs/dbraw/zinc/85/75/41/1022857541.db2.gz ZHPYNSKQCNAADK-UHFFFAOYSA-N 1 1 327.472 3.742 20 30 EHEDMO CC[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000506352945 1022989941 /nfs/dbraw/zinc/98/99/41/1022989941.db2.gz LGKWYVLIRBDYCR-HXUWFJFHSA-N 1 1 336.435 3.748 20 30 EHEDMO CC[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000506352945 1022989953 /nfs/dbraw/zinc/98/99/53/1022989953.db2.gz LGKWYVLIRBDYCR-HXUWFJFHSA-N 1 1 336.435 3.748 20 30 EHEDMO C=CC[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccccc1 ZINC000438836770 1023053025 /nfs/dbraw/zinc/05/30/25/1023053025.db2.gz OHBMOAURRSXPPD-UHFFFAOYSA-N 1 1 330.378 3.982 20 30 EHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000127384560 1023112544 /nfs/dbraw/zinc/11/25/44/1023112544.db2.gz RVDOFGHSCVBJEO-OAQYLSRUSA-N 1 1 336.435 3.748 20 30 EHEDMO CC[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C[C@@H](O)C(F)(F)F ZINC000189868519 1023122860 /nfs/dbraw/zinc/12/28/60/1023122860.db2.gz NSVWFQMBJDZFPG-LLVKDONJSA-N 1 1 333.247 3.590 20 30 EHEDMO CC[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)C[C@@H](O)C(F)(F)F ZINC000189868519 1023122868 /nfs/dbraw/zinc/12/28/68/1023122868.db2.gz NSVWFQMBJDZFPG-LLVKDONJSA-N 1 1 333.247 3.590 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000506438033 1023142050 /nfs/dbraw/zinc/14/20/50/1023142050.db2.gz CXEJIJIQHHFCHM-RTBURBONSA-N 1 1 341.499 3.523 20 30 EHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1Br ZINC000507246166 1023212772 /nfs/dbraw/zinc/21/27/72/1023212772.db2.gz HGWZLRBLCBDLOU-UHFFFAOYSA-N 1 1 345.240 3.961 20 30 EHEDMO C[N@@H+](CCc1cccc2ccccc21)CC(=O)Nc1ccc(C#N)cc1 ZINC000507279101 1023229250 /nfs/dbraw/zinc/22/92/50/1023229250.db2.gz AXXXVEVPTIIYCY-UHFFFAOYSA-N 1 1 343.430 3.824 20 30 EHEDMO C=CCC1(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)CCC1 ZINC000276899372 1023321361 /nfs/dbraw/zinc/32/13/61/1023321361.db2.gz UNKGORUWLJKULY-UHFFFAOYSA-N 1 1 338.495 3.782 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC=C(c3ccccc3)C2)cc1 ZINC000342000466 1023750303 /nfs/dbraw/zinc/75/03/03/1023750303.db2.gz WRMJRPCMJJBBDO-UHFFFAOYSA-N 1 1 331.419 3.676 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000341999867 1023750593 /nfs/dbraw/zinc/75/05/93/1023750593.db2.gz YPZCNVKIXGXHMD-INIZCTEOSA-N 1 1 331.419 3.675 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC=C(c2ccccc2)C1 ZINC000341999867 1023750598 /nfs/dbraw/zinc/75/05/98/1023750598.db2.gz YPZCNVKIXGXHMD-INIZCTEOSA-N 1 1 331.419 3.675 20 30 EHEDMO CC[C@@H](CC#N)[NH2+]CC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 ZINC000594010935 1033159827 /nfs/dbraw/zinc/15/98/27/1033159827.db2.gz XWADWQFPWRATKL-SFHVURJKSA-N 1 1 327.472 3.583 20 30 EHEDMO Cc1ccccc1[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000441533909 1024045260 /nfs/dbraw/zinc/04/52/60/1024045260.db2.gz OBFTUNYIQAJYHV-SFHVURJKSA-N 1 1 344.418 3.906 20 30 EHEDMO C=C(Br)C[N@@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000749809827 1024079123 /nfs/dbraw/zinc/07/91/23/1024079123.db2.gz HSGIYGDICXQAGF-CYBMUJFWSA-N 1 1 349.313 3.766 20 30 EHEDMO C=C(Br)C[N@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000749809827 1024079140 /nfs/dbraw/zinc/07/91/40/1024079140.db2.gz HSGIYGDICXQAGF-CYBMUJFWSA-N 1 1 349.313 3.766 20 30 EHEDMO COc1ccc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1C#N ZINC000346034282 1024229579 /nfs/dbraw/zinc/22/95/79/1024229579.db2.gz FABZXFSOLABPCW-AWEZNQCLSA-N 1 1 328.362 3.835 20 30 EHEDMO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC(Oc2ccccn2)CC1 ZINC000329897487 1024239951 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EHEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000330221995 1024359599 /nfs/dbraw/zinc/35/95/99/1024359599.db2.gz RLHRIOABLSAJIH-MANSERQUSA-N 1 1 344.503 3.929 20 30 EHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000054808843 1024413554 /nfs/dbraw/zinc/41/35/54/1024413554.db2.gz DZTXNMZOLBLODJ-UHFFFAOYSA-N 1 1 347.462 3.816 20 30 EHEDMO CC(C)(C)C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1 ZINC000507801509 1024452451 /nfs/dbraw/zinc/45/24/51/1024452451.db2.gz LYRVYFVMKGHQGG-UHFFFAOYSA-N 1 1 341.499 3.877 20 30 EHEDMO Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(C#N)cn1 ZINC000425230036 1024475091 /nfs/dbraw/zinc/47/50/91/1024475091.db2.gz CHYYKKOYMNOMIC-CTNGQTDRSA-N 1 1 346.478 3.753 20 30 EHEDMO Cc1cc(C[N@H+](C)C2CCN(CCC(F)(F)F)CC2)ccc1C#N ZINC000449784774 1033223284 /nfs/dbraw/zinc/22/32/84/1033223284.db2.gz CLMRBWATVWZPJV-UHFFFAOYSA-N 1 1 339.405 3.715 20 30 EHEDMO C=C(C)[C@H](CC(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21)OCC ZINC000281129651 1024682029 /nfs/dbraw/zinc/68/20/29/1024682029.db2.gz VYWIMGACDGFYEO-RLLQIKCJSA-N 1 1 342.483 3.501 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399015603 1024781186 /nfs/dbraw/zinc/78/11/86/1024781186.db2.gz BWRJDQYEPQLRAT-GCJKJVERSA-N 1 1 333.479 3.753 20 30 EHEDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000346493480 1024803742 /nfs/dbraw/zinc/80/37/42/1024803742.db2.gz LIRHQWQFMCSDQF-KRWDZBQOSA-N 1 1 347.462 3.742 20 30 EHEDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000346493480 1024803764 /nfs/dbraw/zinc/80/37/64/1024803764.db2.gz LIRHQWQFMCSDQF-KRWDZBQOSA-N 1 1 347.462 3.742 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)c(F)c1 ZINC000602886890 1033235663 /nfs/dbraw/zinc/23/56/63/1033235663.db2.gz KEWFWFYEAZBGLF-QGZVFWFLSA-N 1 1 332.382 3.630 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000120952623 1024816607 /nfs/dbraw/zinc/81/66/07/1024816607.db2.gz JRGKAZAKVVCXRS-SJLPKXTDSA-N 1 1 329.463 3.784 20 30 EHEDMO C=CCOc1cccc(NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000594246706 1033241960 /nfs/dbraw/zinc/24/19/60/1033241960.db2.gz PZFDSTXJSXZYNR-IYBDPMFKSA-N 1 1 331.460 3.636 20 30 EHEDMO C=CC[C@H](C)C(=O)N1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001269961297 1024922411 /nfs/dbraw/zinc/92/24/11/1024922411.db2.gz XRYHOVQQMLAKFW-HRCADAONSA-N 1 1 346.437 3.712 20 30 EHEDMO N#Cc1ccc(F)c(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000025438130 1024960299 /nfs/dbraw/zinc/96/02/99/1024960299.db2.gz MMKZUGWZYUEKGL-UHFFFAOYSA-N 1 1 341.405 3.544 20 30 EHEDMO CC1(C)C[N@H+](CCC(=O)Nc2sccc2C#N)[C@H]1c1ccco1 ZINC000602926524 1033255686 /nfs/dbraw/zinc/25/56/86/1033255686.db2.gz OYGBTZVJNIJUIA-HNNXBMFYSA-N 1 1 329.425 3.624 20 30 EHEDMO CC1(C)C[N@@H+](CCC(=O)Nc2sccc2C#N)[C@H]1c1ccco1 ZINC000602926524 1033255697 /nfs/dbraw/zinc/25/56/97/1033255697.db2.gz OYGBTZVJNIJUIA-HNNXBMFYSA-N 1 1 329.425 3.624 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cccc(F)c2C#N)C1 ZINC000428233485 1025057809 /nfs/dbraw/zinc/05/78/09/1025057809.db2.gz SGJJLKILCFOZEH-IAGOWNOFSA-N 1 1 329.463 3.784 20 30 EHEDMO COc1cc(C#N)ccc1CN1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185440441 1025064811 /nfs/dbraw/zinc/06/48/11/1025064811.db2.gz QYWWSUWJFJVYMJ-HNNXBMFYSA-N 1 1 341.480 3.507 20 30 EHEDMO Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)Cc2ccccc2C)c(C#N)c1C ZINC000515203633 1025088164 /nfs/dbraw/zinc/08/81/64/1025088164.db2.gz XSZNETOXNQSWNK-AWEZNQCLSA-N 1 1 339.439 3.578 20 30 EHEDMO CSC1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000602924516 1033269096 /nfs/dbraw/zinc/26/90/96/1033269096.db2.gz YAFGRGLRCMMFFW-UHFFFAOYSA-N 1 1 325.275 3.648 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000602979523 1033282183 /nfs/dbraw/zinc/28/21/83/1033282183.db2.gz FHSSIFIKUUKQRK-IUODEOHRSA-N 1 1 339.361 3.658 20 30 EHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(F)c(C#N)c2)C1 ZINC000439015230 1025436988 /nfs/dbraw/zinc/43/69/88/1025436988.db2.gz OMUAYCNJGWXOOE-JBCDFXQESA-N 1 1 330.447 3.849 20 30 EHEDMO CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000179176532 1033283245 /nfs/dbraw/zinc/28/32/45/1033283245.db2.gz LXPLMSKKSMKCQA-GFCCVEGCSA-N 1 1 331.441 3.679 20 30 EHEDMO CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000179176532 1033283251 /nfs/dbraw/zinc/28/32/51/1033283251.db2.gz LXPLMSKKSMKCQA-GFCCVEGCSA-N 1 1 331.441 3.679 20 30 EHEDMO C=CC[N@@H+](CC(=O)N(CC)C1CCCCC1)Cc1ccc(OC)cc1 ZINC000515743933 1025534488 /nfs/dbraw/zinc/53/44/88/1025534488.db2.gz POYAYOALMQDQGD-UHFFFAOYSA-N 1 1 344.499 3.864 20 30 EHEDMO C=CC[N@H+](CC(=O)N(CC)C1CCCCC1)Cc1ccc(OC)cc1 ZINC000515743933 1025534499 /nfs/dbraw/zinc/53/44/99/1025534499.db2.gz POYAYOALMQDQGD-UHFFFAOYSA-N 1 1 344.499 3.864 20 30 EHEDMO COc1cc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)ccc1C#N ZINC000442884784 1025564568 /nfs/dbraw/zinc/56/45/68/1025564568.db2.gz KZPNQNZEXXGSIO-HRAATJIYSA-N 1 1 336.435 3.837 20 30 EHEDMO COc1cc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)ccc1C#N ZINC000442884784 1025564577 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/nfs/dbraw/zinc/17/80/53/1029178053.db2.gz NGQUTWBIWFKWCO-UHFFFAOYSA-N 1 1 336.426 3.648 20 30 EHEDMO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000445883795 1029193644 /nfs/dbraw/zinc/19/36/44/1029193644.db2.gz HURMKPPVSMWXPC-CYBMUJFWSA-N 1 1 338.333 3.675 20 30 EHEDMO C[C@@H](CNC(=O)C(C)(C)Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@@H]1C ZINC000454726024 1029238633 /nfs/dbraw/zinc/23/86/33/1029238633.db2.gz YNYCMOXLDNUZGY-IRXDYDNUSA-N 1 1 341.499 3.506 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000508552608 1029359663 /nfs/dbraw/zinc/35/96/63/1029359663.db2.gz NQVPJBKYUPQNTO-QGZVFWFLSA-N 1 1 339.435 3.815 20 30 EHEDMO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1)c1ccc(Cl)cc1 ZINC000272572433 1029517575 /nfs/dbraw/zinc/51/75/75/1029517575.db2.gz NCLYBZKTCQMFMF-KGLIPLIRSA-N 1 1 333.863 3.531 20 30 EHEDMO Cc1nnc(NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c(C#N)c1C ZINC000052245144 1029529459 /nfs/dbraw/zinc/52/94/59/1029529459.db2.gz YDZRYDQESRCYJK-HNNXBMFYSA-N 1 1 349.482 3.952 20 30 EHEDMO C[N@H+]1CC[C@H](CNc2cnccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091679070 1029765434 /nfs/dbraw/zinc/76/54/34/1029765434.db2.gz VCJWZVXESYTZEB-KDOFPFPSSA-N 1 1 344.821 3.851 20 30 EHEDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455696644 1029838409 /nfs/dbraw/zinc/83/84/09/1029838409.db2.gz CQYLJEUJXARLPD-KBPBESRZSA-N 1 1 348.878 3.648 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)c(Cl)c1 ZINC000475684261 1029966781 /nfs/dbraw/zinc/96/67/81/1029966781.db2.gz ANUDGNBUKFQRBP-FQEVSTJZSA-N 1 1 340.854 3.781 20 30 EHEDMO C=CCCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000476534131 1030019745 /nfs/dbraw/zinc/01/97/45/1030019745.db2.gz MLTYCEKYECOAPU-IRXDYDNUSA-N 1 1 332.875 3.948 20 30 EHEDMO C=CCCC1(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000476534131 1030019764 /nfs/dbraw/zinc/01/97/64/1030019764.db2.gz MLTYCEKYECOAPU-IRXDYDNUSA-N 1 1 332.875 3.948 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1Cl ZINC000537630352 1030059600 /nfs/dbraw/zinc/05/96/00/1030059600.db2.gz QKWZYLGKFGUWBR-UKRRQHHQSA-N 1 1 349.780 3.792 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1Cl ZINC000537630352 1030059613 /nfs/dbraw/zinc/05/96/13/1030059613.db2.gz QKWZYLGKFGUWBR-UKRRQHHQSA-N 1 1 349.780 3.792 20 30 EHEDMO C=C[C@@H](CC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)c1ccccc1 ZINC000156889307 1030081507 /nfs/dbraw/zinc/08/15/07/1030081507.db2.gz UGTQQFWTBKMWFW-SFHVURJKSA-N 1 1 346.434 3.552 20 30 EHEDMO C=CCOc1ccc(CNc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000120704409 1030098155 /nfs/dbraw/zinc/09/81/55/1030098155.db2.gz NXXVMRGSSUGBLM-UHFFFAOYSA-N 1 1 338.451 3.696 20 30 EHEDMO C[C@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[NH+]1CC(C)C1 ZINC000567912712 1030305064 /nfs/dbraw/zinc/30/50/64/1030305064.db2.gz OBGZUAOZYPXFCU-OAHLLOKOSA-N 1 1 335.407 3.629 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](C)C2CCN(CCC)CC2)cc1OC ZINC000092165637 1030394783 /nfs/dbraw/zinc/39/47/83/1030394783.db2.gz MEOOCYLDSUIZAW-UHFFFAOYSA-N 1 1 332.488 3.566 20 30 EHEDMO C=CCOc1ccc(C[N@H+](C)C2CCN(CCC)CC2)cc1OC ZINC000092165637 1030394796 /nfs/dbraw/zinc/39/47/96/1030394796.db2.gz MEOOCYLDSUIZAW-UHFFFAOYSA-N 1 1 332.488 3.566 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cn(C)nc1-c1cccnc1 ZINC000092505657 1030472814 /nfs/dbraw/zinc/47/28/14/1030472814.db2.gz BDPWDIYARDWCIV-UHFFFAOYSA-N 1 1 332.451 3.713 20 30 EHEDMO C[C@@H]1CN(Cc2cccc(OCc3cccc(C#N)c3)c2)[C@@H](C)C[N@H+]1C ZINC000482527889 1030507987 /nfs/dbraw/zinc/50/79/87/1030507987.db2.gz GAPQQUIXDYMCFO-MSOLQXFVSA-N 1 1 349.478 3.662 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)[C@@H](C)CN1C ZINC000482527889 1030507999 /nfs/dbraw/zinc/50/79/99/1030507999.db2.gz GAPQQUIXDYMCFO-MSOLQXFVSA-N 1 1 349.478 3.662 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)[C@@H](C)CN1C ZINC000482527889 1030508009 /nfs/dbraw/zinc/50/80/09/1030508009.db2.gz GAPQQUIXDYMCFO-MSOLQXFVSA-N 1 1 349.478 3.662 20 30 EHEDMO C=CCCCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000447964946 1030634522 /nfs/dbraw/zinc/63/45/22/1030634522.db2.gz HGRVIWQYHPRQKO-QGZVFWFLSA-N 1 1 329.488 3.684 20 30 EHEDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1cccc(OCCCC#N)c1 ZINC000093659992 1030648938 /nfs/dbraw/zinc/64/89/38/1030648938.db2.gz XOQGHGNCCXOWTE-LJQANCHMSA-N 1 1 329.488 3.675 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)cc1OC ZINC000093864073 1030682916 /nfs/dbraw/zinc/68/29/16/1030682916.db2.gz YSXXXKYXNQRRFL-QGZVFWFLSA-N 1 1 341.455 3.503 20 30 EHEDMO N#Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc2ccccc12 ZINC000448056429 1030696880 /nfs/dbraw/zinc/69/68/80/1030696880.db2.gz NCJQATZNBKVZAQ-MGPUTAFESA-N 1 1 332.451 3.560 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+](CC(=O)OC)C2CCCC2)ccc1OC ZINC000537648035 1030786393 /nfs/dbraw/zinc/78/63/93/1030786393.db2.gz UMTNJQGBFZWIGW-UHFFFAOYSA-N 1 1 347.455 3.568 20 30 EHEDMO C=C(C)COc1cc(C[N@H+](CC(=O)OC)C2CCCC2)ccc1OC ZINC000537648035 1030786411 /nfs/dbraw/zinc/78/64/11/1030786411.db2.gz UMTNJQGBFZWIGW-UHFFFAOYSA-N 1 1 347.455 3.568 20 30 EHEDMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000192631488 1030837201 /nfs/dbraw/zinc/83/72/01/1030837201.db2.gz INZAVTPQFBIUIL-CQSZACIVSA-N 1 1 333.391 3.936 20 30 EHEDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000192631488 1030837219 /nfs/dbraw/zinc/83/72/19/1030837219.db2.gz INZAVTPQFBIUIL-CQSZACIVSA-N 1 1 333.391 3.936 20 30 EHEDMO CC[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)CC(C)C ZINC000172171357 1030842272 /nfs/dbraw/zinc/84/22/72/1030842272.db2.gz BGJYXBQIOMOCHC-HNNXBMFYSA-N 1 1 333.501 3.997 20 30 EHEDMO Fc1ccc(C#CCN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000448261940 1030904081 /nfs/dbraw/zinc/90/40/81/1030904081.db2.gz SMKIYUNCBSDJNY-UHFFFAOYSA-N 1 1 340.417 3.524 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000483099371 1030953116 /nfs/dbraw/zinc/95/31/16/1030953116.db2.gz MEJLVZGGEFMREL-QGZVFWFLSA-N 1 1 337.398 3.515 20 30 EHEDMO C=CCC[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000527511976 1030960330 /nfs/dbraw/zinc/96/03/30/1030960330.db2.gz LJDGEXVXOSRYKE-UHFFFAOYSA-N 1 1 342.277 3.607 20 30 EHEDMO C=CC[N@H+](CCOC)Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000483422764 1031157880 /nfs/dbraw/zinc/15/78/80/1031157880.db2.gz RMKWOVGTYIHZRG-UHFFFAOYSA-N 1 1 340.467 3.912 20 30 EHEDMO Cc1ccnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C#N ZINC000343518204 1031214981 /nfs/dbraw/zinc/21/49/81/1031214981.db2.gz YMBYJDXHSCJSGG-IEBWSBKVSA-N 1 1 334.467 3.751 20 30 EHEDMO C[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)C[C@H](c2ccccc2)O1 ZINC000477153057 1031292736 /nfs/dbraw/zinc/29/27/36/1031292736.db2.gz SUVSRADOURSRMA-DYESRHJHSA-N 1 1 336.435 3.789 20 30 EHEDMO C[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)C[C@H](c2ccccc2)O1 ZINC000477153057 1031292742 /nfs/dbraw/zinc/29/27/42/1031292742.db2.gz SUVSRADOURSRMA-DYESRHJHSA-N 1 1 336.435 3.789 20 30 EHEDMO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000329607142 1031321420 /nfs/dbraw/zinc/32/14/20/1031321420.db2.gz BISUVLQVOXVYSU-GDBMZVCRSA-N 1 1 344.455 3.946 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](CC)c1nccs1 ZINC000161164746 1031371544 /nfs/dbraw/zinc/37/15/44/1031371544.db2.gz WRRWBTVOKNXCCF-ZFWWWQNUSA-N 1 1 349.525 3.849 20 30 EHEDMO CC[N@H+](CC(=O)Nc1ccc(F)cc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741398 1031452360 /nfs/dbraw/zinc/45/23/60/1031452360.db2.gz QVZBOGLJLCYQRE-ZDUSSCGKSA-N 1 1 343.377 3.858 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1ccc(F)cc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741398 1031452367 /nfs/dbraw/zinc/45/23/67/1031452367.db2.gz QVZBOGLJLCYQRE-ZDUSSCGKSA-N 1 1 343.377 3.858 20 30 EHEDMO C=C[C@@H](CC(=O)N1CC[N@H+](C)CC12CCCCC2)c1ccccc1 ZINC000536200690 1031525798 /nfs/dbraw/zinc/52/57/98/1031525798.db2.gz IJPLFKLGPIPVPN-SFHVURJKSA-N 1 1 326.484 3.823 20 30 EHEDMO Cc1ccccc1[C@@H](C)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC(C)C ZINC000551723257 1031601831 /nfs/dbraw/zinc/60/18/31/1031601831.db2.gz ZARVEMGNNRXMDU-DYESRHJHSA-N 1 1 341.499 3.823 20 30 EHEDMO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1c(F)cccc1Cl ZINC000551804412 1031662507 /nfs/dbraw/zinc/66/25/07/1031662507.db2.gz YLIHHNUILBXUJB-NSHDSACASA-N 1 1 328.778 3.849 20 30 EHEDMO C[C@H]1[C@@H](NC(=O)Nc2cccc(CC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000455904025 1031752490 /nfs/dbraw/zinc/75/24/90/1031752490.db2.gz JFPRWGKNMFVVEB-JXFKEZNVSA-N 1 1 348.450 3.537 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccccn1 ZINC000180456625 1031856328 /nfs/dbraw/zinc/85/63/28/1031856328.db2.gz MSOABEQLDLTNBT-AWEZNQCLSA-N 1 1 327.453 3.649 20 30 EHEDMO CC[N@H+]1CC[C@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000343713439 1032042778 /nfs/dbraw/zinc/04/27/78/1032042778.db2.gz RAPHJWSJDJDWFG-HUUCEWRRSA-N 1 1 346.500 3.544 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CC1CCCCC1 ZINC000219617967 1032051975 /nfs/dbraw/zinc/05/19/75/1032051975.db2.gz IMKKJKFCJICPHS-MRXNPFEDSA-N 1 1 345.462 3.973 20 30 EHEDMO CC[N@H+](Cc1cccc(Br)c1)C[C@H](O)CC(C)(C)C#N ZINC000598586578 1033313225 /nfs/dbraw/zinc/31/32/25/1033313225.db2.gz IEEYPVBADGIWNF-OAHLLOKOSA-N 1 1 339.277 3.572 20 30 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337.423 3.899 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C#Cc2ccccc2)CC1 ZINC000763763401 1126775024 /nfs/dbraw/zinc/77/50/24/1126775024.db2.gz TXOGGFHIFZVEJF-LJQANCHMSA-N 1 1 338.495 3.541 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CCc1cccs1 ZINC000072800697 1126887686 /nfs/dbraw/zinc/88/76/86/1126887686.db2.gz DXRBVVQGGWSAFL-LBPRGKRZSA-N 1 1 347.871 3.775 20 30 EHEDMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000763901862 1126933395 /nfs/dbraw/zinc/93/33/95/1126933395.db2.gz KMSYQULBNKKQGC-IBGZPJMESA-N 1 1 335.451 3.690 20 30 EHEDMO C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179484157 1127067674 /nfs/dbraw/zinc/06/76/74/1127067674.db2.gz DXMRNMNJZWBBEI-RTWAWAEBSA-N 1 1 349.478 3.830 20 30 EHEDMO C=CCSc1ccccc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654316809 1127109418 /nfs/dbraw/zinc/10/94/18/1127109418.db2.gz CXFCUWWLCBTURB-DLBZAZTESA-N 1 1 330.497 3.711 20 30 EHEDMO N#CCC[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)CC1CC1 ZINC000183330051 1127372715 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EHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2c(F)cc(C#N)cc2F)C1 ZINC000302036042 1128616436 /nfs/dbraw/zinc/61/64/36/1128616436.db2.gz JYOGBCBCOQLWOZ-GJZGRUSLSA-N 1 1 333.426 3.927 20 30 EHEDMO CC(=O)c1ccc(C#N)c(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000302128302 1128621402 /nfs/dbraw/zinc/62/14/02/1128621402.db2.gz XFQYZDAVDQQIKK-IBGZPJMESA-N 1 1 347.462 3.719 20 30 EHEDMO CC(=O)c1ccc(C#N)c(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000302099346 1128619568 /nfs/dbraw/zinc/61/95/68/1128619568.db2.gz KPZNWPOZFFFIQW-FOIQADDNSA-N 1 1 333.435 3.836 20 30 EHEDMO N#Cc1cccc(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000302113333 1128619972 /nfs/dbraw/zinc/61/99/72/1128619972.db2.gz BKMQSUUTEFXYON-YSIASYRMSA-N 1 1 332.451 3.666 20 30 EHEDMO C=CCO[C@H]1CC[N@@H+](Cc2cc(Cl)c(OCC)c(OC)c2)C1 ZINC001116555143 1128635647 /nfs/dbraw/zinc/63/56/47/1128635647.db2.gz MGOZDNYOEKFEMY-AWEZNQCLSA-N 1 1 325.836 3.524 20 30 EHEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(Cl)c(OCC)c(OC)c2)C1 ZINC001116555143 1128635648 /nfs/dbraw/zinc/63/56/48/1128635648.db2.gz MGOZDNYOEKFEMY-AWEZNQCLSA-N 1 1 325.836 3.524 20 30 EHEDMO Cc1ccc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)nc1C#N ZINC000302610374 1128638884 /nfs/dbraw/zinc/63/88/84/1128638884.db2.gz DULHIJFVDUTAGN-AWEZNQCLSA-N 1 1 342.393 3.616 20 30 EHEDMO Cc1ccc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)nc1C#N ZINC000302610374 1128638885 /nfs/dbraw/zinc/63/88/85/1128638885.db2.gz DULHIJFVDUTAGN-AWEZNQCLSA-N 1 1 342.393 3.616 20 30 EHEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000303557161 1128682060 /nfs/dbraw/zinc/68/20/60/1128682060.db2.gz WKTATNVOMKELSS-TZIWHRDSSA-N 1 1 338.451 3.627 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000303539272 1128682288 /nfs/dbraw/zinc/68/22/88/1128682288.db2.gz FXJACWUHMTXLTE-JTSKRJEESA-N 1 1 347.462 3.939 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000303539272 1128682290 /nfs/dbraw/zinc/68/22/90/1128682290.db2.gz FXJACWUHMTXLTE-JTSKRJEESA-N 1 1 347.462 3.939 20 30 EHEDMO CN1CCC[C@@H](C[NH2+]Cc2csc(C#N)c2)[C@@H]1c1cccs1 ZINC000921775563 1128751060 /nfs/dbraw/zinc/75/10/60/1128751060.db2.gz GDLAPCTWXKCOOQ-WMLDXEAASA-N 1 1 331.510 3.854 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1nc(Cl)c(C#N)s1 ZINC000307042086 1128808717 /nfs/dbraw/zinc/80/87/17/1128808717.db2.gz AQSOMQWLMVJZKF-YPMHNXCESA-N 1 1 332.860 3.601 20 30 EHEDMO C=CC[C@H](CC)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000542905916 1128825444 /nfs/dbraw/zinc/82/54/44/1128825444.db2.gz ILCYFZJPIFUFCO-UMQXSMKFSA-N 1 1 341.499 3.836 20 30 EHEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CCOc1ccc(C#N)cc1)CCC2 ZINC000111312207 1128859257 /nfs/dbraw/zinc/85/92/57/1128859257.db2.gz XQNBXXRDKVGKKR-KRWDZBQOSA-N 1 1 327.453 3.711 20 30 EHEDMO C[C@@H](C#N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000338754918 1128871876 /nfs/dbraw/zinc/87/18/76/1128871876.db2.gz HRXMFWBXULKMPE-NYXIWFNCSA-N 1 1 345.874 3.530 20 30 EHEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001648966028 1120284122 /nfs/dbraw/zinc/28/41/22/1120284122.db2.gz WWISPHVHOXFMGT-UHFFFAOYSA-N 1 1 346.833 3.847 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741157127 1120464744 /nfs/dbraw/zinc/46/47/44/1120464744.db2.gz SXCVKFJBXISFSK-GOSISDBHSA-N 1 1 330.472 3.932 20 30 EHEDMO C[N@@H+](CCCSCC#N)Cc1ccc(Br)c(F)c1 ZINC000494273750 1120522074 /nfs/dbraw/zinc/52/20/74/1120522074.db2.gz KNKQHISKIIWDDH-UHFFFAOYSA-N 1 1 331.254 3.667 20 30 EHEDMO C/C(=C/c1ccccc1)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000494287956 1120527499 /nfs/dbraw/zinc/52/74/99/1120527499.db2.gz NPVAKPJLQJZBNU-TXQCQQFXSA-N 1 1 333.435 3.921 20 30 EHEDMO C/C(=C/c1ccccc1)C[N@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000494287956 1120527504 /nfs/dbraw/zinc/52/75/04/1120527504.db2.gz NPVAKPJLQJZBNU-TXQCQQFXSA-N 1 1 333.435 3.921 20 30 EHEDMO CC(C)[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1cc(C#N)ccn1 ZINC001168465301 1120545118 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EHEDMO C=C[C@H]1CCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000495134063 1120967992 /nfs/dbraw/zinc/96/79/92/1120967992.db2.gz AZMRHNYCCAKMHY-INIZCTEOSA-N 1 1 342.418 3.570 20 30 EHEDMO C=CCn1c(-c2cccnc2)nn(C[N@@H+](CC2CC2)C(C)C)c1=S ZINC000915209043 1121253610 /nfs/dbraw/zinc/25/36/10/1121253610.db2.gz RBDHUWWHTINWTM-UHFFFAOYSA-N 1 1 343.500 3.740 20 30 EHEDMO C=CCn1c(-c2cccnc2)nn(C[N@H+](CC2CC2)C(C)C)c1=S ZINC000915209043 1121253615 /nfs/dbraw/zinc/25/36/15/1121253615.db2.gz RBDHUWWHTINWTM-UHFFFAOYSA-N 1 1 343.500 3.740 20 30 EHEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(-n3cccn3)cc2)C2CC2)cc1 ZINC000193613834 1121492399 /nfs/dbraw/zinc/49/23/99/1121492399.db2.gz SSEPLRPJCLHIBG-UHFFFAOYSA-N 1 1 328.419 3.909 20 30 EHEDMO N#Cc1ccc(C[N@H+](Cc2cnn(-c3ccccc3)c2)C2CC2)cc1 ZINC000193613714 1121492503 /nfs/dbraw/zinc/49/25/03/1121492503.db2.gz VEZGZYXNTWKDHT-UHFFFAOYSA-N 1 1 328.419 3.909 20 30 EHEDMO N#Cc1ccc(C[N@@H+](Cc2cnn(-c3ccccc3)c2)C2CC2)cc1 ZINC000193613714 1121492509 /nfs/dbraw/zinc/49/25/09/1121492509.db2.gz VEZGZYXNTWKDHT-UHFFFAOYSA-N 1 1 328.419 3.909 20 30 EHEDMO Cc1cc(C[N@@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC000496005422 1121604070 /nfs/dbraw/zinc/60/40/70/1121604070.db2.gz OWUFBTRNJPAGSF-MAUKXSAKSA-N 1 1 343.471 3.602 20 30 EHEDMO CC[N@@H+](Cc1cnc2c(c1)c(C)nn2C)[C@@H](C)c1ccc(C#N)cc1 ZINC000193757385 1121620770 /nfs/dbraw/zinc/62/07/70/1121620770.db2.gz HLWFZZHCZUKNSY-HNNXBMFYSA-N 1 1 333.439 3.732 20 30 EHEDMO N#Cc1ccccc1C[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000193876452 1121723146 /nfs/dbraw/zinc/72/31/46/1121723146.db2.gz FMKWNPXGUVMHPC-UHFFFAOYSA-N 1 1 328.362 3.880 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000496439664 1122083382 /nfs/dbraw/zinc/08/33/82/1122083382.db2.gz XPSKABJLHXSAFA-ZDUSSCGKSA-N 1 1 345.434 3.551 20 30 EHEDMO CC(=[NH+]NC(=S)NC(C)(C)C)c1ccc(N2CCCCC2)cc1 ZINC000916341862 1122131379 /nfs/dbraw/zinc/13/13/79/1122131379.db2.gz MHSWUPCPFTYJQL-UHFFFAOYSA-N 1 1 332.517 3.664 20 30 EHEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000032831993 1122142196 /nfs/dbraw/zinc/14/21/96/1122142196.db2.gz STKUWRRUKHGLIH-IIBYNOLFSA-N 1 1 343.515 3.859 20 30 EHEDMO CC(C)[N@@H+](CCOc1cccc(C#N)c1)Cc1ccc(N(C)C)cc1 ZINC000917075963 1122473263 /nfs/dbraw/zinc/47/32/63/1122473263.db2.gz DOQVLCLYDYBUFY-UHFFFAOYSA-N 1 1 337.467 3.914 20 30 EHEDMO C=CC[N@H+](Cc1nnc(-c2ccc(Br)s2)o1)C(C)C ZINC000917070410 1122476278 /nfs/dbraw/zinc/47/62/78/1122476278.db2.gz BCKLILNHYOELJL-UHFFFAOYSA-N 1 1 342.262 3.957 20 30 EHEDMO C=CC[N@@H+](Cc1nnc(-c2ccc(Br)s2)o1)C(C)C ZINC000917070410 1122476279 /nfs/dbraw/zinc/47/62/79/1122476279.db2.gz BCKLILNHYOELJL-UHFFFAOYSA-N 1 1 342.262 3.957 20 30 EHEDMO C#CC[N@H+](C[C@@H](O)c1c(F)cccc1F)[C@@H]1CCc2ccccc21 ZINC000917119072 1122513373 /nfs/dbraw/zinc/51/33/73/1122513373.db2.gz PWOCXIZKGYSTAO-RTBURBONSA-N 1 1 327.374 3.621 20 30 EHEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)CC2CCCCC2)c(OC)c1 ZINC000497602646 1122606648 /nfs/dbraw/zinc/60/66/48/1122606648.db2.gz KDYRDHGSGGAXSR-LJQANCHMSA-N 1 1 347.499 3.676 20 30 EHEDMO N#Cc1ccccc1OCC[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000497614922 1122609640 /nfs/dbraw/zinc/60/96/40/1122609640.db2.gz BXLMCBXYCRPDGU-JOCHJYFZSA-N 1 1 343.430 3.844 20 30 EHEDMO N#Cc1ccccc1OCC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000497614922 1122609643 /nfs/dbraw/zinc/60/96/43/1122609643.db2.gz BXLMCBXYCRPDGU-JOCHJYFZSA-N 1 1 343.430 3.844 20 30 EHEDMO CC[N@@H+](CC(=O)NCc1ccccc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497619434 1122611965 /nfs/dbraw/zinc/61/19/65/1122611965.db2.gz SRTRVBWXVZKYFG-KRWDZBQOSA-N 1 1 335.451 3.566 20 30 EHEDMO C=CCCC[N@H+](C)Cc1oc(-c2ccccc2)nc1C(=O)OCC ZINC000072519756 1123110367 /nfs/dbraw/zinc/11/03/67/1123110367.db2.gz YEBLPNBRBACDQX-UHFFFAOYSA-N 1 1 328.412 3.916 20 30 EHEDMO N#Cc1ccsc1NC(=O)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000065951609 1129114758 /nfs/dbraw/zinc/11/47/58/1129114758.db2.gz RCLOLPOGBLFCMD-QGZVFWFLSA-N 1 1 337.448 3.710 20 30 EHEDMO N#Cc1ccsc1NC(=O)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000065951609 1129114760 /nfs/dbraw/zinc/11/47/60/1129114760.db2.gz RCLOLPOGBLFCMD-QGZVFWFLSA-N 1 1 337.448 3.710 20 30 EHEDMO C[NH+]1CCN(N=Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC000920355907 1123359801 /nfs/dbraw/zinc/35/98/01/1123359801.db2.gz GNPODMOAQGGCFR-UHFFFAOYSA-N 1 1 337.345 3.547 20 30 EHEDMO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000609548926 1123612531 /nfs/dbraw/zinc/61/25/31/1123612531.db2.gz LBKISPIULRJRHY-LJQANCHMSA-N 1 1 335.407 3.773 20 30 EHEDMO C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000609548926 1123612535 /nfs/dbraw/zinc/61/25/35/1123612535.db2.gz LBKISPIULRJRHY-LJQANCHMSA-N 1 1 335.407 3.773 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000610134097 1123739449 /nfs/dbraw/zinc/73/94/49/1123739449.db2.gz BAEKAANFYSOZPC-UTKZUKDTSA-N 1 1 341.499 3.904 20 30 EHEDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1cccc(OCCCC#N)c1 ZINC000237547526 1123763732 /nfs/dbraw/zinc/76/37/32/1123763732.db2.gz WWYANSKKGGANOZ-QZTJIDSGSA-N 1 1 329.488 3.579 20 30 EHEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NCc1cccc(OCCCC#N)c1 ZINC000237547526 1123763735 /nfs/dbraw/zinc/76/37/35/1123763735.db2.gz WWYANSKKGGANOZ-QZTJIDSGSA-N 1 1 329.488 3.579 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000245447991 1123830192 /nfs/dbraw/zinc/83/01/92/1123830192.db2.gz MMOQPRRANYYBHF-BZUAXINKSA-N 1 1 345.512 3.997 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](C)CC[C@H]1C ZINC000245447991 1123830196 /nfs/dbraw/zinc/83/01/96/1123830196.db2.gz MMOQPRRANYYBHF-BZUAXINKSA-N 1 1 345.512 3.997 20 30 EHEDMO C=CC[C@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000617037551 1124075692 /nfs/dbraw/zinc/07/56/92/1124075692.db2.gz OLYJBJKRGMTVGK-HKUYNNGSSA-N 1 1 341.499 3.858 20 30 EHEDMO C=CC[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccncc1 ZINC000734657398 1131263425 /nfs/dbraw/zinc/26/34/25/1131263425.db2.gz DYOWNIAPHQMGEB-MJGOQNOKSA-N 1 1 344.503 3.510 20 30 EHEDMO C=CCCC1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CCCC1 ZINC000617416897 1124519806 /nfs/dbraw/zinc/51/98/06/1124519806.db2.gz BWHJCDFOLJIDJW-IBGZPJMESA-N 1 1 341.499 3.689 20 30 EHEDMO C=CCCC1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CCCC1 ZINC000617416897 1124519813 /nfs/dbraw/zinc/51/98/13/1124519813.db2.gz BWHJCDFOLJIDJW-IBGZPJMESA-N 1 1 341.499 3.689 20 30 EHEDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000247033744 1124580290 /nfs/dbraw/zinc/58/02/90/1124580290.db2.gz YLYPNDASZKFJGE-RBUKOAKNSA-N 1 1 342.487 3.547 20 30 EHEDMO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)N1CCC(C)CC1 ZINC000181486534 1124885826 /nfs/dbraw/zinc/88/58/26/1124885826.db2.gz CCUBAVNIKIGVMK-NQIIRXRSSA-N 1 1 343.515 3.996 20 30 EHEDMO N#CCC[C@H]([NH2+]Cc1cncc(Br)c1)c1ccccc1 ZINC000181938348 1125089405 /nfs/dbraw/zinc/08/94/05/1125089405.db2.gz ISOSVGIWZATHMX-INIZCTEOSA-N 1 1 330.229 3.979 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000253358837 1125147075 /nfs/dbraw/zinc/14/70/75/1125147075.db2.gz WALPHNWEMSUBAD-FPOVZHCZSA-N 1 1 339.483 3.583 20 30 EHEDMO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000066898184 1129221345 /nfs/dbraw/zinc/22/13/45/1129221345.db2.gz FRDBTVONKFLWGJ-MRXNPFEDSA-N 1 1 339.464 3.828 20 30 EHEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000066898184 1129221349 /nfs/dbraw/zinc/22/13/49/1129221349.db2.gz FRDBTVONKFLWGJ-MRXNPFEDSA-N 1 1 339.464 3.828 20 30 EHEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000115552170 1129273684 /nfs/dbraw/zinc/27/36/84/1129273684.db2.gz SHGANYFBNWFZCX-YOEHRIQHSA-N 1 1 339.464 3.826 20 30 EHEDMO CC(N=Nc1ccc(F)cc1F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735609001 1131363003 /nfs/dbraw/zinc/36/30/03/1131363003.db2.gz KBPQIZNOXFTIBY-LJQANCHMSA-N 1 1 345.393 3.654 20 30 EHEDMO CC(N=Nc1ccc(F)cc1F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735609001 1131363008 /nfs/dbraw/zinc/36/30/08/1131363008.db2.gz KBPQIZNOXFTIBY-LJQANCHMSA-N 1 1 345.393 3.654 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H](C)c1cccc(O)c1 ZINC000080932422 1129388304 /nfs/dbraw/zinc/38/83/04/1129388304.db2.gz RKMIENAGMUQXFB-HNNXBMFYSA-N 1 1 337.423 3.676 20 30 EHEDMO C=CC[C@H](CC)NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000466379337 1129410229 /nfs/dbraw/zinc/41/02/29/1129410229.db2.gz XUKAYDQIUJHXLS-SFHVURJKSA-N 1 1 349.906 3.912 20 30 EHEDMO C=CC[C@H](CC)NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000466379337 1129410230 /nfs/dbraw/zinc/41/02/30/1129410230.db2.gz XUKAYDQIUJHXLS-SFHVURJKSA-N 1 1 349.906 3.912 20 30 EHEDMO C[NH+](C)CC1(NCc2cccc(OCc3cccc(C#N)c3)c2)CCC1 ZINC000466415029 1129435983 /nfs/dbraw/zinc/43/59/83/1129435983.db2.gz CWFRYRXEVXHTSZ-UHFFFAOYSA-N 1 1 349.478 3.711 20 30 EHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168729268 1129587721 /nfs/dbraw/zinc/58/77/21/1129587721.db2.gz AHAOLEQWLPEOMA-FUHIMQAGSA-N 1 1 347.886 3.633 20 30 EHEDMO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cnc3ccc(C#N)cn23)s1 ZINC000093612440 1129596612 /nfs/dbraw/zinc/59/66/12/1129596612.db2.gz UQZSUVJYNXNDPD-CYBMUJFWSA-N 1 1 339.468 3.726 20 30 EHEDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cnc3ccc(C#N)cn23)s1 ZINC000093612440 1129596615 /nfs/dbraw/zinc/59/66/15/1129596615.db2.gz UQZSUVJYNXNDPD-CYBMUJFWSA-N 1 1 339.468 3.726 20 30 EHEDMO Cc1ccc2c(C[N@@H+]3C[C@@H](c4ccccc4)[C@H](C#N)C3)ccc(O)c2n1 ZINC000429004378 1129686517 /nfs/dbraw/zinc/68/65/17/1129686517.db2.gz LKDSXZZXZRAMHJ-QUCCMNQESA-N 1 1 343.430 3.988 20 30 EHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Oc2cnccn2)cc1 ZINC000131200713 1129775323 /nfs/dbraw/zinc/77/53/23/1129775323.db2.gz KMCWHAALJCDLGZ-UHFFFAOYSA-N 1 1 330.391 3.773 20 30 EHEDMO N#Cc1ccc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cc1 ZINC000029635758 1129893277 /nfs/dbraw/zinc/89/32/77/1129893277.db2.gz GTQQRFNOCZTHLY-UHFFFAOYSA-N 1 1 340.452 3.643 20 30 EHEDMO C=CC[C@@H]1CC[N@H+](CC(=O)c2cc(C)n(CC(F)(F)F)c2C)C1 ZINC000625702249 1129986003 /nfs/dbraw/zinc/98/60/03/1129986003.db2.gz FZLCUSLKQZXRCN-CQSZACIVSA-N 1 1 328.378 3.748 20 30 EHEDMO C[NH+](C)Cc1ccc(NC(=O)c2cc(C#N)ccc2F)cc1Cl ZINC001128628952 1130011783 /nfs/dbraw/zinc/01/17/83/1130011783.db2.gz ZSRZEVFQMLEONU-UHFFFAOYSA-N 1 1 331.778 3.665 20 30 EHEDMO Cc1nccc([C@@H]2CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC000674249257 1130036936 /nfs/dbraw/zinc/03/69/36/1130036936.db2.gz LOSSILLRTBVPSS-QGZVFWFLSA-N 1 1 325.843 3.670 20 30 EHEDMO Cc1nccc([C@@H]2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC000674249257 1130036943 /nfs/dbraw/zinc/03/69/43/1130036943.db2.gz LOSSILLRTBVPSS-QGZVFWFLSA-N 1 1 325.843 3.670 20 30 EHEDMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)nc1 ZINC000245439509 1130205395 /nfs/dbraw/zinc/20/53/95/1130205395.db2.gz SYABJKPYBMGOPG-APWZRJJASA-N 1 1 348.450 3.673 20 30 EHEDMO CCOc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000246015996 1130336705 /nfs/dbraw/zinc/33/67/05/1130336705.db2.gz LTDIZJNGEAEWGL-NHCUHLMSSA-N 1 1 336.435 3.827 20 30 EHEDMO C[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)C[C@@H](c2ccsc2)O1 ZINC000246040761 1130338123 /nfs/dbraw/zinc/33/81/23/1130338123.db2.gz OXYCBLWULFDJDA-BEFAXECRSA-N 1 1 342.464 3.851 20 30 EHEDMO C[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)C[C@@H](c2ccsc2)O1 ZINC000246040761 1130338128 /nfs/dbraw/zinc/33/81/28/1130338128.db2.gz OXYCBLWULFDJDA-BEFAXECRSA-N 1 1 342.464 3.851 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)o1 ZINC000174284124 1130347499 /nfs/dbraw/zinc/34/74/99/1130347499.db2.gz WJHFFCVBNGVGOM-UHFFFAOYSA-N 1 1 349.365 3.832 20 30 EHEDMO Cn1cccc1[C@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000175123134 1130408937 /nfs/dbraw/zinc/40/89/37/1130408937.db2.gz JNMWTDLICBUMPT-MRXNPFEDSA-N 1 1 342.468 3.514 20 30 EHEDMO C=C(C)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001129192916 1130540716 /nfs/dbraw/zinc/54/07/16/1130540716.db2.gz HEONJSRULXBZMZ-WOJBJXKFSA-N 1 1 328.500 3.863 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@H](N3CCCCC3)C2)c1O ZINC000730803908 1130739067 /nfs/dbraw/zinc/73/90/67/1130739067.db2.gz BIXNTSBWPUDHNI-IBGZPJMESA-N 1 1 344.499 3.580 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H](N3CCCCC3)C2)c1O ZINC000730803908 1130739072 /nfs/dbraw/zinc/73/90/72/1130739072.db2.gz BIXNTSBWPUDHNI-IBGZPJMESA-N 1 1 344.499 3.580 20 30 EHEDMO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000732204002 1130900429 /nfs/dbraw/zinc/90/04/29/1130900429.db2.gz OITIMBPNMJOIGC-PBHICJAKSA-N 1 1 339.405 3.932 20 30 EHEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000733325124 1131025018 /nfs/dbraw/zinc/02/50/18/1131025018.db2.gz ZMNVKFWECRBLEA-KRWDZBQOSA-N 1 1 341.373 3.632 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000739913387 1131516567 /nfs/dbraw/zinc/51/65/67/1131516567.db2.gz AUWSWOUSUYBSJM-SCWSEQNSSA-N 1 1 348.446 3.959 20 30 EHEDMO CCC[N@@H+](CCCOc1ccc(C#N)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000740885024 1131553889 /nfs/dbraw/zinc/55/38/89/1131553889.db2.gz YCUFNCMPDJRQPO-XUVXKRRUSA-N 1 1 342.483 3.853 20 30 EHEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)ccc2OCC#N)C1(C)C ZINC000740887066 1131554031 /nfs/dbraw/zinc/55/40/31/1131554031.db2.gz PMMSMADNETUEAC-DLBZAZTESA-N 1 1 336.863 3.878 20 30 EHEDMO C#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000829785054 1131652882 /nfs/dbraw/zinc/65/28/82/1131652882.db2.gz QEFHRMUJMUKNNK-GFCCVEGCSA-N 1 1 325.239 3.667 20 30 EHEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000829785054 1131652884 /nfs/dbraw/zinc/65/28/84/1131652884.db2.gz QEFHRMUJMUKNNK-GFCCVEGCSA-N 1 1 325.239 3.667 20 30 EHEDMO CCCOc1ccc(C[NH2+]Cc2cc(C#N)ccc2F)cc1OC ZINC000742381935 1131713171 /nfs/dbraw/zinc/71/31/71/1131713171.db2.gz TUIJVNRTFWGFOQ-UHFFFAOYSA-N 1 1 328.387 3.785 20 30 EHEDMO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@H+]([C@@H](C)CCCC#N)C2 ZINC001172498776 1131760480 /nfs/dbraw/zinc/76/04/80/1131760480.db2.gz ODEBXWVYQRJVRJ-SFHVURJKSA-N 1 1 349.482 3.690 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCC[C@H]3CCC[C@H]32)C[C@H]1C#N ZINC001172991036 1131937166 /nfs/dbraw/zinc/93/71/66/1131937166.db2.gz KGNXLBODZKLEFG-LTIDMASMSA-N 1 1 333.476 3.543 20 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20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC2(CCCC2)C1 ZINC000744422040 1132091725 /nfs/dbraw/zinc/09/17/25/1132091725.db2.gz LJZSUYHYWASDNH-INIZCTEOSA-N 1 1 332.513 3.917 20 30 EHEDMO CN(C[C@@H]1CC[N@H+](C2CCC(C)(C#N)CC2)C1)C(=O)OC(C)(C)C ZINC001173597978 1132100491 /nfs/dbraw/zinc/10/04/91/1132100491.db2.gz KXJWDKKZZZGFJJ-LYGPFTKASA-N 1 1 335.492 3.648 20 30 EHEDMO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173601568 1132103338 /nfs/dbraw/zinc/10/33/38/1132103338.db2.gz VXRNJTFMNSPXDQ-XZZQLLPFSA-N 1 1 335.492 3.836 20 30 EHEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccnc(C(F)(F)F)c3)sc2C1 ZINC001174359441 1132334722 /nfs/dbraw/zinc/33/47/22/1132334722.db2.gz DCZCRABBCBGGPA-UHFFFAOYSA-N 1 1 338.358 3.765 20 30 EHEDMO C=C(C)C[N@H+](C)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001174742338 1132456040 /nfs/dbraw/zinc/45/60/40/1132456040.db2.gz KOMRXMAMKULYMC-UHFFFAOYSA-N 1 1 330.472 3.988 20 30 EHEDMO COc1ccc(C#N)cc1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000746451001 1132536783 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EHEDMO C[N@@H+](CCC1(C(=O)OC(C)(C)C)CCC1)Cc1cc(C#N)cs1 ZINC001176556427 1132966421 /nfs/dbraw/zinc/96/64/21/1132966421.db2.gz XHOYXXAHZPFWQE-UHFFFAOYSA-N 1 1 334.485 3.954 20 30 EHEDMO C[C@]1(Cc2cccs2)CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC001176665009 1132978752 /nfs/dbraw/zinc/97/87/52/1132978752.db2.gz PSMWFEPHBSCZOV-LJQANCHMSA-N 1 1 339.464 3.655 20 30 EHEDMO C=CCCC[N@H+](CC)Cc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC001176798117 1132997557 /nfs/dbraw/zinc/99/75/57/1132997557.db2.gz LBUSJZIODNDUMV-UHFFFAOYSA-N 1 1 328.412 3.916 20 30 EHEDMO C#CCOc1ccc(C[NH2+]C[C@H](C(C)C)N2CCC(C)CC2)cc1 ZINC001177257609 1133046239 /nfs/dbraw/zinc/04/62/39/1133046239.db2.gz WIYQVXUQKTYMQF-OAQYLSRUSA-N 1 1 328.500 3.545 20 30 EHEDMO C=CCn1cc(C[NH2+]Cc2ccc(-c3ccccc3F)s2)nn1 ZINC001178987106 1133219031 /nfs/dbraw/zinc/21/90/31/1133219031.db2.gz XZAAHZOWUDKEDS-UHFFFAOYSA-N 1 1 328.416 3.622 20 30 EHEDMO C#CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000769514704 1133307307 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EHEDMO Cc1coc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3C)C2)c1C#N ZINC001182319498 1133628063 /nfs/dbraw/zinc/62/80/63/1133628063.db2.gz CSTNFTJTMIVJEJ-QGZVFWFLSA-N 1 1 337.423 3.619 20 30 EHEDMO C#CC(C)(C)C(=O)Nc1cccc2c1C[N@@H+](C)C[C@H]2c1ccccc1 ZINC001182638119 1133708768 /nfs/dbraw/zinc/70/87/68/1133708768.db2.gz IZIXDJZDHYZVSD-SFHVURJKSA-N 1 1 332.447 3.862 20 30 EHEDMO C=CCSCC(=O)N1CC2(C1)CC[N@H+](C[C@H](CC)CCCC)C2 ZINC001273477213 1133726946 /nfs/dbraw/zinc/72/69/46/1133726946.db2.gz BJMHNAAFXZNEMP-QGZVFWFLSA-N 1 1 338.561 3.656 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1F ZINC000774702836 1133883837 /nfs/dbraw/zinc/88/38/37/1133883837.db2.gz FKTWUIBXEJOIEW-RBUKOAKNSA-N 1 1 342.389 3.925 20 30 EHEDMO C#CCC1(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CCCCC1 ZINC000788151102 1134088066 /nfs/dbraw/zinc/08/80/66/1134088066.db2.gz DNRVPFNTMIKYCD-UHFFFAOYSA-N 1 1 338.495 3.695 20 30 EHEDMO C[C@H](CCNc1c(C#N)cccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC001185639501 1134115661 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CCCCCCCNC(=O)N1CCCN(c2cccc(C)[nH+]2)CC1 ZINC001191096339 1134801488 /nfs/dbraw/zinc/80/14/88/1134801488.db2.gz WZVYDUBOBNTNSD-UHFFFAOYSA-N 1 1 332.492 3.582 20 30 EHEDMO Cc1ccc(C(C)(C)C[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001191244453 1134835347 /nfs/dbraw/zinc/83/53/47/1134835347.db2.gz JPUSBCAPLHVEKH-UHFFFAOYSA-N 1 1 335.451 3.715 20 30 EHEDMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001170436055 1134975420 /nfs/dbraw/zinc/97/54/20/1134975420.db2.gz FQWPNDKSCWWUAY-IBGZPJMESA-N 1 1 334.419 3.666 20 30 EHEDMO N#Cc1c(F)cccc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000794410535 1135045233 /nfs/dbraw/zinc/04/52/33/1135045233.db2.gz ANONHZVJCTVTIL-KRWDZBQOSA-N 1 1 340.398 3.584 20 30 EHEDMO N#Cc1c(F)cccc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000794410535 1135045236 /nfs/dbraw/zinc/04/52/36/1135045236.db2.gz ANONHZVJCTVTIL-KRWDZBQOSA-N 1 1 340.398 3.584 20 30 EHEDMO COC(=O)c1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)c(F)c1 ZINC000775552606 1135073179 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CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2csc(C)n2)ccc1OC ZINC000772980501 1137406717 /nfs/dbraw/zinc/40/67/17/1137406717.db2.gz QGLDPMINFONIKR-IUODEOHRSA-N 1 1 345.468 3.992 20 30 EHEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)o2)CC2CC2)c(OC)c1 ZINC000282733431 1137443318 /nfs/dbraw/zinc/44/33/18/1137443318.db2.gz MMOGZJQTLKMWBD-UHFFFAOYSA-N 1 1 326.396 3.581 20 30 EHEDMO COc1ccc(C[N@H+](Cc2ccc(C#N)o2)CC2CC2)c(OC)c1 ZINC000282733431 1137443320 /nfs/dbraw/zinc/44/33/20/1137443320.db2.gz MMOGZJQTLKMWBD-UHFFFAOYSA-N 1 1 326.396 3.581 20 30 EHEDMO C=CCCCCC[N@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1nccs1 ZINC000348128079 1137443892 /nfs/dbraw/zinc/44/38/92/1137443892.db2.gz YWTFGEBQFPGZTR-CVEARBPZSA-N 1 1 325.497 3.734 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c(O)c(OC)c1 ZINC000773257347 1137481958 /nfs/dbraw/zinc/48/19/58/1137481958.db2.gz DCSWNVQFHPPHAT-ZWKOTPCHSA-N 1 1 345.483 3.768 20 30 EHEDMO C[C@]1(c2cccc(F)c2)CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001171773127 1137509558 /nfs/dbraw/zinc/50/95/58/1137509558.db2.gz SMCWFKOOWBJDIJ-IBGZPJMESA-N 1 1 339.370 3.769 20 30 EHEDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001171773127 1137509560 /nfs/dbraw/zinc/50/95/60/1137509560.db2.gz SMCWFKOOWBJDIJ-IBGZPJMESA-N 1 1 339.370 3.769 20 30 EHEDMO C#C[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001172102721 1137536638 /nfs/dbraw/zinc/53/66/38/1137536638.db2.gz PQMXRZPWSJMIOF-FJIDUMEYSA-N 1 1 332.488 3.652 20 30 EHEDMO CCOC(=O)C[N@H+](Cc1ccccc1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172307527 1137545659 /nfs/dbraw/zinc/54/56/59/1137545659.db2.gz FPXDRSYEQQWRBI-KRWDZBQOSA-N 1 1 336.435 3.555 20 30 EHEDMO CCOC(=O)C[N@@H+](Cc1ccccc1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172307527 1137545660 /nfs/dbraw/zinc/54/56/60/1137545660.db2.gz FPXDRSYEQQWRBI-KRWDZBQOSA-N 1 1 336.435 3.555 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001172313390 1137546170 /nfs/dbraw/zinc/54/61/70/1137546170.db2.gz WECMESSXGAKRDT-MEDUHNTESA-N 1 1 334.345 3.846 20 30 EHEDMO Cc1cccc(O[C@@H]2CCC[N@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)n1 ZINC001172312588 1137546452 /nfs/dbraw/zinc/54/64/52/1137546452.db2.gz HITSENWMRLVDDI-FXAWDEMLSA-N 1 1 335.451 3.736 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001172356797 1137554318 /nfs/dbraw/zinc/55/43/18/1137554318.db2.gz YIGBEZVVFQDZHQ-IAGOWNOFSA-N 1 1 336.524 3.890 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001172356797 1137554319 /nfs/dbraw/zinc/55/43/19/1137554319.db2.gz YIGBEZVVFQDZHQ-IAGOWNOFSA-N 1 1 336.524 3.890 20 30 EHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H]2CN(C(C)=O)CCO[C@@H]2C1 ZINC001172356027 1137554325 /nfs/dbraw/zinc/55/43/25/1137554325.db2.gz GBSIUVYTXAOGSZ-HSALFYBXSA-N 1 1 338.536 3.695 20 30 EHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(C)c(N3CCCC3)c2)no1 ZINC000872182663 1137575520 /nfs/dbraw/zinc/57/55/20/1137575520.db2.gz YNHVEQUWBFODHL-CQSZACIVSA-N 1 1 332.835 3.788 20 30 EHEDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccccc1-c1ccccc1C#N ZINC000874849424 1137624641 /nfs/dbraw/zinc/62/46/41/1137624641.db2.gz XYXIJCCVQAMNDP-RTWAWAEBSA-N 1 1 345.446 3.534 20 30 EHEDMO Cc1cc(F)c(C#N)cc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000874900384 1137625778 /nfs/dbraw/zinc/62/57/78/1137625778.db2.gz GWFNXUSBGVMXGH-AWEZNQCLSA-N 1 1 329.419 3.599 20 30 EHEDMO C[C@H](CCC#N)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000876636733 1137657775 /nfs/dbraw/zinc/65/77/75/1137657775.db2.gz LKAUZNXGXYSRHA-VPSFDDGASA-N 1 1 335.492 3.789 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)n1 ZINC000876804981 1137661817 /nfs/dbraw/zinc/66/18/17/1137661817.db2.gz WCMYMLCFZBGVOL-QZTJIDSGSA-N 1 1 341.480 3.883 20 30 EHEDMO C[C@@H](CCNCc1cc(C#N)cnc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000877079664 1137669729 /nfs/dbraw/zinc/66/97/29/1137669729.db2.gz IMDZIGVMTKMFBF-HNNXBMFYSA-N 1 1 342.874 3.607 20 30 EHEDMO Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(OCC#N)cc3)C2)cc1 ZINC001137119377 1137674728 /nfs/dbraw/zinc/67/47/28/1137674728.db2.gz KLFJIJIHMBKYRD-NRFANRHFSA-N 1 1 336.435 3.941 20 30 EHEDMO Cc1ccc([C@@]2(C)C[N@H+](Cc3ccc(OCC#N)cc3)CCO2)cc1 ZINC001137120368 1137677371 /nfs/dbraw/zinc/67/73/71/1137677371.db2.gz ICJKFLCIGVUYAH-OAQYLSRUSA-N 1 1 336.435 3.645 20 30 EHEDMO Cc1ccc([C@@]2(C)C[N@@H+](Cc3ccc(OCC#N)cc3)CCO2)cc1 ZINC001137120368 1137677372 /nfs/dbraw/zinc/67/73/72/1137677372.db2.gz ICJKFLCIGVUYAH-OAQYLSRUSA-N 1 1 336.435 3.645 20 30 EHEDMO C#CCCCCCC[N@@H+]1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000877489228 1137678181 /nfs/dbraw/zinc/67/81/81/1137678181.db2.gz LPQMAKBCQHVNFA-HNNXBMFYSA-N 1 1 334.485 3.959 20 30 EHEDMO CCOc1cc(F)cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000877498753 1137678734 /nfs/dbraw/zinc/67/87/34/1137678734.db2.gz VAXCLWYASBAJOA-UHFFFAOYSA-N 1 1 339.414 3.677 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC[C@H](C(F)(F)F)O1 ZINC000877822603 1137692049 /nfs/dbraw/zinc/69/20/49/1137692049.db2.gz ROCPIXQYVZUWAJ-CZUORRHYSA-N 1 1 338.373 3.783 20 30 EHEDMO C=C(C)C[N@@H+](CC)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000877936476 1137696354 /nfs/dbraw/zinc/69/63/54/1137696354.db2.gz VLJIDUSZYYCINN-UHFFFAOYSA-N 1 1 336.779 3.696 20 30 EHEDMO C=C(C)C[N@H+](CC)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000877936476 1137696355 /nfs/dbraw/zinc/69/63/55/1137696355.db2.gz VLJIDUSZYYCINN-UHFFFAOYSA-N 1 1 336.779 3.696 20 30 EHEDMO CC1(C)C[C@H](C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C(C)(C)O1 ZINC000878322649 1137710909 /nfs/dbraw/zinc/71/09/09/1137710909.db2.gz LQBZVKSNKHCBJM-MSOLQXFVSA-N 1 1 328.456 3.525 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC=C(c2ccco2)C1)c1ccccc1 ZINC000878599135 1137721752 /nfs/dbraw/zinc/72/17/52/1137721752.db2.gz UKEDVJFAYRSIJD-NRFANRHFSA-N 1 1 334.419 3.809 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC=C(c2ccco2)C1)c1ccccc1 ZINC000878599135 1137721753 /nfs/dbraw/zinc/72/17/53/1137721753.db2.gz UKEDVJFAYRSIJD-NRFANRHFSA-N 1 1 334.419 3.809 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1Cc2ccccc2O[C@H](C)C1)c1ccccc1 ZINC000878645460 1137723560 /nfs/dbraw/zinc/72/35/60/1137723560.db2.gz MBCWLXOODLEWJL-VGSWGCGISA-N 1 1 348.446 3.710 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1Cc2ccccc2O[C@H](C)C1)c1ccccc1 ZINC000878645460 1137723561 /nfs/dbraw/zinc/72/35/61/1137723561.db2.gz MBCWLXOODLEWJL-VGSWGCGISA-N 1 1 348.446 3.710 20 30 EHEDMO Cc1ccc(-c2noc(C[N@H+](C)CCc3cccc(C#N)c3)n2)cc1 ZINC000879434570 1137747709 /nfs/dbraw/zinc/74/77/09/1137747709.db2.gz LFOCZXFPWKCHPV-UHFFFAOYSA-N 1 1 332.407 3.591 20 30 EHEDMO Cc1ccc(-c2noc(C[N@@H+](C)CCc3cccc(C#N)c3)n2)cc1 ZINC000879434570 1137747710 /nfs/dbraw/zinc/74/77/10/1137747710.db2.gz LFOCZXFPWKCHPV-UHFFFAOYSA-N 1 1 332.407 3.591 20 30 EHEDMO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879434251 1137747755 /nfs/dbraw/zinc/74/77/55/1137747755.db2.gz GYIDIVQKXTYKKO-ZDUSSCGKSA-N 1 1 338.436 3.905 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879558085 1137750837 /nfs/dbraw/zinc/75/08/37/1137750837.db2.gz QWBOKANRUMUSMR-GJZGRUSLSA-N 1 1 348.537 3.588 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879558085 1137750838 /nfs/dbraw/zinc/75/08/38/1137750838.db2.gz QWBOKANRUMUSMR-GJZGRUSLSA-N 1 1 348.537 3.588 20 30 EHEDMO C=CC(C)(C)CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000879944283 1137762996 /nfs/dbraw/zinc/76/29/96/1137762996.db2.gz CFOKRALBMIORSH-OAQYLSRUSA-N 1 1 326.484 3.713 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@](C)(C(F)(F)F)C1)c1ccccc1 ZINC000880005453 1137764771 /nfs/dbraw/zinc/76/47/71/1137764771.db2.gz XQNDFSQRZOLOFQ-IRXDYDNUSA-N 1 1 338.373 3.701 20 30 EHEDMO COC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000880040496 1137766388 /nfs/dbraw/zinc/76/63/88/1137766388.db2.gz WIXWPKBNYBRZSD-INIZCTEOSA-N 1 1 328.456 3.653 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880048491 1137766583 /nfs/dbraw/zinc/76/65/83/1137766583.db2.gz PUXIWGZLDIAKOZ-HNNXBMFYSA-N 1 1 326.362 3.641 20 30 EHEDMO CN(Cc1nc(C#N)cs1)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000880362066 1137776289 /nfs/dbraw/zinc/77/62/89/1137776289.db2.gz MYLAMVGPUAZPHX-SFHVURJKSA-N 1 1 340.496 3.501 20 30 EHEDMO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccc(Cl)cc2)cn1 ZINC000880519258 1137780500 /nfs/dbraw/zinc/78/05/00/1137780500.db2.gz KVSLEGVZBIXNLD-XGSMCBPESA-N 1 1 339.870 3.836 20 30 EHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C3CC3)c(C#N)c2)C[C@@H]1C ZINC000881125879 1137800786 /nfs/dbraw/zinc/80/07/86/1137800786.db2.gz WBCQFFFTLOYJRC-KBXCAEBGSA-N 1 1 340.471 3.772 20 30 EHEDMO C=CCc1cc(C[NH2+]Cc2cc(F)cc(F)c2O)cc(OC)c1OC ZINC000882985227 1137840393 /nfs/dbraw/zinc/84/03/93/1137840393.db2.gz NPYPLJFRHSGJFW-UHFFFAOYSA-N 1 1 349.377 3.706 20 30 EHEDMO C#Cc1ccc(C[NH2+]Cc2c[nH]c(=NC(=O)OC(C)(C)C)s2)cc1 ZINC000883132275 1137845912 /nfs/dbraw/zinc/84/59/12/1137845912.db2.gz LDOPCLWBVBAFBX-UHFFFAOYSA-N 1 1 343.452 3.761 20 30 EHEDMO CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1O ZINC000103479537 1137876541 /nfs/dbraw/zinc/87/65/41/1137876541.db2.gz NEICOUHKRBTGBQ-UHFFFAOYSA-N 1 1 337.423 3.505 20 30 EHEDMO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000117344403 1137929966 /nfs/dbraw/zinc/92/99/66/1137929966.db2.gz NEROXFLDXZJFNW-OAHLLOKOSA-N 1 1 331.485 3.753 20 30 EHEDMO C[N@H+](Cc1ccc(C#N)o1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000119061101 1137937606 /nfs/dbraw/zinc/93/76/06/1137937606.db2.gz IKFUVJMUCRYFAZ-HOTGVXAUSA-N 1 1 337.206 3.548 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)o1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000119061101 1137937607 /nfs/dbraw/zinc/93/76/07/1137937607.db2.gz IKFUVJMUCRYFAZ-HOTGVXAUSA-N 1 1 337.206 3.548 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000332479287 1137945081 /nfs/dbraw/zinc/94/50/81/1137945081.db2.gz LYYZAFRPYKCRAR-HNNXBMFYSA-N 1 1 333.435 3.679 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000332479287 1137945082 /nfs/dbraw/zinc/94/50/82/1137945082.db2.gz LYYZAFRPYKCRAR-HNNXBMFYSA-N 1 1 333.435 3.679 20 30 EHEDMO C#CCCCCC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000120232891 1137947516 /nfs/dbraw/zinc/94/75/16/1137947516.db2.gz YMVWEOOQZWZGHQ-FQEVSTJZSA-N 1 1 326.484 3.551 20 30 EHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1 ZINC000134783335 1137960665 /nfs/dbraw/zinc/96/06/65/1137960665.db2.gz YXHFRZFMHCZSCB-AZUAARDMSA-N 1 1 342.389 3.925 20 30 EHEDMO CCOc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)CC2(C#N)CCC2)cc1 ZINC000885933068 1138026067 /nfs/dbraw/zinc/02/60/67/1138026067.db2.gz IHKOAUVTXQIYTR-HKUYNNGSSA-N 1 1 328.456 3.667 20 30 EHEDMO C[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000886273609 1138063244 /nfs/dbraw/zinc/06/32/44/1138063244.db2.gz CODJPKUWDPYCHK-DENIHFKCSA-N 1 1 349.478 3.792 20 30 EHEDMO C[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000886273609 1138063246 /nfs/dbraw/zinc/06/32/46/1138063246.db2.gz CODJPKUWDPYCHK-DENIHFKCSA-N 1 1 349.478 3.792 20 30 EHEDMO CSc1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)cc1C#N ZINC000886276971 1138063632 /nfs/dbraw/zinc/06/36/32/1138063632.db2.gz BXFXOIGNUSIFJZ-UHFFFAOYSA-N 1 1 329.494 3.905 20 30 EHEDMO COc1cc(F)cc(OC)c1C[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC000886277007 1138063697 /nfs/dbraw/zinc/06/36/97/1138063697.db2.gz CWTTZTKQKYFXDB-UHFFFAOYSA-N 1 1 346.427 3.726 20 30 EHEDMO N#CC1(C[C@H](O)C[N@H+]2CCCSC[C@@H]2c2ccccc2)CCC1 ZINC000886318065 1138066978 /nfs/dbraw/zinc/06/69/78/1138066978.db2.gz IKXLKWVALBOVBH-ZWKOTPCHSA-N 1 1 330.497 3.611 20 30 EHEDMO C#CC[C@H]1CC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000886353938 1138070181 /nfs/dbraw/zinc/07/01/81/1138070181.db2.gz SPZUTJFSHUVETH-AWEZNQCLSA-N 1 1 330.428 3.706 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000886353938 1138070183 /nfs/dbraw/zinc/07/01/83/1138070183.db2.gz SPZUTJFSHUVETH-AWEZNQCLSA-N 1 1 330.428 3.706 20 30 EHEDMO C=CCC1(O)CC[NH+](Cc2csc(-c3ccccc3OC)n2)CC1 ZINC000886757904 1138133157 /nfs/dbraw/zinc/13/31/57/1138133157.db2.gz UXYAXYMGKSQJLH-UHFFFAOYSA-N 1 1 344.480 3.722 20 30 EHEDMO C=CCC1(O)CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3o2)CC1 ZINC000886768775 1138136688 /nfs/dbraw/zinc/13/66/88/1138136688.db2.gz IAHHUAXBYFMXRO-UHFFFAOYSA-N 1 1 340.345 3.750 20 30 EHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)[C@H](C)CC#N)c1 ZINC000086283148 1138186407 /nfs/dbraw/zinc/18/64/07/1138186407.db2.gz DQVMUCRDEFFANA-OAHLLOKOSA-N 1 1 339.443 3.821 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091631339 1138220282 /nfs/dbraw/zinc/22/02/82/1138220282.db2.gz GZTOJKJWBZYMLH-KRWDZBQOSA-N 1 1 349.482 3.794 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)cc1Cl ZINC000091855711 1138222168 /nfs/dbraw/zinc/22/21/68/1138222168.db2.gz YFPXGIXWNWHUGO-RDJZCZTQSA-N 1 1 339.888 3.611 20 30 EHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC34CCC4)sc2C1 ZINC000334056543 1138366086 /nfs/dbraw/zinc/36/60/86/1138366086.db2.gz VROKJXSOPJFBPH-CYBMUJFWSA-N 1 1 343.496 3.702 20 30 EHEDMO CCn1cc(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)nn1 ZINC000887571029 1138454140 /nfs/dbraw/zinc/45/41/40/1138454140.db2.gz SKBHJSXMAXIWKT-HNNXBMFYSA-N 1 1 331.423 3.687 20 30 EHEDMO N#CC1(CCC[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)CCOCC1 ZINC000337136492 1138475685 /nfs/dbraw/zinc/47/56/85/1138475685.db2.gz NEDPJLGSHYVLKO-FQEVSTJZSA-N 1 1 342.483 3.768 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000264395389 1138500344 /nfs/dbraw/zinc/50/03/44/1138500344.db2.gz BUUJAZCNKRCJPJ-ZBFHGGJFSA-N 1 1 337.398 3.514 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000264395389 1138500350 /nfs/dbraw/zinc/50/03/50/1138500350.db2.gz BUUJAZCNKRCJPJ-ZBFHGGJFSA-N 1 1 337.398 3.514 20 30 EHEDMO N#CCOc1ccc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000264523997 1138546832 /nfs/dbraw/zinc/54/68/32/1138546832.db2.gz BIIWUVNCYBDOSP-GOSISDBHSA-N 1 1 342.464 3.832 20 30 EHEDMO N#CCOc1ccc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000264529144 1138548496 /nfs/dbraw/zinc/54/84/96/1138548496.db2.gz CVFWTVDMFOGZTO-OAQYLSRUSA-N 1 1 336.435 3.770 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000337756010 1138660231 /nfs/dbraw/zinc/66/02/31/1138660231.db2.gz BLMFAXBRMIHBRV-PXNSSMCTSA-N 1 1 347.462 3.507 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000337799700 1138671526 /nfs/dbraw/zinc/67/15/26/1138671526.db2.gz GDFZGUZCDCJFAV-UZLBHIALSA-N 1 1 347.462 3.650 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000265102237 1138728845 /nfs/dbraw/zinc/72/88/45/1138728845.db2.gz XWQHPRJKCUSASR-ICSRJNTNSA-N 1 1 341.499 3.675 20 30 EHEDMO CC1=C(c2ccco2)C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000338348358 1138846191 /nfs/dbraw/zinc/84/61/91/1138846191.db2.gz ZZXPGPWOYXWCDA-UHFFFAOYSA-N 1 1 335.407 3.659 20 30 EHEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000153024517 1139119688 /nfs/dbraw/zinc/11/96/88/1139119688.db2.gz VFHAPYNYEOLXCH-SFHVURJKSA-N 1 1 338.499 3.623 20 30 EHEDMO C[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000174857292 1139446147 /nfs/dbraw/zinc/44/61/47/1139446147.db2.gz BXRQPYCVFBTPSM-MRXNPFEDSA-N 1 1 333.863 3.707 20 30 EHEDMO C=CC[NH+]1CCC(N[C@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000177913177 1139654513 /nfs/dbraw/zinc/65/45/13/1139654513.db2.gz VGKKUYSQYYCXGS-GFCCVEGCSA-N 1 1 328.378 3.728 20 30 EHEDMO NC(=[NH+]OCc1nnc(-c2ccccc2Cl)o1)C1CCCCC1 ZINC000178412619 1139693037 /nfs/dbraw/zinc/69/30/37/1139693037.db2.gz CNDOSCYYUJTFJF-UHFFFAOYSA-N 1 1 334.807 3.759 20 30 EHEDMO C=CCCCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000178588037 1139706348 /nfs/dbraw/zinc/70/63/48/1139706348.db2.gz QAKDDWUADOCILD-UXHICEINSA-N 1 1 326.484 3.856 20 30 EHEDMO CS[C@@H]1CCCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180283249 1139824579 /nfs/dbraw/zinc/82/45/79/1139824579.db2.gz OHQQPPSIMVYHFF-GOSISDBHSA-N 1 1 340.496 3.676 20 30 EHEDMO Cn1cc(C[NH2+]Cc2nc(C3CC3)cs2)c(-c2ccc(C#N)cc2)n1 ZINC000180301669 1139825411 /nfs/dbraw/zinc/82/54/11/1139825411.db2.gz MRFKAULSJZUYNI-UHFFFAOYSA-N 1 1 349.463 3.582 20 30 EHEDMO C[C@H](NC(=O)Nc1ccc(CC#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182923354 1140002085 /nfs/dbraw/zinc/00/20/85/1140002085.db2.gz YWBWSXIUKKNBKC-RDJZCZTQSA-N 1 1 340.471 3.527 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000186411919 1140202531 /nfs/dbraw/zinc/20/25/31/1140202531.db2.gz ARQIBOHJOCSGHI-KRWDZBQOSA-N 1 1 335.451 3.588 20 30 EHEDMO C=CCC1(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000188478366 1140298050 /nfs/dbraw/zinc/29/80/50/1140298050.db2.gz FXGDYORHUURPMO-LJQANCHMSA-N 1 1 326.484 3.713 20 30 EHEDMO C=CCC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1)c1ccccc1 ZINC000189943151 1140374115 /nfs/dbraw/zinc/37/41/15/1140374115.db2.gz BDFNTKYVRRZOEK-ICSRJNTNSA-N 1 1 328.500 3.927 20 30 EHEDMO CC[N@H+]1CCC[C@H]1Cn1c(C)cc(C=NOCCC(F)(F)F)c1C ZINC000777458099 1140376929 /nfs/dbraw/zinc/37/69/29/1140376929.db2.gz FDNRTQMOMFPHEW-INIZCTEOSA-N 1 1 345.409 3.892 20 30 EHEDMO Cn1cc(C[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc1C#N ZINC000191253090 1140448180 /nfs/dbraw/zinc/44/81/80/1140448180.db2.gz ZQFCKEGYESFQFT-UHFFFAOYSA-N 1 1 334.398 3.806 20 30 EHEDMO C=C(Cl)C[NH+]1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000192339275 1140524046 /nfs/dbraw/zinc/52/40/46/1140524046.db2.gz JFMOITICHOOMBV-UHFFFAOYSA-N 1 1 333.819 3.677 20 30 EHEDMO C[N@@H+](Cc1ccccc1)C1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000717468765 1140646284 /nfs/dbraw/zinc/64/62/84/1140646284.db2.gz BKBLBYVSBWJKHF-UHFFFAOYSA-N 1 1 337.442 3.794 20 30 EHEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](c4ccc(F)cc4)C3)o2)cc1 ZINC000267993779 1140863359 /nfs/dbraw/zinc/86/33/59/1140863359.db2.gz BDVKYCZNVWWNJU-KRWDZBQOSA-N 1 1 348.381 3.737 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2ccnc(N3CCCCCC3)c2)c(F)c1 ZINC000269424666 1141106504 /nfs/dbraw/zinc/10/65/04/1141106504.db2.gz NEOFZKBWPOURRA-UHFFFAOYSA-N 1 1 338.430 3.763 20 30 EHEDMO Cc1oc(NC(=O)C[N@H+](Cc2cccs2)C(C)C)c(C#N)c1C ZINC000269539005 1141119432 /nfs/dbraw/zinc/11/94/32/1141119432.db2.gz USOBOHVVNGSCDZ-UHFFFAOYSA-N 1 1 331.441 3.679 20 30 EHEDMO Cc1oc(NC(=O)C[N@@H+](Cc2cccs2)C(C)C)c(C#N)c1C ZINC000269539005 1141119434 /nfs/dbraw/zinc/11/94/34/1141119434.db2.gz USOBOHVVNGSCDZ-UHFFFAOYSA-N 1 1 331.441 3.679 20 30 EHEDMO C=C(C)[C@H](CC(=O)NCc1ccccc1C[N@@H+](C)C(C)C)OCC ZINC000270011135 1141167383 /nfs/dbraw/zinc/16/73/83/1141167383.db2.gz FLBGKSCZUAACAN-IBGZPJMESA-N 1 1 332.488 3.514 20 30 EHEDMO CC[N@@H+](CCc1cccs1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000270782056 1141270352 /nfs/dbraw/zinc/27/03/52/1141270352.db2.gz OVLMZTKRMLNGCC-CQSZACIVSA-N 1 1 327.453 3.511 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc1)C(C)C ZINC000274322813 1141497608 /nfs/dbraw/zinc/49/76/08/1141497608.db2.gz KVYVPITYQDDDHA-FQEVSTJZSA-N 1 1 329.488 3.975 20 30 EHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000348643321 1141561658 /nfs/dbraw/zinc/56/16/58/1141561658.db2.gz LVIFXCNMSXVSAN-UHFFFAOYSA-N 1 1 341.411 3.642 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000348643321 1141561659 /nfs/dbraw/zinc/56/16/59/1141561659.db2.gz LVIFXCNMSXVSAN-UHFFFAOYSA-N 1 1 341.411 3.642 20 30 EHEDMO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1CCCC#N)OCCO3 ZINC000055505031 201134559 /nfs/dbraw/zinc/13/45/59/201134559.db2.gz BSJGYJRONIPWIM-HNNXBMFYSA-N 1 1 326.440 3.950 20 30 EHEDMO CCN(CCC#N)c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000301602486 721987634 /nfs/dbraw/zinc/98/76/34/721987634.db2.gz KEXJGBLAAOICJJ-UHFFFAOYSA-N 1 1 343.500 3.644 20 30 EHEDMO CCSc1cccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000430179238 1014609842 /nfs/dbraw/zinc/60/98/42/1014609842.db2.gz OFHLAUXKHWTTOX-QGZVFWFLSA-N 1 1 339.464 3.719 20 30 EHEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ncc(Br)cc1F ZINC000186987534 1014763290 /nfs/dbraw/zinc/76/32/90/1014763290.db2.gz SSDUDHJKKBFGGN-JTQLQIEISA-N 1 1 334.192 3.706 20 30 EHEDMO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000536672113 1032107608 /nfs/dbraw/zinc/10/76/08/1032107608.db2.gz AAMXTESLGCWDMW-RTBURBONSA-N 1 1 330.435 3.915 20 30 EHEDMO Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000536672113 1032107614 /nfs/dbraw/zinc/10/76/14/1032107614.db2.gz AAMXTESLGCWDMW-RTBURBONSA-N 1 1 330.435 3.915 20 30 EHEDMO COCC[N@@H+](CCCOc1ccc(F)cc1)Cc1ccc(C#N)s1 ZINC000536675952 1032114597 /nfs/dbraw/zinc/11/45/97/1032114597.db2.gz FJKVJOXBKVBGQQ-UHFFFAOYSA-N 1 1 348.443 3.676 20 30 EHEDMO N#Cc1sc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1Cl ZINC000306767479 1015757504 /nfs/dbraw/zinc/75/75/04/1015757504.db2.gz OZHLIHCQWSQXPK-ZDUSSCGKSA-N 1 1 332.860 3.745 20 30 EHEDMO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(C#N)c1)c1ccccc1Cl ZINC000043330113 1016341699 /nfs/dbraw/zinc/34/16/99/1016341699.db2.gz HWHGGKMTGBBFDW-KRWDZBQOSA-N 1 1 342.830 3.636 20 30 EHEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1C#N ZINC000340145939 1016461181 /nfs/dbraw/zinc/46/11/81/1016461181.db2.gz BPZNFPNMCCDXTA-QGZVFWFLSA-N 1 1 336.391 3.633 20 30 EHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000589226156 1016643720 /nfs/dbraw/zinc/64/37/20/1016643720.db2.gz ROHSPQMWMPBBRC-ZDUSSCGKSA-N 1 1 343.924 3.829 20 30 EHEDMO N#CC1(c2ccccn2)CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000376594629 1016728838 /nfs/dbraw/zinc/72/88/38/1016728838.db2.gz GCOZTECFLVGWNR-UHFFFAOYSA-N 1 1 341.842 3.671 20 30 EHEDMO C=C[C@](C)(CC)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000188380746 1016828746 /nfs/dbraw/zinc/82/87/46/1016828746.db2.gz YRZRCWMFBCZEKY-SMLSOGCJSA-N 1 1 326.484 3.901 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cc(Cl)c3c(c2)OCCCO3)no1 ZINC000904660213 1032183768 /nfs/dbraw/zinc/18/37/68/1032183768.db2.gz OEIMOLDYDDTLIQ-ZDUSSCGKSA-N 1 1 349.818 3.907 20 30 EHEDMO C=CC[NH+]1CCC(NCc2cnc(CCc3ccccc3)s2)CC1 ZINC000449122314 1032214300 /nfs/dbraw/zinc/21/43/00/1032214300.db2.gz KZMCDQQRZAKPHD-UHFFFAOYSA-N 1 1 341.524 3.668 20 30 EHEDMO CC[C@H](C)[C@H]1CN(CCC(C)(C)C#N)CC[N@H+]1CCC(C)(C)C#N ZINC000538468075 1032393755 /nfs/dbraw/zinc/39/37/55/1032393755.db2.gz RGIMZQXVADNAHB-ZWKOTPCHSA-N 1 1 332.536 3.898 20 30 EHEDMO CC[C@H](C)[C@H]1C[N@H+](CCC(C)(C)C#N)CCN1CCC(C)(C)C#N ZINC000538468075 1032393764 /nfs/dbraw/zinc/39/37/64/1032393764.db2.gz RGIMZQXVADNAHB-ZWKOTPCHSA-N 1 1 332.536 3.898 20 30 EHEDMO CC[C@H](C)[C@H]1C[N@@H+](CCC(C)(C)C#N)CCN1CCC(C)(C)C#N ZINC000538468075 1032393781 /nfs/dbraw/zinc/39/37/81/1032393781.db2.gz RGIMZQXVADNAHB-ZWKOTPCHSA-N 1 1 332.536 3.898 20 30 EHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459683061 1032410861 /nfs/dbraw/zinc/41/08/61/1032410861.db2.gz SFXJCTUQQOEGEY-UHFFFAOYSA-N 1 1 339.826 3.599 20 30 EHEDMO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449302056 1032419825 /nfs/dbraw/zinc/41/98/25/1032419825.db2.gz UDOXOXYPTOCKNK-CBQOVEMMSA-N 1 1 342.527 3.653 20 30 EHEDMO N#Cc1cccc(C[NH+]2CCC(Oc3cccc(F)c3)CC2)c1F ZINC000528575023 1032453939 /nfs/dbraw/zinc/45/39/39/1032453939.db2.gz VLPYDUVOGAZLEA-UHFFFAOYSA-N 1 1 328.362 3.880 20 30 EHEDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000537035893 1032494395 /nfs/dbraw/zinc/49/43/95/1032494395.db2.gz BRFQREKTVIZACB-OAHLLOKOSA-N 1 1 341.405 3.715 20 30 EHEDMO C=CCCC[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000537239927 1032574632 /nfs/dbraw/zinc/57/46/32/1032574632.db2.gz UWQWZOPVJFPVJK-AEFFLSMTSA-N 1 1 332.513 3.638 20 30 EHEDMO C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(C(=O)NCC#N)cc2)cc1 ZINC000592985954 1032658237 /nfs/dbraw/zinc/65/82/37/1032658237.db2.gz JFAOWBDUQSCZPF-MRXNPFEDSA-N 1 1 333.435 3.591 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC(C)(C)CCC#N)C1 ZINC000377050924 1017291488 /nfs/dbraw/zinc/29/14/88/1017291488.db2.gz LMXYDLISFKPJSR-QZTJIDSGSA-N 1 1 348.535 3.612 20 30 EHEDMO N#Cc1ccc(C2=CC[N@@H+](CCCC3(C#N)CCOCC3)CC2)cc1 ZINC000375611263 1017450402 /nfs/dbraw/zinc/45/04/02/1017450402.db2.gz JFNFRHSXEMSNFV-UHFFFAOYSA-N 1 1 335.451 3.748 20 30 EHEDMO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(C#N)cc1 ZINC000549175065 1017497408 /nfs/dbraw/zinc/49/74/08/1017497408.db2.gz XWIJXQUKHSPVBS-ZDUSSCGKSA-N 1 1 348.362 3.972 20 30 EHEDMO CCC[N@@H+](C)C[C@H]1CCN(c2c(C#N)cnc3c(F)ccc(F)c32)C1 ZINC000610282668 1017621065 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EHEDMO C[C@@H]1C[C@@H](NC(=O)C2(C#N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000079554548 1018145532 /nfs/dbraw/zinc/14/55/32/1018145532.db2.gz KNBVRJSLFQWUGH-MJGOQNOKSA-N 1 1 339.483 3.630 20 30 EHEDMO N#Cc1cnnc(-c2ccccc2)c1N=C1CCC([NH+]2CCCC2)CC1 ZINC001210706607 1018559144 /nfs/dbraw/zinc/55/91/44/1018559144.db2.gz PFHSBYKKKURGBZ-IBGZPJMESA-N 1 1 345.450 3.959 20 30 EHEDMO COC(=O)c1ccc([C@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000341126104 1018607340 /nfs/dbraw/zinc/60/73/40/1018607340.db2.gz NECCCKYOMINZAD-AWEZNQCLSA-N 1 1 336.391 3.788 20 30 EHEDMO COC(=O)c1ccc([C@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000341126104 1018607350 /nfs/dbraw/zinc/60/73/50/1018607350.db2.gz NECCCKYOMINZAD-AWEZNQCLSA-N 1 1 336.391 3.788 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000054762380 1032779113 /nfs/dbraw/zinc/77/91/13/1032779113.db2.gz CWRLZECAHAEOPA-UHFFFAOYSA-N 1 1 343.496 3.578 20 30 EHEDMO C[C@H]1CC(F)(F)CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000528771065 1032791491 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CC[C@@H](C/N=C/c1cccc(OC)c1O)[N@H+]1CCc2ccccc2C1 ZINC000075533132 1021167539 /nfs/dbraw/zinc/16/75/39/1021167539.db2.gz CKPQAFBLDYKLML-MEGCXXLRSA-N 1 1 338.451 3.657 20 30 EHEDMO C=CCC[N@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000276400803 1021189382 /nfs/dbraw/zinc/18/93/82/1021189382.db2.gz KNXZAXQYEIAWPO-SFHVURJKSA-N 1 1 332.444 3.601 20 30 EHEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000477169995 1021222908 /nfs/dbraw/zinc/22/29/08/1021222908.db2.gz LBORYECSXQWGJY-DYESRHJHSA-N 1 1 336.435 3.789 20 30 EHEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCCOc1cccc(C#N)c1 ZINC000477169995 1021222917 /nfs/dbraw/zinc/22/29/17/1021222917.db2.gz LBORYECSXQWGJY-DYESRHJHSA-N 1 1 336.435 3.789 20 30 EHEDMO N#Cc1cccc(OCCC[N@H+]2CC[C@H](n3ncc4ccccc43)C2)c1 ZINC000510439992 1021224676 /nfs/dbraw/zinc/22/46/76/1021224676.db2.gz BJOFGUYNZMEHAD-IBGZPJMESA-N 1 1 346.434 3.624 20 30 EHEDMO C=CCC[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccco1 ZINC000353684300 1021290127 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C=CCOC(=O)[C@@H](Nc1cc(F)c(C[NH+](C)C)c(F)c1)[C@@H](C)CC ZINC001167961564 1021472700 /nfs/dbraw/zinc/47/27/00/1021472700.db2.gz CFQDSRGUYARHGH-SJCJKPOMSA-N 1 1 340.414 3.582 20 30 EHEDMO C[C@@]1([NH2+]Cc2ccc(C#N)cc2OC(F)F)CCOc2ccccc21 ZINC000933370995 1021499098 /nfs/dbraw/zinc/49/90/98/1021499098.db2.gz QKKHTDYNCMZZFL-LJQANCHMSA-N 1 1 344.361 3.947 20 30 EHEDMO C=CCN(CC[N@H+]1CCC[C@@H](C(F)(F)F)C1)C(=O)OC(C)(C)C ZINC001207205746 1021539567 /nfs/dbraw/zinc/53/95/67/1021539567.db2.gz NDPBDOJSUQMTDP-CYBMUJFWSA-N 1 1 336.398 3.684 20 30 EHEDMO N#CC1(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CCCC1 ZINC000593650259 1032996638 /nfs/dbraw/zinc/99/66/38/1032996638.db2.gz QZNHEOYSXWUGJG-UHFFFAOYSA-N 1 1 347.256 3.898 20 30 EHEDMO COc1cc(C[N@H+]2C[C@@H](C)[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000550316219 1021820340 /nfs/dbraw/zinc/82/03/40/1021820340.db2.gz UWWQNMTZMCFGFW-HZPDHXFCSA-N 1 1 336.435 3.986 20 30 EHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437438721 1021839879 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N#Cc1ccc2c(c1)[C@@H](NC1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC000520293969 1022111937 /nfs/dbraw/zinc/11/19/37/1022111937.db2.gz MHWIQXCMLMWXIJ-QHCPKHFHSA-N 1 1 345.490 3.842 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437833382 1022195643 /nfs/dbraw/zinc/19/56/43/1022195643.db2.gz BVFXGJGNWCHAIZ-GHTZIAJQSA-N 1 1 347.462 3.639 20 30 EHEDMO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)n1 ZINC000933575947 1022215211 /nfs/dbraw/zinc/21/52/11/1022215211.db2.gz ROGGJZKDECEXIF-KRWDZBQOSA-N 1 1 338.455 3.634 20 30 EHEDMO CC(C)C[N@H+]1CC[C@H](CNc2cccc(Br)c2C#N)C1 ZINC000574330120 1033044596 /nfs/dbraw/zinc/04/45/96/1033044596.db2.gz MOWHGJLKLHICAY-CYBMUJFWSA-N 1 1 336.277 3.711 20 30 EHEDMO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cc(-c2ccccc2)on1 ZINC000581908046 1022285924 /nfs/dbraw/zinc/28/59/24/1022285924.db2.gz QQQWZVSGFYZHKU-UHFFFAOYSA-N 1 1 347.418 3.862 20 30 EHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cc(-c2ccccc2)on1 ZINC000581908046 1022285933 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CC[N@@H+](CCC1CCN(C(=O)c2ccsc2C#N)CC1)CC1CC1 ZINC000907208752 1039955397 /nfs/dbraw/zinc/95/53/97/1039955397.db2.gz YHZIQSMTSWGFRM-UHFFFAOYSA-N 1 1 345.512 3.594 20 30 EHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000489445526 1040000795 /nfs/dbraw/zinc/00/07/95/1040000795.db2.gz YJMBHEAZSPQCEM-GFCCVEGCSA-N 1 1 342.342 3.745 20 30 EHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000489445526 1040000810 /nfs/dbraw/zinc/00/08/10/1040000810.db2.gz YJMBHEAZSPQCEM-GFCCVEGCSA-N 1 1 342.342 3.745 20 30 EHEDMO C=C(C)CN(C)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000899122906 1040059141 /nfs/dbraw/zinc/05/91/41/1040059141.db2.gz AKKKDHHIYVQVJY-HSALFYBXSA-N 1 1 341.499 3.505 20 30 EHEDMO C=CCC[C@@H](NC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)c1ccccc1 ZINC000486512625 1040200715 /nfs/dbraw/zinc/20/07/15/1040200715.db2.gz ZTPLUMYRSUXDLB-RTBURBONSA-N 1 1 329.488 3.676 20 30 EHEDMO C=C(C)[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1ccc(F)c(F)c1 ZINC000555150565 1040216118 /nfs/dbraw/zinc/21/61/18/1040216118.db2.gz BUYZOHUWTINIMK-SUMWQHHRSA-N 1 1 339.430 3.610 20 30 EHEDMO Cc1ccc([C@@H]2C[C@H](C)[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)cc1 ZINC000490106994 1040344225 /nfs/dbraw/zinc/34/42/25/1040344225.db2.gz ZNXGKKXIPFZTND-NEOGFGCTSA-N 1 1 341.499 3.616 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(F)cc1C#N ZINC000481171563 1040423769 /nfs/dbraw/zinc/42/37/69/1040423769.db2.gz HQWDLKDPYVOROL-HRAATJIYSA-N 1 1 337.442 3.698 20 30 EHEDMO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000908383026 1040425147 /nfs/dbraw/zinc/42/51/47/1040425147.db2.gz NXMCZXXCZUPLEV-OALUTQOASA-N 1 1 327.472 3.660 20 30 EHEDMO C=C[C@H](CC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1)c1ccccc1 ZINC000553783964 1040448445 /nfs/dbraw/zinc/44/84/45/1040448445.db2.gz VOHWIZCUNNNJFS-AJYBTWMASA-N 1 1 326.484 3.535 20 30 EHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H](SCC)C1 ZINC000481237812 1040540767 /nfs/dbraw/zinc/54/07/67/1040540767.db2.gz YWXKOIOUJHPIDB-RTBURBONSA-N 1 1 349.540 3.762 20 30 EHEDMO COc1ccc(C#N)cc1CSCC[N@@H+](C)Cc1ccccc1 ZINC000433050272 1040560691 /nfs/dbraw/zinc/56/06/91/1040560691.db2.gz BCMNRBUEKIQURN-UHFFFAOYSA-N 1 1 326.465 3.932 20 30 EHEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@H](c1ccccc1Cl)C(C)C ZINC000500216432 1040731587 /nfs/dbraw/zinc/73/15/87/1040731587.db2.gz VUFMLOJZBKDENG-KXBFYZLASA-N 1 1 349.906 3.977 20 30 EHEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@H](c1ccccc1Cl)C(C)C ZINC000500216432 1040731606 /nfs/dbraw/zinc/73/16/06/1040731606.db2.gz VUFMLOJZBKDENG-KXBFYZLASA-N 1 1 349.906 3.977 20 30 EHEDMO CCOC(=O)c1[nH]c(C)c(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000600167235 1040751856 /nfs/dbraw/zinc/75/18/56/1040751856.db2.gz QKMMDMFLEOVFPD-HNNXBMFYSA-N 1 1 339.439 3.873 20 30 EHEDMO CC[C@H](C)[N@@H+](CCO)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000600167710 1040753789 /nfs/dbraw/zinc/75/37/89/1040753789.db2.gz BIBIYKSKKSMXAG-KRWDZBQOSA-N 1 1 338.451 3.730 20 30 EHEDMO C#CC[N@@H+](Cc1cnn(CC(F)(F)F)c1)[C@H]1CCc2ccccc21 ZINC000490851250 1040767128 /nfs/dbraw/zinc/76/71/28/1040767128.db2.gz GAYWLCRILRHHTB-KRWDZBQOSA-N 1 1 333.357 3.568 20 30 EHEDMO C#CC[N@H+](Cc1cnn(CC(F)(F)F)c1)[C@H]1CCc2ccccc21 ZINC000490851250 1040767141 /nfs/dbraw/zinc/76/71/41/1040767141.db2.gz GAYWLCRILRHHTB-KRWDZBQOSA-N 1 1 333.357 3.568 20 30 EHEDMO N#CCCn1cc(C[N@H+]2CCCC3(CC3)CC2)c(-c2ccncc2)n1 ZINC000600214534 1040854632 /nfs/dbraw/zinc/85/46/32/1040854632.db2.gz AJQJIQHKBQWWRH-UHFFFAOYSA-N 1 1 335.455 3.625 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000481580456 1041110387 /nfs/dbraw/zinc/11/03/87/1041110387.db2.gz KEKXYGQPWTYWLA-KSSFIOAISA-N 1 1 334.410 3.761 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H]2Cc2ccccc2)c1 ZINC000433278145 1041188427 /nfs/dbraw/zinc/18/84/27/1041188427.db2.gz FKMWHKFBFWNENT-FQEVSTJZSA-N 1 1 333.435 3.594 20 30 EHEDMO CN(Cc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1)CC(C)(C)C#N ZINC000433282792 1041233498 /nfs/dbraw/zinc/23/34/98/1041233498.db2.gz BPGKFKRNXGXHBR-UHFFFAOYSA-N 1 1 326.488 3.650 20 30 EHEDMO CN(Cc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1)CC(C)(C)C#N ZINC000433282792 1041233514 /nfs/dbraw/zinc/23/35/14/1041233514.db2.gz BPGKFKRNXGXHBR-UHFFFAOYSA-N 1 1 326.488 3.650 20 30 EHEDMO CC1CCC([N@@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@@H]2CCCO2)CC1 ZINC000156527710 1041265467 /nfs/dbraw/zinc/26/54/67/1041265467.db2.gz SATOPSAJOLIIQW-APHPEJJXSA-N 1 1 342.483 3.651 20 30 EHEDMO COC1(C(F)(F)F)CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000419343174 1041420986 /nfs/dbraw/zinc/42/09/86/1041420986.db2.gz CAZDXIVHDUYUOD-UHFFFAOYSA-N 1 1 331.765 3.735 20 30 EHEDMO C[NH+]1CCN(c2ccc(NCc3ccc(C#N)s3)cc2Cl)CC1 ZINC000124766325 1041734573 /nfs/dbraw/zinc/73/45/73/1041734573.db2.gz HWGSNIKAHCMGGJ-UHFFFAOYSA-N 1 1 346.887 3.637 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(OCc2cccnc2)cc1)[C@H](C)COC ZINC000661243916 1042024577 /nfs/dbraw/zinc/02/45/77/1042024577.db2.gz PNPWILHKANJKNU-QGZVFWFLSA-N 1 1 326.440 3.684 20 30 EHEDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000661438789 1042125654 /nfs/dbraw/zinc/12/56/54/1042125654.db2.gz WKJJCJIKZJEMFI-YOEHRIQHSA-N 1 1 325.374 3.540 20 30 EHEDMO C=CC[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)C(C)(C)C ZINC000661759925 1042312713 /nfs/dbraw/zinc/31/27/13/1042312713.db2.gz MSKHPSWMPUQMCE-UHFFFAOYSA-N 1 1 329.469 3.696 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661856702 1042368847 /nfs/dbraw/zinc/36/88/47/1042368847.db2.gz KFTYNKAZEZJANY-MRXNPFEDSA-N 1 1 347.528 3.853 20 30 EHEDMO C=CCC1(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCCC1 ZINC001126262685 1042788345 /nfs/dbraw/zinc/78/83/45/1042788345.db2.gz SKUKDSMKGWQUKH-GOSISDBHSA-N 1 1 326.484 3.856 20 30 EHEDMO C=CCC1(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCCC1 ZINC001126262685 1042788352 /nfs/dbraw/zinc/78/83/52/1042788352.db2.gz SKUKDSMKGWQUKH-GOSISDBHSA-N 1 1 326.484 3.856 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000585753741 1043024365 /nfs/dbraw/zinc/02/43/65/1043024365.db2.gz NEYHONUJKVYZFU-UHFFFAOYSA-N 1 1 341.405 3.857 20 30 EHEDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000618546579 1043146076 /nfs/dbraw/zinc/14/60/76/1043146076.db2.gz BQMZRAPYNCCFMO-OAQYLSRUSA-N 1 1 342.483 3.899 20 30 EHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc2ncccc2c1 ZINC000344126042 1043301517 /nfs/dbraw/zinc/30/15/17/1043301517.db2.gz XTMUBEOUKSVBFS-UHFFFAOYSA-N 1 1 331.419 3.755 20 30 EHEDMO CC(C)[N@H+]1CCc2nc(CN[C@H](C)c3ccc(C#N)cc3)sc2C1 ZINC000344136752 1043319941 /nfs/dbraw/zinc/31/99/41/1043319941.db2.gz UVTZGSUYLKXEBT-CQSZACIVSA-N 1 1 340.496 3.632 20 30 EHEDMO CC[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000344213254 1043437925 /nfs/dbraw/zinc/43/79/25/1043437925.db2.gz FOBMWCGTOJOLQN-KXBFYZLASA-N 1 1 331.435 3.583 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCOCC(F)(F)F ZINC000076153477 1125541412 /nfs/dbraw/zinc/54/14/12/1125541412.db2.gz JMPDGMXHPHYZIU-HZPDHXFCSA-N 1 1 326.362 3.727 20 30 EHEDMO C=CCN(C(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C(C)(C)C ZINC000622943614 1126833635 /nfs/dbraw/zinc/83/36/35/1126833635.db2.gz KCFKBWVGVBSMEK-IAGOWNOFSA-N 1 1 344.499 3.723 20 30 EHEDMO C=CCN(C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)(C)C ZINC000622943613 1126833927 /nfs/dbraw/zinc/83/39/27/1126833927.db2.gz KCFKBWVGVBSMEK-CALCHBBNSA-N 1 1 344.499 3.723 20 30 EHEDMO C=CCN(C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)(C)C ZINC000622943613 1126833929 /nfs/dbraw/zinc/83/39/29/1126833929.db2.gz KCFKBWVGVBSMEK-CALCHBBNSA-N 1 1 344.499 3.723 20 30 EHEDMO C=CC[C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000623514810 1126973112 /nfs/dbraw/zinc/97/31/12/1126973112.db2.gz BBYNZWAELBWVNP-AZUAARDMSA-N 1 1 341.499 3.506 20 30 EHEDMO C[C@@H](NCC#Cc1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185700132 1126987177 /nfs/dbraw/zinc/98/71/77/1126987177.db2.gz KOVHOQWBNSGUQF-SJLPKXTDSA-N 1 1 330.903 3.934 20 30 EHEDMO C=CC[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000623699053 1127029201 /nfs/dbraw/zinc/02/92/01/1127029201.db2.gz HDVHHZWXEXBRIZ-NLWGTHIKSA-N 1 1 341.499 3.647 20 30 EHEDMO C=C[C@H](CC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000179447540 1127064713 /nfs/dbraw/zinc/06/47/13/1127064713.db2.gz HWDGYXPQZHKCAB-RBUKOAKNSA-N 1 1 328.500 3.831 20 30 EHEDMO C=CCC[C@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)c1ccccc1 ZINC000179674284 1127079937 /nfs/dbraw/zinc/07/99/37/1127079937.db2.gz GSAHGSULLAWMRA-SFHVURJKSA-N 1 1 333.435 3.731 20 30 EHEDMO C=CCCC[C@H](C)NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000181415271 1127276241 /nfs/dbraw/zinc/27/62/41/1127276241.db2.gz BEZYUYNALGEKKQ-ICSRJNTNSA-N 1 1 343.515 3.895 20 30 EHEDMO CCOc1cccc(/C=N\[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1O ZINC000764887820 1127546604 /nfs/dbraw/zinc/54/66/04/1127546604.db2.gz HEOFHPYMTYBENT-QNWOROFLSA-N 1 1 338.451 3.730 20 30 EHEDMO COc1cccc([C@H]2[C@@H](NCc3ccccc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000338634365 1127941817 /nfs/dbraw/zinc/94/18/17/1127941817.db2.gz WTTJZLDAFPJFTR-VXKWHMMOSA-N 1 1 347.462 3.634 20 30 EHEDMO COc1cccc([C@H]2[C@@H](NCc3ccccc3C#N)CC[N@H+]2C2CC2)c1 ZINC000338634365 1127941820 /nfs/dbraw/zinc/94/18/20/1127941820.db2.gz WTTJZLDAFPJFTR-VXKWHMMOSA-N 1 1 347.462 3.634 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c1C ZINC000347579528 1128113715 /nfs/dbraw/zinc/11/37/15/1128113715.db2.gz IVTUEGAOEQJRJH-WBVHZDCISA-N 1 1 327.472 3.528 20 30 EHEDMO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000347616275 1128141134 /nfs/dbraw/zinc/14/11/34/1128141134.db2.gz LVUQTYYVEGAFTM-SWLSCSKDSA-N 1 1 333.844 3.540 20 30 EHEDMO C=CC(C)(C)CCNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624465492 1128368785 /nfs/dbraw/zinc/36/87/85/1128368785.db2.gz SMXUPPZSRVPGIW-IBGZPJMESA-N 1 1 343.515 3.752 20 30 EHEDMO N#Cc1ccccc1-c1ccc(C[NH2+][C@H](C(N)=O)c2ccccc2)cc1 ZINC000090997639 1128431998 /nfs/dbraw/zinc/43/19/98/1128431998.db2.gz WIYHHMFVOFIQBK-NRFANRHFSA-N 1 1 341.414 3.541 20 30 EHEDMO C[C@@H](CNc1nc(C(F)(F)F)ccc1C#N)[N@H+]1CCC[C@H](C)C1 ZINC000301279669 1128581676 /nfs/dbraw/zinc/58/16/76/1128581676.db2.gz JTKWBKMLSRSFGP-RYUDHWBXSA-N 1 1 326.366 3.504 20 30 EHEDMO N#Cc1cccc(N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)n1 ZINC000301274466 1128581706 /nfs/dbraw/zinc/58/17/06/1128581706.db2.gz LJJDRXRBMMHPLA-MRXNPFEDSA-N 1 1 344.821 3.822 20 30 EHEDMO N#Cc1cccc(N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)n1 ZINC000301274466 1128581708 /nfs/dbraw/zinc/58/17/08/1128581708.db2.gz LJJDRXRBMMHPLA-MRXNPFEDSA-N 1 1 344.821 3.822 20 30 EHEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1nc(C(F)(F)F)ccc1C#N ZINC000301302535 1128583452 /nfs/dbraw/zinc/58/34/52/1128583452.db2.gz RXQZOZPVWAVMQF-NEPJUHHUSA-N 1 1 326.366 3.504 20 30 EHEDMO CCC[N@H+]1CC[C@H](CNc2c(C#N)cnc3c(C)cc(F)cc32)C1 ZINC000301999560 1128614708 /nfs/dbraw/zinc/61/47/08/1128614708.db2.gz VKNAQKWPPOUIML-CQSZACIVSA-N 1 1 326.419 3.698 20 30 EHEDMO N#Cc1ccc(NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cn1 ZINC000301495413 1128593940 /nfs/dbraw/zinc/59/39/40/1128593940.db2.gz BKNLVHKIFRLUSS-QGZVFWFLSA-N 1 1 344.821 3.995 20 30 EHEDMO Cc1cc(C)c2ncc(C#N)c(N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c2c1 ZINC000301655735 1128600780 /nfs/dbraw/zinc/60/07/80/1128600780.db2.gz AUWSECSKLCTTSQ-LPHOPBHVSA-N 1 1 334.467 3.644 20 30 EHEDMO CC[C@@H]1CN(c2ccc(Cl)c(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000302149987 1128622487 /nfs/dbraw/zinc/62/24/87/1128622487.db2.gz JXUMYGHPIHFKBO-MRXNPFEDSA-N 1 1 340.858 3.707 20 30 EHEDMO C[C@@H]1C[C@@H](Nc2nc3ccccn3c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000302176241 1128624054 /nfs/dbraw/zinc/62/40/54/1128624054.db2.gz MZVALNMYEHKEGA-AEFFLSMTSA-N 1 1 345.450 3.671 20 30 EHEDMO C[C@@H](Nc1cc(C#N)ccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000302226730 1128627583 /nfs/dbraw/zinc/62/75/83/1128627583.db2.gz WHPDYUDKVUJSJP-UKRRQHHQSA-N 1 1 328.416 3.531 20 30 EHEDMO COc1ccc([C@@H]2C[C@H]([N@@H+](C)Cc3ccc(C#N)cc3)CCO2)cc1 ZINC001168651464 1128656896 /nfs/dbraw/zinc/65/68/96/1128656896.db2.gz FERWMKRUZZCDIZ-CTNGQTDRSA-N 1 1 336.435 3.919 20 30 EHEDMO C[C@H]1C[C@H](NCc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000404091538 1128676785 /nfs/dbraw/zinc/67/67/85/1128676785.db2.gz WTHJLBROQOYWLC-OXJNMPFZSA-N 1 1 337.442 3.840 20 30 EHEDMO C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CCN1Cc1ccccc1 ZINC000404091538 1128676786 /nfs/dbraw/zinc/67/67/86/1128676786.db2.gz WTHJLBROQOYWLC-OXJNMPFZSA-N 1 1 337.442 3.840 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000305748725 1128781427 /nfs/dbraw/zinc/78/14/27/1128781427.db2.gz XJGYHQPRAJIXNK-SJORKVTESA-N 1 1 342.464 3.716 20 30 EHEDMO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000175433771 1120373240 /nfs/dbraw/zinc/37/32/40/1120373240.db2.gz KSOJDXSTHRFENE-NJSLBKSFSA-N 1 1 347.890 3.572 20 30 EHEDMO N#CCSCCC[NH+]1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000186025020 1120440406 /nfs/dbraw/zinc/44/04/06/1120440406.db2.gz AEGPAXNWVMOZOA-UHFFFAOYSA-N 1 1 344.311 3.762 20 30 EHEDMO C=CCC[C@@H](C(=O)NC[C@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC000186155469 1120446385 /nfs/dbraw/zinc/44/63/85/1120446385.db2.gz UNINNHOOPGLYSZ-QZTJIDSGSA-N 1 1 326.440 3.749 20 30 EHEDMO C=CCn1c(SC[C@H]2CC[N@H+](C)C2)nnc1-c1ccc(Cl)cc1 ZINC000187666545 1120506965 /nfs/dbraw/zinc/50/69/65/1120506965.db2.gz RHRPZUXYQYUJAS-ZDUSSCGKSA-N 1 1 348.903 3.828 20 30 EHEDMO C/C(=C/c1ccccc1)C[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000494292383 1120528382 /nfs/dbraw/zinc/52/83/82/1120528382.db2.gz FPEPFZBSEFERKI-UVTDQMKNSA-N 1 1 325.437 3.594 20 30 EHEDMO C/C(=C/c1ccccc1)C[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000494292383 1120528384 /nfs/dbraw/zinc/52/83/84/1120528384.db2.gz FPEPFZBSEFERKI-UVTDQMKNSA-N 1 1 325.437 3.594 20 30 EHEDMO C=C[C@@](C)(CC)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000190431444 1120637972 /nfs/dbraw/zinc/63/79/72/1120637972.db2.gz CUEPHSPTQSIKFX-FVJLSDCUSA-N 1 1 344.499 3.514 20 30 EHEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000192167337 1120721118 /nfs/dbraw/zinc/72/11/18/1120721118.db2.gz LWJGPEPYPAQRGA-FQEVSTJZSA-N 1 1 342.446 3.703 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCc3oc(C)nc32)c1 ZINC000925416914 1120938513 /nfs/dbraw/zinc/93/85/13/1120938513.db2.gz XZQXNXTVGUBLLN-WBVHZDCISA-N 1 1 325.412 3.831 20 30 EHEDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](CCC(C)(C)C#N)C[C@H]21 ZINC000495151760 1120971711 /nfs/dbraw/zinc/97/17/11/1120971711.db2.gz BOSJGLUXOSMLSX-ARFHVFGLSA-N 1 1 335.492 3.551 20 30 EHEDMO CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@H](C)Cc1ccsc1 ZINC000495228502 1120993187 /nfs/dbraw/zinc/99/31/87/1120993187.db2.gz KWYFZDGSVYXWCM-MRXNPFEDSA-N 1 1 347.528 3.686 20 30 EHEDMO N#Cc1cc2c(nc1N[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCCC2 ZINC000310748476 1128958918 /nfs/dbraw/zinc/95/89/18/1128958918.db2.gz HPIAPLJLSDWVLB-LJQANCHMSA-N 1 1 332.451 3.518 20 30 EHEDMO CCCC[C@@H](CC)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)C#N)CC2 ZINC001272610283 1121228944 /nfs/dbraw/zinc/22/89/44/1121228944.db2.gz DEGTVBYPWUNNKY-ZWKOTPCHSA-N 1 1 333.520 3.677 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](CC)Cc1ccoc1 ZINC000153552223 1121313772 /nfs/dbraw/zinc/31/37/72/1121313772.db2.gz HMWUQLPOTOTEDY-HNNXBMFYSA-N 1 1 332.469 3.766 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](CC)Cc1ccoc1 ZINC000153552223 1121313779 /nfs/dbraw/zinc/31/37/79/1121313779.db2.gz HMWUQLPOTOTEDY-HNNXBMFYSA-N 1 1 332.469 3.766 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(F)cc2C)c(C#N)c1C ZINC000487966940 1121394974 /nfs/dbraw/zinc/39/49/74/1121394974.db2.gz ZHZJGFIHCVWZAH-ZDUSSCGKSA-N 1 1 343.402 3.675 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(F)cc2C)c(C#N)c1C ZINC000487966940 1121394982 /nfs/dbraw/zinc/39/49/82/1121394982.db2.gz ZHZJGFIHCVWZAH-ZDUSSCGKSA-N 1 1 343.402 3.675 20 30 EHEDMO Cc1nc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)ccc1C#N ZINC000311123074 1128983071 /nfs/dbraw/zinc/98/30/71/1128983071.db2.gz UUEBDBWIIFKOBY-HSALFYBXSA-N 1 1 332.451 3.584 20 30 EHEDMO N#Cc1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1F ZINC000153254541 1121522992 /nfs/dbraw/zinc/52/29/92/1121522992.db2.gz KWEPPHJGYGUGOB-UHFFFAOYSA-N 1 1 325.343 3.770 20 30 EHEDMO N#Cc1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1F ZINC000153254541 1121522996 /nfs/dbraw/zinc/52/29/96/1121522996.db2.gz KWEPPHJGYGUGOB-UHFFFAOYSA-N 1 1 325.343 3.770 20 30 EHEDMO C[C@H](c1cccs1)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000032490146 1121534157 /nfs/dbraw/zinc/53/41/57/1121534157.db2.gz DSQUVIAZDOTMFA-OAHLLOKOSA-N 1 1 327.453 3.688 20 30 EHEDMO C[C@H](c1cccs1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000032490146 1121534160 /nfs/dbraw/zinc/53/41/60/1121534160.db2.gz DSQUVIAZDOTMFA-OAHLLOKOSA-N 1 1 327.453 3.688 20 30 EHEDMO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000032489956 1121534464 /nfs/dbraw/zinc/53/44/64/1121534464.db2.gz DIJDCIPSXCIRGY-INIZCTEOSA-N 1 1 339.414 3.765 20 30 EHEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000032489956 1121534468 /nfs/dbraw/zinc/53/44/68/1121534468.db2.gz DIJDCIPSXCIRGY-INIZCTEOSA-N 1 1 339.414 3.765 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCC[C@@H]1C ZINC000487985704 1121538512 /nfs/dbraw/zinc/53/85/12/1121538512.db2.gz FYMVEVFVZBFVSC-XJKSGUPXSA-N 1 1 338.398 3.797 20 30 EHEDMO Cc1oc(NC(=O)C[N@H+](C)CCc2ccc(Cl)cc2)c(C#N)c1C ZINC000113266248 1128993727 /nfs/dbraw/zinc/99/37/27/1128993727.db2.gz JHBKYKINBZYZFE-UHFFFAOYSA-N 1 1 345.830 3.535 20 30 EHEDMO Cc1oc(NC(=O)C[N@@H+](C)CCc2ccc(Cl)cc2)c(C#N)c1C ZINC000113266248 1128993729 /nfs/dbraw/zinc/99/37/29/1128993729.db2.gz JHBKYKINBZYZFE-UHFFFAOYSA-N 1 1 345.830 3.535 20 30 EHEDMO C=CCn1c2ccccc2n(CN2CC[N@H+](C)C[C@@H]2C(C)C)c1=S ZINC000153663545 1121562935 /nfs/dbraw/zinc/56/29/35/1121562935.db2.gz ADTFDCNDKUVFRF-GOSISDBHSA-N 1 1 344.528 3.588 20 30 EHEDMO C[C@H](NC(=O)Nc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272384827 1121602733 /nfs/dbraw/zinc/60/27/33/1121602733.db2.gz IKALGYODYKMKJO-LPHOPBHVSA-N 1 1 348.450 3.590 20 30 EHEDMO CCCOc1ccc(C[NH2+]Cc2ccc(C#N)cn2)c(OCCC)c1 ZINC000780555186 1121651330 /nfs/dbraw/zinc/65/13/30/1121651330.db2.gz PEFVKABCQATKPF-UHFFFAOYSA-N 1 1 339.439 3.821 20 30 EHEDMO Cc1c(C#N)cccc1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193851854 1121721765 /nfs/dbraw/zinc/72/17/65/1121721765.db2.gz FEVJJTXGDIDONC-GOSISDBHSA-N 1 1 348.450 3.510 20 30 EHEDMO Cc1ccsc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000122827543 1121971929 /nfs/dbraw/zinc/97/19/29/1121971929.db2.gz NMERROWUQDXXFW-UHFFFAOYSA-N 1 1 325.481 3.636 20 30 EHEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(C)n1 ZINC000488067694 1122006598 /nfs/dbraw/zinc/00/65/98/1122006598.db2.gz QQISNMLCFCBBLB-IBGZPJMESA-N 1 1 334.467 3.610 20 30 EHEDMO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)Cc2ccccc21 ZINC000916151540 1122081231 /nfs/dbraw/zinc/08/12/31/1122081231.db2.gz JIVKKABFPSNYAX-QGZVFWFLSA-N 1 1 333.435 3.553 20 30 EHEDMO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)Cc2ccccc21 ZINC000916151540 1122081239 /nfs/dbraw/zinc/08/12/39/1122081239.db2.gz JIVKKABFPSNYAX-QGZVFWFLSA-N 1 1 333.435 3.553 20 30 EHEDMO CC(=[NH+]Nc1ccc(C)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000916250265 1122110787 /nfs/dbraw/zinc/11/07/87/1122110787.db2.gz RWGOCDMCWJJRRN-UHFFFAOYSA-N 1 1 327.403 3.807 20 30 EHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)C12CCCCC2 ZINC000763411728 1122232995 /nfs/dbraw/zinc/23/29/95/1122232995.db2.gz UWOQTZMCMRJLBF-XUVXKRRUSA-N 1 1 342.483 3.651 20 30 EHEDMO C=CCn1c(SCC[C@H]2CCC[N@@H+]2C)nnc1-c1ccccc1F ZINC000124711915 1122293054 /nfs/dbraw/zinc/29/30/54/1122293054.db2.gz MPFBUJXSMMHCNG-CQSZACIVSA-N 1 1 346.475 3.847 20 30 EHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497179778 1122362314 /nfs/dbraw/zinc/36/23/14/1122362314.db2.gz BMGDDYQQHWJNFK-BRWVUGGUSA-N 1 1 335.492 3.648 20 30 EHEDMO C=CC[N@H+](CCC(=O)Nc1ccc(Br)cc1F)C(C)C ZINC000917069853 1122475544 /nfs/dbraw/zinc/47/55/44/1122475544.db2.gz XXOFMSAMLXOZOH-UHFFFAOYSA-N 1 1 343.240 3.813 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1cc(C)ccc1C ZINC000497605817 1122607246 /nfs/dbraw/zinc/60/72/46/1122607246.db2.gz RRGWCDKIOJMGKJ-HXUWFJFHSA-N 1 1 325.452 3.731 20 30 EHEDMO CC[N@H+](CC(=O)N1c2ccccc2C[C@H]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497618769 1122610969 /nfs/dbraw/zinc/61/09/69/1122610969.db2.gz HJDDFSSHNJAFKA-SJORKVTESA-N 1 1 347.462 3.919 20 30 EHEDMO CC[N@@H+](CC(=O)N1c2ccccc2C[C@H]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497618769 1122610970 /nfs/dbraw/zinc/61/09/70/1122610970.db2.gz HJDDFSSHNJAFKA-SJORKVTESA-N 1 1 347.462 3.919 20 30 EHEDMO COc1cccc(C2([NH2+]Cc3csc(C#N)c3)CCOCC2)c1F ZINC000922070282 1129074735 /nfs/dbraw/zinc/07/47/35/1129074735.db2.gz ZNBWXOCVZRGJRG-UHFFFAOYSA-N 1 1 346.427 3.563 20 30 EHEDMO CCOc1cc(C[NH2+]Cc2ccc(C#N)cn2)ccc1OCC(C)C ZINC000780556121 1122793263 /nfs/dbraw/zinc/79/32/63/1122793263.db2.gz MQGRXOOHYXMHCS-UHFFFAOYSA-N 1 1 339.439 3.677 20 30 EHEDMO CC(C)[N@@H+](CCOc1ccccc1C#N)Cc1ccc(N(C)C)cc1 ZINC000918770124 1122913416 /nfs/dbraw/zinc/91/34/16/1122913416.db2.gz CDNYNEULEUCDOO-UHFFFAOYSA-N 1 1 337.467 3.914 20 30 EHEDMO C[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000556598250 1123051470 /nfs/dbraw/zinc/05/14/70/1123051470.db2.gz JXNPXEKYSRYHIP-NRFANRHFSA-N 1 1 330.435 3.803 20 30 EHEDMO Cc1sc(NC(=O)C[N@@H+]2CCSC3(CCC3)CC2)c(C#N)c1C ZINC000556816793 1123133714 /nfs/dbraw/zinc/13/37/14/1123133714.db2.gz OLHOFTQNXBTIFB-UHFFFAOYSA-N 1 1 349.525 3.537 20 30 EHEDMO Cc1sc(NC(=O)C[N@H+]2CCSC3(CCC3)CC2)c(C#N)c1C ZINC000556816793 1123133717 /nfs/dbraw/zinc/13/37/17/1123133717.db2.gz OLHOFTQNXBTIFB-UHFFFAOYSA-N 1 1 349.525 3.537 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C(C)C)C2CCC2)c1C ZINC000072685690 1123142333 /nfs/dbraw/zinc/14/23/33/1123142333.db2.gz IRBBLBUZONZCPN-UHFFFAOYSA-N 1 1 327.472 3.813 20 30 EHEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000556975440 1123249596 /nfs/dbraw/zinc/24/95/96/1123249596.db2.gz ROSXBAAESJJCBQ-HNNXBMFYSA-N 1 1 341.405 3.715 20 30 EHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000134063635 1123487649 /nfs/dbraw/zinc/48/76/49/1123487649.db2.gz UXOFRYQMXPPOCW-CVEARBPZSA-N 1 1 337.508 3.942 20 30 EHEDMO CCCC[N@@H+](C)CCNC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000077704701 1123575859 /nfs/dbraw/zinc/57/58/59/1123575859.db2.gz XAZQIZRFVKJNIQ-HNNXBMFYSA-N 1 1 348.516 3.792 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ccnc4ccccc43)CC2)cc1 ZINC000609495308 1123592244 /nfs/dbraw/zinc/59/22/44/1123592244.db2.gz RFKDKLNWDAWZGD-UHFFFAOYSA-N 1 1 342.446 3.819 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCCN(c3ccnc4ccccc43)CC2)cc1 ZINC000609495308 1123592249 /nfs/dbraw/zinc/59/22/49/1123592249.db2.gz RFKDKLNWDAWZGD-UHFFFAOYSA-N 1 1 342.446 3.819 20 30 EHEDMO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c1=S ZINC000175261838 1123642892 /nfs/dbraw/zinc/64/28/92/1123642892.db2.gz VQXUEEIJZRMOBD-WMLDXEAASA-N 1 1 328.485 3.744 20 30 EHEDMO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c1=S ZINC000175261838 1123642895 /nfs/dbraw/zinc/64/28/95/1123642895.db2.gz VQXUEEIJZRMOBD-WMLDXEAASA-N 1 1 328.485 3.744 20 30 EHEDMO C[C@@H](C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000609739384 1123657756 /nfs/dbraw/zinc/65/77/56/1123657756.db2.gz CBPNEGQZABLWGH-IBGZPJMESA-N 1 1 333.479 3.870 20 30 EHEDMO COCC[N@@H+](CCCSCC#N)Cc1ccc(F)cc1Cl ZINC000080631733 1123759671 /nfs/dbraw/zinc/75/96/71/1123759671.db2.gz GBMKPJLWDUVFEQ-UHFFFAOYSA-N 1 1 330.856 3.574 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC000195725086 1123814424 /nfs/dbraw/zinc/81/44/24/1123814424.db2.gz QDXFUQLRHMETBM-FQEVSTJZSA-N 1 1 331.419 3.649 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]CCCN(C)Cc2ccccc2)cc1 ZINC000237695516 1123819629 /nfs/dbraw/zinc/81/96/29/1123819629.db2.gz BZCXWVQCLBUUOR-SFHVURJKSA-N 1 1 337.467 3.589 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(CNCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000237695516 1123819635 /nfs/dbraw/zinc/81/96/35/1123819635.db2.gz BZCXWVQCLBUUOR-SFHVURJKSA-N 1 1 337.467 3.589 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(CNCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000237695516 1123819639 /nfs/dbraw/zinc/81/96/39/1123819639.db2.gz BZCXWVQCLBUUOR-SFHVURJKSA-N 1 1 337.467 3.589 20 30 EHEDMO N#Cc1cc(F)ccc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179733274 1123839345 /nfs/dbraw/zinc/83/93/45/1123839345.db2.gz XDCGZHQLXDNASW-FQEVSTJZSA-N 1 1 338.382 3.709 20 30 EHEDMO C[C@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)[C@@H]1c1ccccc1 ZINC000081574351 1123848997 /nfs/dbraw/zinc/84/89/97/1123848997.db2.gz RXWLRLDXDQGPAG-UWJYYQICSA-N 1 1 333.435 3.626 20 30 EHEDMO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@@H]1c1ccccc1 ZINC000081574351 1123849007 /nfs/dbraw/zinc/84/90/07/1123849007.db2.gz RXWLRLDXDQGPAG-UWJYYQICSA-N 1 1 333.435 3.626 20 30 EHEDMO N#CCCC[C@H]([NH2+]Cc1nc(Br)c[nH]1)c1ccccc1 ZINC000922144057 1129151663 /nfs/dbraw/zinc/15/16/63/1129151663.db2.gz AKUYFJBWIUOLMA-ZDUSSCGKSA-N 1 1 333.233 3.697 20 30 EHEDMO COc1ccc(C[NH2+]Cc2cc(C(C)C)no2)cc1OCCCC#N ZINC000114509772 1129153888 /nfs/dbraw/zinc/15/38/88/1129153888.db2.gz HMHOFVIIONGZPV-UHFFFAOYSA-N 1 1 343.427 3.779 20 30 EHEDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000069147196 1124481707 /nfs/dbraw/zinc/48/17/07/1124481707.db2.gz HAQQTPYSXOQWQO-QGZVFWFLSA-N 1 1 347.462 3.687 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(C)c(Br)c2)no1 ZINC001212325129 1124664944 /nfs/dbraw/zinc/66/49/44/1124664944.db2.gz JLQWZUJRBMKRPC-ZDUSSCGKSA-N 1 1 334.217 3.611 20 30 EHEDMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(N2CCOC2=O)cc1 ZINC000181291147 1124728808 /nfs/dbraw/zinc/72/88/08/1124728808.db2.gz QWNKSHIEPCZYMO-ZDUSSCGKSA-N 1 1 339.370 3.505 20 30 EHEDMO CCOCCC[N@H+]1CCC(N=Nc2ccc3ccccc3n2)[C@H](C)C1 ZINC000735223491 1131318084 /nfs/dbraw/zinc/31/80/84/1131318084.db2.gz BXYZZWAPFIMFIF-MRXNPFEDSA-N 1 1 340.471 3.771 20 30 EHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(F)cc2OCC#N)C1 ZINC000181545777 1124928725 /nfs/dbraw/zinc/92/87/25/1124928725.db2.gz BEFKFZONOGVDFX-YJBOKZPZSA-N 1 1 339.414 3.975 20 30 EHEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000198393196 1125441422 /nfs/dbraw/zinc/44/14/22/1125441422.db2.gz PTZVZTBNWCRKHI-CQSZACIVSA-N 1 1 325.387 3.719 20 30 EHEDMO Cc1ccc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)s1 ZINC000114733871 1129187902 /nfs/dbraw/zinc/18/79/02/1129187902.db2.gz HSYJOXUTKQFODM-FUHWJXTLSA-N 1 1 342.464 3.505 20 30 EHEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCOCC(F)(F)C(F)F ZINC000682533012 1129219883 /nfs/dbraw/zinc/21/98/83/1129219883.db2.gz NSKNYOIVALFTFA-RKDXNWHRSA-N 1 1 325.268 3.566 20 30 EHEDMO C[C@H]1C[C@H](NC(=O)Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000079775922 1129295106 /nfs/dbraw/zinc/29/51/06/1129295106.db2.gz GFRQMBWOVNZQMR-OXJNMPFZSA-N 1 1 348.450 3.733 20 30 EHEDMO CC#CCCCC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466278218 1129357065 /nfs/dbraw/zinc/35/70/65/1129357065.db2.gz XILMLBNBKGIPLA-AZUAARDMSA-N 1 1 326.484 3.597 20 30 EHEDMO C[C@@H](CCN(C)C)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000068353050 1129363699 /nfs/dbraw/zinc/36/36/99/1129363699.db2.gz KXCQRCXCDCBMDY-KRWDZBQOSA-N 1 1 337.467 3.567 20 30 EHEDMO CC(C)N(CCC#N)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000543282639 1129387445 /nfs/dbraw/zinc/38/74/45/1129387445.db2.gz RFMOQXSGRDAZFI-QGZVFWFLSA-N 1 1 342.487 3.644 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000735670917 1131371796 /nfs/dbraw/zinc/37/17/96/1131371796.db2.gz ZLLKULDDQDQVPT-XHSDSOJGSA-N 1 1 343.471 3.949 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000735670917 1131371801 /nfs/dbraw/zinc/37/18/01/1131371801.db2.gz ZLLKULDDQDQVPT-XHSDSOJGSA-N 1 1 343.471 3.949 20 30 EHEDMO COc1cccc([C@H](C)[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000081647356 1129435686 /nfs/dbraw/zinc/43/56/86/1129435686.db2.gz AOHBHKAQZSZPCC-SFHVURJKSA-N 1 1 349.478 3.836 20 30 EHEDMO COc1cccc([C@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000081647356 1129435688 /nfs/dbraw/zinc/43/56/88/1129435688.db2.gz AOHBHKAQZSZPCC-SFHVURJKSA-N 1 1 349.478 3.836 20 30 EHEDMO COc1cccc([C@H](C)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000081647356 1129435690 /nfs/dbraw/zinc/43/56/90/1129435690.db2.gz AOHBHKAQZSZPCC-SFHVURJKSA-N 1 1 349.478 3.836 20 30 EHEDMO CCC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000466475160 1129480698 /nfs/dbraw/zinc/48/06/98/1129480698.db2.gz RZGXERBLNQFEMT-KBPBESRZSA-N 1 1 345.512 3.948 20 30 EHEDMO CCC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000466475160 1129480701 /nfs/dbraw/zinc/48/07/01/1129480701.db2.gz RZGXERBLNQFEMT-KBPBESRZSA-N 1 1 345.512 3.948 20 30 EHEDMO COc1cc(C[NH2+][C@H](c2ccccc2)c2ccncc2)ccc1C#N ZINC000327757700 1129533948 /nfs/dbraw/zinc/53/39/48/1129533948.db2.gz HVEQIUQJWHFDGF-OAQYLSRUSA-N 1 1 329.403 3.841 20 30 EHEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000093594545 1129595477 /nfs/dbraw/zinc/59/54/77/1129595477.db2.gz HJAFKCRYZBEZAP-OAHLLOKOSA-N 1 1 328.412 3.854 20 30 EHEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000093594545 1129595481 /nfs/dbraw/zinc/59/54/81/1129595481.db2.gz HJAFKCRYZBEZAP-OAHLLOKOSA-N 1 1 328.412 3.854 20 30 EHEDMO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C#N)cc1 ZINC000390743512 1129631594 /nfs/dbraw/zinc/63/15/94/1129631594.db2.gz SREKEAQEMNLDBV-NRFANRHFSA-N 1 1 333.479 3.949 20 30 EHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C#N)cc1 ZINC000390743512 1129631597 /nfs/dbraw/zinc/63/15/97/1129631597.db2.gz SREKEAQEMNLDBV-NRFANRHFSA-N 1 1 333.479 3.949 20 30 EHEDMO N#Cc1c(F)cccc1CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000428976589 1129657775 /nfs/dbraw/zinc/65/77/75/1129657775.db2.gz KNJXKWFFFNJARY-JOCHJYFZSA-N 1 1 349.453 3.795 20 30 EHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc2nsnc21 ZINC000766028107 1129837253 /nfs/dbraw/zinc/83/72/53/1129837253.db2.gz TVPAYZSHQWUVSO-UHFFFAOYSA-N 1 1 340.408 3.788 20 30 EHEDMO CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(OC)cc1 ZINC000075640608 1129838604 /nfs/dbraw/zinc/83/86/04/1129838604.db2.gz VEBWXFGNZWFFLC-UHFFFAOYSA-N 1 1 348.406 3.639 20 30 EHEDMO CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(OC)cc1 ZINC000075640608 1129838612 /nfs/dbraw/zinc/83/86/12/1129838612.db2.gz VEBWXFGNZWFFLC-UHFFFAOYSA-N 1 1 348.406 3.639 20 30 EHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000674276306 1130055287 /nfs/dbraw/zinc/05/52/87/1130055287.db2.gz OWDGLRFYVAFQHN-NVXWUHKLSA-N 1 1 343.492 3.836 20 30 EHEDMO COc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccncc2)cc1C#N ZINC000172688887 1130153150 /nfs/dbraw/zinc/15/31/50/1130153150.db2.gz OYTJCZFODAJDMG-NRFANRHFSA-N 1 1 329.403 3.841 20 30 EHEDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000174528330 1130368233 /nfs/dbraw/zinc/36/82/33/1130368233.db2.gz MBGZOTXGLTVGTD-HNNXBMFYSA-N 1 1 334.851 3.550 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000246634525 1130396410 /nfs/dbraw/zinc/39/64/10/1130396410.db2.gz ZPOJTEWUNBSSBB-FCEWJHQRSA-N 1 1 333.435 3.763 20 30 EHEDMO C[N@@H+](CCOc1ccccc1Cl)Cc1ccc(OCC#N)cc1 ZINC000731210580 1130776939 /nfs/dbraw/zinc/77/69/39/1130776939.db2.gz SMKSKOGOSOORSQ-UHFFFAOYSA-N 1 1 330.815 3.753 20 30 EHEDMO C[N@@H+](CCc1ccccc1F)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000731661197 1130825631 /nfs/dbraw/zinc/82/56/31/1130825631.db2.gz HENGWJPNOUHBPB-UHFFFAOYSA-N 1 1 334.398 3.693 20 30 EHEDMO Oc1cccc(/C=N\C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1O ZINC000731938247 1130867629 /nfs/dbraw/zinc/86/76/29/1130867629.db2.gz SJSHQENSKYWKSB-AGXWISISSA-N 1 1 336.435 3.712 20 30 EHEDMO C#CCCOc1ccc(CNCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000733324547 1131025469 /nfs/dbraw/zinc/02/54/69/1131025469.db2.gz JIBPQKJIVNXUMX-OALUTQOASA-N 1 1 328.500 3.546 20 30 EHEDMO C=C(Cl)CNC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000736398304 1131419327 /nfs/dbraw/zinc/41/93/27/1131419327.db2.gz ZUZMFOUCAKTQBE-GASCZTMLSA-N 1 1 349.906 3.716 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)C[C@H](C)c1ccccc1 ZINC000739855269 1131512085 /nfs/dbraw/zinc/51/20/85/1131512085.db2.gz YGUPMHZVTMICPJ-INIZCTEOSA-N 1 1 345.450 3.818 20 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ZINC000740887794 1131554576 /nfs/dbraw/zinc/55/45/76/1131554576.db2.gz CRCDLXTXRMLOPA-LJQANCHMSA-N 1 1 349.478 3.685 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000740887794 1131554579 /nfs/dbraw/zinc/55/45/79/1131554579.db2.gz CRCDLXTXRMLOPA-LJQANCHMSA-N 1 1 349.478 3.685 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000740887794 1131554581 /nfs/dbraw/zinc/55/45/81/1131554581.db2.gz CRCDLXTXRMLOPA-LJQANCHMSA-N 1 1 349.478 3.685 20 30 EHEDMO CC[C@H]1[N@H+]([C@@H](C)CCCC#N)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001172495602 1131758454 /nfs/dbraw/zinc/75/84/54/1131758454.db2.gz SAABHOMRQSUNGF-HQRMLTQVSA-N 1 1 331.504 3.714 20 30 EHEDMO Cc1ccc(N2C[C@@]3(CC[N@H+]([C@@H](C)CCCC#N)C3)CC2=O)s1 ZINC001172498008 1131759692 /nfs/dbraw/zinc/75/96/92/1131759692.db2.gz IDIYKXTWWQHDTN-KSSFIOAISA-N 1 1 331.485 3.568 20 30 EHEDMO Cc1ccc(N2C[C@@]3(CC[N@H+]([C@H](C)CCCC#N)C3)CC2=O)cc1 ZINC001172499392 1131760305 /nfs/dbraw/zinc/76/03/05/1131760305.db2.gz RSRUOEKGFMKWEV-XLIONFOSSA-N 1 1 325.456 3.506 20 30 EHEDMO C[C@H](CCCC#N)[N@H+]1C[C@@H]2CCC[C@H](N(C)Cc3ccccn3)[C@H]2C1 ZINC001172507046 1131764011 /nfs/dbraw/zinc/76/40/11/1131764011.db2.gz OCPMPZHPFNVUNK-ZFMNYDKASA-N 1 1 340.515 3.696 20 30 EHEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](C1CC(C)(C)OC(C)(C)C1)C2 ZINC001172657639 1131802442 /nfs/dbraw/zinc/80/24/42/1131802442.db2.gz RNBWXYNIVIOEBA-XLIONFOSSA-N 1 1 337.504 3.549 20 30 EHEDMO COC(=O)[C@H]1CCC[C@H]([N@H+](CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001172621512 1131807622 /nfs/dbraw/zinc/80/76/22/1131807622.db2.gz BADSDNXSCODAST-RDJZCZTQSA-N 1 1 334.847 3.787 20 30 EHEDMO COC(=O)[C@H]1CCC[C@H]([N@@H+](CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001172621512 1131807632 /nfs/dbraw/zinc/80/76/32/1131807632.db2.gz BADSDNXSCODAST-RDJZCZTQSA-N 1 1 334.847 3.787 20 30 EHEDMO C=CCn1c2ccccc2n(CN2CC[C@H](C[N@H+](C)CC)C2)c1=S ZINC000743399043 1131912195 /nfs/dbraw/zinc/91/21/95/1131912195.db2.gz JNJKPWJYMOSQFY-MRXNPFEDSA-N 1 1 344.528 3.589 20 30 EHEDMO 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C[N@@H+](Cc1ccc(C#N)cc1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000747533643 1135758307 /nfs/dbraw/zinc/75/83/07/1135758307.db2.gz PVCBBBKHBLZMGO-UHFFFAOYSA-N 1 1 331.460 3.541 20 30 EHEDMO C=CCC[C@@H]1CCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC001198414518 1135812099 /nfs/dbraw/zinc/81/20/99/1135812099.db2.gz VDPOKDCFAQTXDC-IAGOWNOFSA-N 1 1 346.434 3.654 20 30 EHEDMO CCCCCC[N@H+](Cc1ccco1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC001198516817 1135830022 /nfs/dbraw/zinc/83/00/22/1135830022.db2.gz DFURNGPXNWZTHN-MRXNPFEDSA-N 1 1 331.460 3.613 20 30 EHEDMO CCCCCC[N@@H+](Cc1ccco1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC001198516817 1135830027 /nfs/dbraw/zinc/83/00/27/1135830027.db2.gz DFURNGPXNWZTHN-MRXNPFEDSA-N 1 1 331.460 3.613 20 30 EHEDMO C#CCOc1ccccc1-c1noc([C@H](c2ccccc2)[N@@H+](C)CC)n1 ZINC000809396580 1135835400 /nfs/dbraw/zinc/83/54/00/1135835400.db2.gz ADAMHEUZRXJMGC-IBGZPJMESA-N 1 1 347.418 3.790 20 30 EHEDMO C#CCOc1ccccc1-c1noc([C@H](c2ccccc2)[N@H+](C)CC)n1 ZINC000809396580 1135835405 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20 30 EHEDMO N#Cc1csc(C[NH2+]C[C@H](O)c2ccc(-c3ccccc3)cc2)n1 ZINC000810152832 1135932248 /nfs/dbraw/zinc/93/22/48/1135932248.db2.gz CWTHXMGHLDYMOT-SFHVURJKSA-N 1 1 335.432 3.505 20 30 EHEDMO C#Cc1ccccc1CC(=O)O[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000810662528 1135995446 /nfs/dbraw/zinc/99/54/46/1135995446.db2.gz DSZHCICZZWZGDM-AVRDEDQJSA-N 1 1 347.458 3.664 20 30 EHEDMO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1C[C@@H](C)CCC=C(C)C ZINC001201485547 1136026689 /nfs/dbraw/zinc/02/66/89/1136026689.db2.gz IWENKNRRHKXJPG-PKOBYXMFSA-N 1 1 346.519 3.782 20 30 EHEDMO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1C[C@@H](C)CCC=C(C)C ZINC001201485547 1136026693 /nfs/dbraw/zinc/02/66/93/1136026693.db2.gz IWENKNRRHKXJPG-PKOBYXMFSA-N 1 1 346.519 3.782 20 30 EHEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](CCCc1ccccc1)CCO2 ZINC001201661500 1136053138 /nfs/dbraw/zinc/05/31/38/1136053138.db2.gz AIMZRNHFWXIXRH-LEWJYISDSA-N 1 1 329.484 3.693 20 30 EHEDMO CCCCCCC[N@@H+]1Cc2c(cnn2C)[C@@H](COc2cccnc2)C1 ZINC001201762423 1136060671 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EHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2cn(C)nc2C(F)F)cc1 ZINC000812242990 1136188543 /nfs/dbraw/zinc/18/85/43/1136188543.db2.gz AGEZVDIEBTZTQM-YVMONPNESA-N 1 1 342.349 3.748 20 30 EHEDMO Cc1[nH+]cn(-c2ccc(NC(=O)Cc3ccccc3CC#N)cc2)c1C ZINC000812742033 1136240940 /nfs/dbraw/zinc/24/09/40/1136240940.db2.gz YWJKGKRLKQGDSA-UHFFFAOYSA-N 1 1 344.418 3.736 20 30 EHEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000812780600 1136246438 /nfs/dbraw/zinc/24/64/38/1136246438.db2.gz KBJYULCDRFWJNI-HSZRJFAPSA-N 1 1 349.474 3.516 20 30 EHEDMO C[C@@H](N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(OCC#N)cc1 ZINC000850538611 1136282065 /nfs/dbraw/zinc/28/20/65/1136282065.db2.gz ISHZCASJRZBFCK-SJLPKXTDSA-N 1 1 327.472 3.647 20 30 EHEDMO C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1)c1ccc(OCC#N)cc1 ZINC000850538611 1136282067 /nfs/dbraw/zinc/28/20/67/1136282067.db2.gz ISHZCASJRZBFCK-SJLPKXTDSA-N 1 1 327.472 3.647 20 30 EHEDMO N#CC1(CC(=O)OC[C@@H]2CCC[N@H+]2Cc2ccco2)CCCCC1 ZINC000850908825 1136317692 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ZZBOQQMIYVPYFQ-VIFPVBQESA-N 1 1 327.228 3.610 20 30 EHEDMO CC(=NNc1cncc(Br)c1)c1ccc(C[NH+](C)C)cc1 ZINC000814887877 1136520968 /nfs/dbraw/zinc/52/09/68/1136520968.db2.gz ZJNMAFFOCITVDG-UHFFFAOYSA-N 1 1 347.260 3.742 20 30 EHEDMO N#Cc1ccc(COC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c(F)c1 ZINC000815444891 1136595936 /nfs/dbraw/zinc/59/59/36/1136595936.db2.gz MNVLHLAVCYMNOJ-GOSISDBHSA-N 1 1 330.403 3.538 20 30 EHEDMO Cc1ccn(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c(=O)c1C#N ZINC000776774735 1136661409 /nfs/dbraw/zinc/66/14/09/1136661409.db2.gz MTSIJUKJWGDNJU-TYPHKJRUSA-N 1 1 347.462 3.644 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(C(F)(F)F)nc1Cl ZINC000856778297 1136810519 /nfs/dbraw/zinc/81/05/19/1136810519.db2.gz KJNLRNSZXOSBOW-SECBINFHSA-N 1 1 340.736 3.871 20 30 EHEDMO CN(Cc1cccc(C#N)c1)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000856884765 1136820899 /nfs/dbraw/zinc/82/08/99/1136820899.db2.gz JLIRFMWWBKTOHA-NRFANRHFSA-N 1 1 347.462 3.640 20 30 EHEDMO C=C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)c1ccccc1 ZINC001136014842 1136840088 /nfs/dbraw/zinc/84/00/88/1136840088.db2.gz LXDWCTRUNYNNHD-QFIPXVFZSA-N 1 1 348.490 3.999 20 30 EHEDMO C=CCOc1ccccc1C[NH2+]Cc1cc(C(OC)OC)ccc1F ZINC000818186389 1136864316 /nfs/dbraw/zinc/86/43/16/1136864316.db2.gz JWSYGVDLPXTKGV-UHFFFAOYSA-N 1 1 345.414 3.972 20 30 EHEDMO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)cc1C#N ZINC000859204402 1137007739 /nfs/dbraw/zinc/00/77/39/1137007739.db2.gz HIIPWOQTTJXPPD-NVXWUHKLSA-N 1 1 343.471 3.602 20 30 EHEDMO CN(C)c1[nH+]cc(/C=C/C(=O)c2cc(Cl)sc2Cl)n1C ZINC000821038516 1137014778 /nfs/dbraw/zinc/01/47/78/1137014778.db2.gz JBPXCLGLALSSLZ-SNAWJCMRSA-N 1 1 330.240 3.751 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCCC(F)(F)CC2)cc1 ZINC000859534801 1137018874 /nfs/dbraw/zinc/01/88/74/1137018874.db2.gz FYRSQWFGRQRNKD-MRXNPFEDSA-N 1 1 349.425 3.751 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCCC(F)(F)CC2)cc1 ZINC000859534801 1137018875 /nfs/dbraw/zinc/01/88/75/1137018875.db2.gz FYRSQWFGRQRNKD-MRXNPFEDSA-N 1 1 349.425 3.751 20 30 EHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859930378 1137037630 /nfs/dbraw/zinc/03/76/30/1137037630.db2.gz UZKIRYGKZRAKSL-SLFFLAALSA-N 1 1 345.446 3.622 20 30 EHEDMO C[C@@H](C[N@@H+](C)Cc1ccccc1C(C)(C)C#N)NC(=O)OC(C)(C)C ZINC000860093794 1137044160 /nfs/dbraw/zinc/04/41/60/1137044160.db2.gz HUNWTQDLROCUSO-HNNXBMFYSA-N 1 1 345.487 3.833 20 30 EHEDMO CCOc1c(C)cc(C)cc1NC(=[NH2+])c1ccc(C(=O)OC)cc1 ZINC001170989050 1137062997 /nfs/dbraw/zinc/06/29/97/1137062997.db2.gz JGEOGPIOKFWHPF-UHFFFAOYSA-N 1 1 326.396 3.526 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000862037388 1137127548 /nfs/dbraw/zinc/12/75/48/1137127548.db2.gz WGLZIDHIJTYNFH-KRWDZBQOSA-N 1 1 329.488 3.902 20 30 EHEDMO Cc1ccn2c(C[N@H+]3CCC[C@@H](Oc4ccccc4C#N)C3)cnc2c1 ZINC001136891306 1137141362 /nfs/dbraw/zinc/14/13/62/1137141362.db2.gz OLOYRUMLHDAQMN-LJQANCHMSA-N 1 1 346.434 3.558 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000824696962 1137147282 /nfs/dbraw/zinc/14/72/82/1137147282.db2.gz VWUCYUQINIEUNO-PWRODBHTSA-N 1 1 341.499 3.552 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000824690585 1137148370 /nfs/dbraw/zinc/14/83/70/1137148370.db2.gz HIGQTZDDXRJAAZ-KUHUBIRLSA-N 1 1 344.842 3.796 20 30 EHEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1c(CC)cc(C)cc1CC ZINC001171070020 1137155146 /nfs/dbraw/zinc/15/51/46/1137155146.db2.gz WFEHUYOIAOJOHW-SFHVURJKSA-N 1 1 332.488 3.759 20 30 EHEDMO C[N@H+](Cc1ccc(C#N)cc1F)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000824932778 1137158137 /nfs/dbraw/zinc/15/81/37/1137158137.db2.gz WZOZCDFOEFSBDU-UHFFFAOYSA-N 1 1 347.434 3.577 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1F)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000824932778 1137158138 /nfs/dbraw/zinc/15/81/38/1137158138.db2.gz WZOZCDFOEFSBDU-UHFFFAOYSA-N 1 1 347.434 3.577 20 30 EHEDMO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc(C4(C#N)CC4)cc3)CCO2)c1 ZINC000824950474 1137159029 /nfs/dbraw/zinc/15/90/29/1137159029.db2.gz SZGBSGHQUTXCLV-NRFANRHFSA-N 1 1 343.430 3.687 20 30 EHEDMO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)CCO2)c1 ZINC000824950474 1137159030 /nfs/dbraw/zinc/15/90/30/1137159030.db2.gz SZGBSGHQUTXCLV-NRFANRHFSA-N 1 1 343.430 3.687 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c[nH]c3cc(C)ccc13)C2 ZINC001136973397 1137161458 /nfs/dbraw/zinc/16/14/58/1137161458.db2.gz WVWKMVHKBMZLKG-RXVVDRJESA-N 1 1 340.467 3.802 20 30 EHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c[nH]c3cccc(F)c13)C2 ZINC001136983437 1137163757 /nfs/dbraw/zinc/16/37/57/1137163757.db2.gz SDPINKCXDKFRPO-OXJNMPFZSA-N 1 1 344.430 3.633 20 30 EHEDMO N#Cc1cccc(Cl)c1CN1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001143731040 1137194499 /nfs/dbraw/zinc/19/44/99/1137194499.db2.gz JXHBNBOGOQPVQZ-HXUWFJFHSA-N 1 1 337.854 3.627 20 30 EHEDMO N#Cc1cccc(Cl)c1CN1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001143731040 1137194500 /nfs/dbraw/zinc/19/45/00/1137194500.db2.gz JXHBNBOGOQPVQZ-HXUWFJFHSA-N 1 1 337.854 3.627 20 30 EHEDMO C[C@H](OC(=O)CCCCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000805913589 1137195500 /nfs/dbraw/zinc/19/55/00/1137195500.db2.gz JZGWNFQPCNVBSS-HKUYNNGSSA-N 1 1 328.456 3.914 20 30 EHEDMO C[C@H](C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000844370770 1137213261 /nfs/dbraw/zinc/21/32/61/1137213261.db2.gz JIEYKSVZWVUVJP-KUHUBIRLSA-N 1 1 328.843 3.981 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@@H+](CCC(C)(C)C#N)C2 ZINC000844356306 1137214782 /nfs/dbraw/zinc/21/47/82/1137214782.db2.gz FIXHYAVVGYLLID-KXBFYZLASA-N 1 1 335.492 3.553 20 30 EHEDMO C[C@H](CC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)OCc1ccccc1 ZINC000844367363 1137215826 /nfs/dbraw/zinc/21/58/26/1137215826.db2.gz ANPXRQYGRLKORP-UTKZUKDTSA-N 1 1 338.451 3.519 20 30 EHEDMO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844471362 1137227053 /nfs/dbraw/zinc/22/70/53/1137227053.db2.gz QGHQRMUISSJXFH-RPXHZFJKSA-N 1 1 346.421 3.598 20 30 EHEDMO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844471362 1137227055 /nfs/dbraw/zinc/22/70/55/1137227055.db2.gz QGHQRMUISSJXFH-RPXHZFJKSA-N 1 1 346.421 3.598 20 30 EHEDMO CC[N@@H+](Cc1ccc(Br)cc1)Cc1cncc(C#N)c1 ZINC001144083685 1137237542 /nfs/dbraw/zinc/23/75/42/1137237542.db2.gz OMOASKFTPUHHEL-UHFFFAOYSA-N 1 1 330.229 3.738 20 30 EHEDMO CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)Cc2cncc(C#N)c2)CC1 ZINC001144084930 1137237835 /nfs/dbraw/zinc/23/78/35/1137237835.db2.gz SPRVCACFTAWGQE-QAQDUYKDSA-N 1 1 343.471 3.535 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cn1)[C@@H]1CN2CCC1CC2 ZINC001144166678 1137248286 /nfs/dbraw/zinc/24/82/86/1137248286.db2.gz QLDCQNYJYKRBQI-VGOFRKELSA-N 1 1 346.478 3.611 20 30 EHEDMO C[C@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CN2CCC1CC2 ZINC001144166678 1137248287 /nfs/dbraw/zinc/24/82/87/1137248287.db2.gz QLDCQNYJYKRBQI-VGOFRKELSA-N 1 1 346.478 3.611 20 30 EHEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)ccc1Br ZINC001144230771 1137257367 /nfs/dbraw/zinc/25/73/67/1137257367.db2.gz RAEJTOULQKLKNP-UHFFFAOYSA-N 1 1 345.240 3.961 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](C2CCC2)C1 ZINC001171157229 1137268490 /nfs/dbraw/zinc/26/84/90/1137268490.db2.gz TVXLYHJGCXQMOU-WFASDCNBSA-N 1 1 331.847 3.661 20 30 EHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(Br)c(F)cc1O ZINC001144307710 1137271292 /nfs/dbraw/zinc/27/12/92/1137271292.db2.gz GETUXDZHOBTBOG-UHFFFAOYSA-N 1 1 349.203 3.797 20 30 EHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Br)c(F)cc1O ZINC001144307710 1137271293 /nfs/dbraw/zinc/27/12/93/1137271293.db2.gz GETUXDZHOBTBOG-UHFFFAOYSA-N 1 1 349.203 3.797 20 30 EHEDMO Cc1nc(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)sc1C ZINC001144378295 1137279242 /nfs/dbraw/zinc/27/92/42/1137279242.db2.gz DNUICMWIGSLYHZ-KRWDZBQOSA-N 1 1 327.453 3.675 20 30 EHEDMO Cc1nc(C[N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)sc1C ZINC001144378295 1137279243 /nfs/dbraw/zinc/27/92/43/1137279243.db2.gz DNUICMWIGSLYHZ-KRWDZBQOSA-N 1 1 327.453 3.675 20 30 EHEDMO CC(C)[N@@H+](C)CC1CCN(c2cc(C(F)(F)F)cc(C#N)n2)CC1 ZINC000865454661 1137285310 /nfs/dbraw/zinc/28/53/10/1137285310.db2.gz GJHLIHBCIOHEQJ-UHFFFAOYSA-N 1 1 340.393 3.529 20 30 EHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc3c(cc[nH]c3=O)o2)c1 ZINC000865464342 1137286189 /nfs/dbraw/zinc/28/61/89/1137286189.db2.gz YHUSHTVRSOEFPQ-AWEZNQCLSA-N 1 1 337.379 3.504 20 30 EHEDMO N#CC1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCCC1 ZINC000846011999 1137325969 /nfs/dbraw/zinc/32/59/69/1137325969.db2.gz STLCUAPOJWLQRL-UHFFFAOYSA-N 1 1 342.443 3.759 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1cncc(Br)c1 ZINC001171213081 1137334974 /nfs/dbraw/zinc/33/49/74/1137334974.db2.gz TZDQEFVRGMWCLD-ZDUSSCGKSA-N 1 1 344.256 3.779 20 30 EHEDMO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866218758 1137335835 /nfs/dbraw/zinc/33/58/35/1137335835.db2.gz XJZYKHKQXWPSKZ-CHWSQXEVSA-N 1 1 326.396 3.693 20 30 EHEDMO Cc1cccnc1O[C@H]1CCC[N@H+]([C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171232791 1137356246 /nfs/dbraw/zinc/35/62/46/1137356246.db2.gz WMKNXSUWBGEHMO-PXNSSMCTSA-N 1 1 335.451 3.736 20 30 EHEDMO C#CC[N@H+](Cc1cc2ccccc2n(C)c1=O)[C@@H]1CCc2ccccc21 ZINC000846780773 1137365198 /nfs/dbraw/zinc/36/51/98/1137365198.db2.gz TULOTRAUNGWFJM-JOCHJYFZSA-N 1 1 342.442 3.661 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000846904196 1137372667 /nfs/dbraw/zinc/37/26/67/1137372667.db2.gz BCUKUOIZCVJCQX-HNNXBMFYSA-N 1 1 327.815 3.627 20 30 EHEDMO COc1ccc(C(C)C)cc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000847008864 1137382338 /nfs/dbraw/zinc/38/23/38/1137382338.db2.gz NDRWUCKFJGXWRK-HXUWFJFHSA-N 1 1 338.451 3.856 20 30 EHEDMO C#C[C@@H]1CCC[N@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000847032354 1137383653 /nfs/dbraw/zinc/38/36/53/1137383653.db2.gz WUIWVBYHDAKRIP-CYBMUJFWSA-N 1 1 327.453 3.522 20 30 EHEDMO C#C[C@@H]1CCC[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000847032354 1137383655 /nfs/dbraw/zinc/38/36/55/1137383655.db2.gz WUIWVBYHDAKRIP-CYBMUJFWSA-N 1 1 327.453 3.522 20 30 EHEDMO N#Cc1ccc(C2([NH2+]Cc3cc(F)ccc3[N+](=O)[O-])CCC2)cc1 ZINC000847052154 1137384234 /nfs/dbraw/zinc/38/42/34/1137384234.db2.gz ISOKJJQNTWQSCB-UHFFFAOYSA-N 1 1 325.343 3.775 20 30 EHEDMO C[C@@H]1CC(N=Nc2ccc(-c3cccc(C(F)(F)F)c3)nn2)C[N@H+]1C ZINC000794980838 1137393190 /nfs/dbraw/zinc/39/31/90/1137393190.db2.gz GJCMJBKKPOIJHC-LLVKDONJSA-N 1 1 349.360 3.654 20 30 EHEDMO Fc1cccc(N=NC2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000795008341 1137406088 /nfs/dbraw/zinc/40/60/88/1137406088.db2.gz FVTXFJKDMVHBLU-SJORKVTESA-N 1 1 338.430 3.921 20 30 EHEDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000868428856 1137409727 /nfs/dbraw/zinc/40/97/27/1137409727.db2.gz MZFPFPJJVHEWPL-UXHICEINSA-N 1 1 348.450 3.517 20 30 EHEDMO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000868428856 1137409729 /nfs/dbraw/zinc/40/97/29/1137409729.db2.gz MZFPFPJJVHEWPL-UXHICEINSA-N 1 1 348.450 3.517 20 30 EHEDMO CC(C)(C#N)CCC[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000282763434 1137446596 /nfs/dbraw/zinc/44/65/96/1137446596.db2.gz LCOZSTMETNUXIR-UHFFFAOYSA-N 1 1 337.261 3.973 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000282763434 1137446597 /nfs/dbraw/zinc/44/65/97/1137446597.db2.gz LCOZSTMETNUXIR-UHFFFAOYSA-N 1 1 337.261 3.973 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCCC2(CCC2)C1 ZINC000348168996 1137449867 /nfs/dbraw/zinc/44/98/67/1137449867.db2.gz NZKNMBOIRKKURV-KRWDZBQOSA-N 1 1 325.456 3.588 20 30 EHEDMO C=CCOc1ccccc1[C@H](C)Nc1nc(N(C)CC)c(C)c[nH+]1 ZINC001171368821 1137458535 /nfs/dbraw/zinc/45/85/35/1137458535.db2.gz JUNKNEURZCZWPG-HNNXBMFYSA-N 1 1 326.444 3.979 20 30 EHEDMO C=CCOc1ccccc1[C@@H](C)Nc1nc(N(C)CC)c(C)c[nH+]1 ZINC001171368825 1137458706 /nfs/dbraw/zinc/45/87/06/1137458706.db2.gz JUNKNEURZCZWPG-OAHLLOKOSA-N 1 1 326.444 3.979 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NN[C@H]1CCCCC1(C)C ZINC000773123121 1137466995 /nfs/dbraw/zinc/46/69/95/1137466995.db2.gz FHFOVFUUTKRZBZ-APWZRJJASA-N 1 1 328.504 3.838 20 30 EHEDMO C#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC001171491699 1137491552 /nfs/dbraw/zinc/49/15/52/1137491552.db2.gz XPDYQTVQLVJKPK-CYBMUJFWSA-N 1 1 345.493 3.545 20 30 EHEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC001171491699 1137491554 /nfs/dbraw/zinc/49/15/54/1137491554.db2.gz XPDYQTVQLVJKPK-CYBMUJFWSA-N 1 1 345.493 3.545 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2nc(C(F)(F)F)cs2)cc1 ZINC000123336213 1137512316 /nfs/dbraw/zinc/51/23/16/1137512316.db2.gz LSWMXEUZMUJIQQ-JTQLQIEISA-N 1 1 341.358 3.743 20 30 EHEDMO C=C(Br)C[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000797873806 1137512787 /nfs/dbraw/zinc/51/27/87/1137512787.db2.gz UFSFEBJJUNTNQX-UHFFFAOYSA-N 1 1 332.245 3.848 20 30 EHEDMO C=CC[C@H]1CCC[N@H+](CC(=O)NCCc2c(C)cc(C)cc2C)C1 ZINC001171847009 1137515781 /nfs/dbraw/zinc/51/57/81/1137515781.db2.gz GHTBJRSGJNXTJC-IBGZPJMESA-N 1 1 328.500 3.559 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCC[C@@H](C#N)CC2)CC12CCC2 ZINC001171857749 1137515907 /nfs/dbraw/zinc/51/59/07/1137515907.db2.gz KCNYEFAEGKSOLD-SJORKVTESA-N 1 1 347.503 3.934 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H]1CSc3ccccc3C1)C2 ZINC001172203591 1137540773 /nfs/dbraw/zinc/54/07/73/1137540773.db2.gz IXKGNEGRADEFLG-BJLQDIEVSA-N 1 1 345.508 3.530 20 30 EHEDMO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3[C@@H](C)Cc2ccc(C#N)cc2)o1 ZINC001172303441 1137545262 /nfs/dbraw/zinc/54/52/62/1137545262.db2.gz CZRKGQUJHPMUMJ-WQTXXOFMSA-N 1 1 349.478 3.740 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](Cc1cccnc1)Cc1ccccn1 ZINC001172308140 1137545640 /nfs/dbraw/zinc/54/56/40/1137545640.db2.gz UDAAESJTUBFFSJ-SFHVURJKSA-N 1 1 342.446 3.982 20 30 EHEDMO CC(C)c1noc([C@H]2CCC[N@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)n1 ZINC001172319343 1137546975 /nfs/dbraw/zinc/54/69/75/1137546975.db2.gz MYYKIBHYRTYYCR-YJBOKZPZSA-N 1 1 338.455 3.875 20 30 EHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@H](C)CCO[C@H](C)CC)C2 ZINC001172333517 1137551377 /nfs/dbraw/zinc/55/13/77/1137551377.db2.gz YFEZPTZOUVZHOJ-UAFMIMERSA-N 1 1 339.520 3.654 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@H]2OCC[C@@H](C(=O)NC)[C@@H]2C1 ZINC001172357644 1137554218 /nfs/dbraw/zinc/55/42/18/1137554218.db2.gz LGVFGILBZXBROI-AKHDSKFASA-N 1 1 338.536 3.599 20 30 EHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2cc(Cl)c(OC)c(OC)c2)no1 ZINC000871781027 1137558071 /nfs/dbraw/zinc/55/80/71/1137558071.db2.gz ADGXEERKVHHIPV-JTQLQIEISA-N 1 1 344.198 3.550 20 30 EHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(C2(c3cccc(OC)c3)CCC2)no1 ZINC000872182285 1137575500 /nfs/dbraw/zinc/57/55/00/1137575500.db2.gz WECKKGWMNKXJFL-CQSZACIVSA-N 1 1 333.819 3.691 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2nc3cc(F)ccc3o2)c1 ZINC000873049418 1137588864 /nfs/dbraw/zinc/58/88/64/1137588864.db2.gz BJVTWOSWKCPBNN-OAHLLOKOSA-N 1 1 339.370 3.938 20 30 EHEDMO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc4nccnc4c3)C2)c1 ZINC001137090264 1137633982 /nfs/dbraw/zinc/63/39/82/1137633982.db2.gz ZBFNUEDSHMVHPE-LJQANCHMSA-N 1 1 344.418 3.545 20 30 EHEDMO N#Cc1cnc(Cl)c(CNC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000876885170 1137664586 /nfs/dbraw/zinc/66/45/86/1137664586.db2.gz LYHXHPJQXAQXAE-OAHLLOKOSA-N 1 1 346.887 3.595 20 30 EHEDMO N#Cc1cnc(Cl)c(C[NH2+]Cc2cccc(OCC(F)F)c2)c1 ZINC000877023236 1137667801 /nfs/dbraw/zinc/66/78/01/1137667801.db2.gz JNIVKDZCPAYGLQ-UHFFFAOYSA-N 1 1 337.757 3.540 20 30 EHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCCOc3c(F)cccc32)c1 ZINC000877166927 1137671968 /nfs/dbraw/zinc/67/19/68/1137671968.db2.gz IRTYYHLMYIQJNX-HNNXBMFYSA-N 1 1 331.778 3.749 20 30 EHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H](Sc3ccncc3)C2)cc1 ZINC001137119293 1137674702 /nfs/dbraw/zinc/67/47/02/1137674702.db2.gz DLTWYEFZZCYYBQ-LJQANCHMSA-N 1 1 339.464 3.741 20 30 EHEDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877381479 1137675109 /nfs/dbraw/zinc/67/51/09/1137675109.db2.gz HAOYMPINGPOUHX-NSHDSACASA-N 1 1 331.851 3.717 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000877390751 1137675213 /nfs/dbraw/zinc/67/52/13/1137675213.db2.gz UJSQDBNEQNHUML-AWEZNQCLSA-N 1 1 331.341 3.962 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@H+](Cc2ccc(O)cc2)CC2CC2)c1 ZINC000877525323 1137679515 /nfs/dbraw/zinc/67/95/15/1137679515.db2.gz ZIOYEGQRZZXOBB-UHFFFAOYSA-N 1 1 327.815 3.724 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)c1 ZINC000877525323 1137679516 /nfs/dbraw/zinc/67/95/16/1137679516.db2.gz ZIOYEGQRZZXOBB-UHFFFAOYSA-N 1 1 327.815 3.724 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000877533503 1137680134 /nfs/dbraw/zinc/68/01/34/1137680134.db2.gz PKFXBQGZZZPWGN-QFBILLFUSA-N 1 1 335.492 3.649 20 30 EHEDMO Cc1csc([C@H]2CC[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)n1 ZINC000877813320 1137691079 /nfs/dbraw/zinc/69/10/79/1137691079.db2.gz KZGDAONXLXTETN-HOCLYGCPSA-N 1 1 327.453 3.732 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000877901138 1137694639 /nfs/dbraw/zinc/69/46/39/1137694639.db2.gz HSKLKRRNXHARRB-DLBZAZTESA-N 1 1 338.373 3.701 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000877901138 1137694640 /nfs/dbraw/zinc/69/46/40/1137694640.db2.gz HSKLKRRNXHARRB-DLBZAZTESA-N 1 1 338.373 3.701 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCS[C@@H](C(C)C)C1)c1ccccc1 ZINC000878152686 1137704867 /nfs/dbraw/zinc/70/48/67/1137704867.db2.gz XOQKFYIPMIUQSZ-RTBURBONSA-N 1 1 330.497 3.500 20 30 EHEDMO Cc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000878488901 1137717731 /nfs/dbraw/zinc/71/77/31/1137717731.db2.gz LKZIFPJRBFCHJM-QGZVFWFLSA-N 1 1 348.450 3.777 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)C1CCC(F)(F)CC1)c1ccccc1 ZINC000878619498 1137722644 /nfs/dbraw/zinc/72/26/44/1137722644.db2.gz FNINPRKXMDVCRX-SFHVURJKSA-N 1 1 334.410 3.937 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCC2(CCOCC2)CO1 ZINC000878728530 1137726567 /nfs/dbraw/zinc/72/65/67/1137726567.db2.gz OEELBZUHIRYNNS-VQIMIIECSA-N 1 1 328.456 3.527 20 30 EHEDMO C[C@H](C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000878771949 1137727744 /nfs/dbraw/zinc/72/77/44/1137727744.db2.gz ATUUHLUPCUEMFI-KFWWJZLASA-N 1 1 339.405 3.727 20 30 EHEDMO C=CC(C)(C)CC(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000878810039 1137728936 /nfs/dbraw/zinc/72/89/36/1137728936.db2.gz ROLHIZWYBWLNBS-UHFFFAOYSA-N 1 1 349.544 3.636 20 30 EHEDMO C=CC[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000879032279 1137736012 /nfs/dbraw/zinc/73/60/12/1137736012.db2.gz QORJTEZOGASBHG-LLVKDONJSA-N 1 1 348.790 3.696 20 30 EHEDMO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+](C)CCc2cccc(C#N)c2)c(C)c1 ZINC000879434667 1137747819 /nfs/dbraw/zinc/74/78/19/1137747819.db2.gz MLSKZKFNSFPYGS-SFHVURJKSA-N 1 1 349.478 3.985 20 30 EHEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC000880024445 1137765806 /nfs/dbraw/zinc/76/58/06/1137765806.db2.gz JKMBJMSADSWZPN-CHWSQXEVSA-N 1 1 336.398 3.588 20 30 EHEDMO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](CF)C2)sc2c1CCCCC2 ZINC000880292147 1137773647 /nfs/dbraw/zinc/77/36/47/1137773647.db2.gz MHDAZUOHMWRGLF-CYBMUJFWSA-N 1 1 349.475 3.509 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880317505 1137774906 /nfs/dbraw/zinc/77/49/06/1137774906.db2.gz OUFYYXYICBIHGO-GFCCVEGCSA-N 1 1 333.844 3.688 20 30 EHEDMO Cc1cc(F)c(C#N)cc1NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000880994615 1137796631 /nfs/dbraw/zinc/79/66/31/1137796631.db2.gz PVUXEXSTUCCBNO-UHFFFAOYSA-N 1 1 346.450 3.590 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cccc3cccnc31)CC2 ZINC001137174547 1137823568 /nfs/dbraw/zinc/82/35/68/1137823568.db2.gz HHYGECJYGNMIJG-QFIPXVFZSA-N 1 1 349.478 3.768 20 30 EHEDMO CC(C)(CCC#N)CNc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883345465 1137856165 /nfs/dbraw/zinc/85/61/65/1137856165.db2.gz CRDSUKNSXKLDLM-LJQANCHMSA-N 1 1 326.488 3.713 20 30 EHEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000331392899 1137892838 /nfs/dbraw/zinc/89/28/38/1137892838.db2.gz BCMWOTSBTFXHSY-JKSUJKDBSA-N 1 1 349.434 3.515 20 30 EHEDMO CCc1ccc([C@H]2CCC[N@@H+]2[C@H](C)C(=O)NC2(C#N)CCCCC2)o1 ZINC000331569574 1137912945 /nfs/dbraw/zinc/91/29/45/1137912945.db2.gz HKNKTYVDUCTOPP-NVXWUHKLSA-N 1 1 343.471 3.710 20 30 EHEDMO CCc1ccc([C@H]2CCC[N@H+]2[C@H](C)C(=O)NC2(C#N)CCCCC2)o1 ZINC000331569574 1137912946 /nfs/dbraw/zinc/91/29/46/1137912946.db2.gz HKNKTYVDUCTOPP-NVXWUHKLSA-N 1 1 343.471 3.710 20 30 EHEDMO CCc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)NC2(C#N)CCCCC2)o1 ZINC000331569576 1137912955 /nfs/dbraw/zinc/91/29/55/1137912955.db2.gz HKNKTYVDUCTOPP-RDJZCZTQSA-N 1 1 343.471 3.710 20 30 EHEDMO CCc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)NC2(C#N)CCCCC2)o1 ZINC000331569576 1137912956 /nfs/dbraw/zinc/91/29/56/1137912956.db2.gz HKNKTYVDUCTOPP-RDJZCZTQSA-N 1 1 343.471 3.710 20 30 EHEDMO C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000331744755 1137919028 /nfs/dbraw/zinc/91/90/28/1137919028.db2.gz XDPOMTMOSDRWJJ-DNVCBOLYSA-N 1 1 325.456 3.533 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000118391975 1137933646 /nfs/dbraw/zinc/93/36/46/1137933646.db2.gz VCPNQGOQWLHNGZ-GOSISDBHSA-N 1 1 344.462 3.699 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000118391975 1137933647 /nfs/dbraw/zinc/93/36/47/1137933647.db2.gz VCPNQGOQWLHNGZ-GOSISDBHSA-N 1 1 344.462 3.699 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000118391975 1137933648 /nfs/dbraw/zinc/93/36/48/1137933648.db2.gz VCPNQGOQWLHNGZ-GOSISDBHSA-N 1 1 344.462 3.699 20 30 EHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000121057870 1137954784 /nfs/dbraw/zinc/95/47/84/1137954784.db2.gz UTXONEBPXQSIAB-LBPRGKRZSA-N 1 1 325.250 3.674 20 30 EHEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)ccc1F ZINC000134807702 1137960934 /nfs/dbraw/zinc/96/09/34/1137960934.db2.gz YWSDAUXDVWXQGV-AZUAARDMSA-N 1 1 342.389 3.925 20 30 EHEDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C2CC2)o1 ZINC000885930990 1138026091 /nfs/dbraw/zinc/02/60/91/1138026091.db2.gz NMYGEAIKUDRWDP-UWWQBHOKSA-N 1 1 328.456 3.812 20 30 EHEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)CCC1 ZINC000886049705 1138035343 /nfs/dbraw/zinc/03/53/43/1138035343.db2.gz SLMRIFLIOCQORM-ROUUACIJSA-N 1 1 337.467 3.792 20 30 EHEDMO C=CCn1cc(C[NH2+][C@@H]2CCCc3c4cccc(Cl)c4[nH]c32)nn1 ZINC000886628224 1138103634 /nfs/dbraw/zinc/10/36/34/1138103634.db2.gz JQTVBYGWHHOJTG-MRXNPFEDSA-N 1 1 341.846 3.766 20 30 EHEDMO N#CCSCCC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000074990209 1138125432 /nfs/dbraw/zinc/12/54/32/1138125432.db2.gz BBUDKYQJTCLZNX-MRXNPFEDSA-N 1 1 342.468 3.910 20 30 EHEDMO N#CCSCCC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000074990603 1138125595 /nfs/dbraw/zinc/12/55/95/1138125595.db2.gz WHLWUIWINJFFNJ-UHFFFAOYSA-N 1 1 347.311 3.825 20 30 EHEDMO C=CCC1(O)CC[NH+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)CC1 ZINC000886760084 1138133783 /nfs/dbraw/zinc/13/37/83/1138133783.db2.gz YOHNLNVBAUJVIK-HNNXBMFYSA-N 1 1 327.428 3.509 20 30 EHEDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000093200790 1138234622 /nfs/dbraw/zinc/23/46/22/1138234622.db2.gz QWQTVBVAOQELJO-KRWDZBQOSA-N 1 1 342.874 3.744 20 30 EHEDMO COc1ccc(C[N@@H+](C)CCc2nccs2)cc1OCCCC#N ZINC000093844073 1138242279 /nfs/dbraw/zinc/24/22/79/1138242279.db2.gz GDLZYVHSLPBIBF-UHFFFAOYSA-N 1 1 345.468 3.509 20 30 EHEDMO C=CCC(CC=C)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000121941675 1138252633 /nfs/dbraw/zinc/25/26/33/1138252633.db2.gz KMOXSWHVFKOJIE-UHFFFAOYSA-N 1 1 330.447 3.628 20 30 EHEDMO C=CCC(CC=C)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000121941675 1138252634 /nfs/dbraw/zinc/25/26/34/1138252634.db2.gz KMOXSWHVFKOJIE-UHFFFAOYSA-N 1 1 330.447 3.628 20 30 EHEDMO Cc1cc(N(CCC#N)C(=O)Cn2cc[nH+]c2C(C)C)ccc1Cl ZINC000123629405 1138272771 /nfs/dbraw/zinc/27/27/71/1138272771.db2.gz OTAKBDGADPPYMP-UHFFFAOYSA-N 1 1 344.846 3.915 20 30 EHEDMO C=CC[N@@H+](CCOC)Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000348416203 1138282141 /nfs/dbraw/zinc/28/21/41/1138282141.db2.gz XIOSAQNQMGUCLW-UHFFFAOYSA-N 1 1 339.361 3.526 20 30 EHEDMO C=CC[N@H+](CCOC)Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000348416203 1138282144 /nfs/dbraw/zinc/28/21/44/1138282144.db2.gz XIOSAQNQMGUCLW-UHFFFAOYSA-N 1 1 339.361 3.526 20 30 EHEDMO CC(C)n1cc(C2=CCC[N@H+](C3CCC(C)(C#N)CC3)CC2)nn1 ZINC000333503971 1138297777 /nfs/dbraw/zinc/29/77/77/1138297777.db2.gz CYZBQQJFIYEGGI-UHFFFAOYSA-N 1 1 327.476 3.811 20 30 EHEDMO COc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)c(OC)c1OC ZINC000130407077 1138453332 /nfs/dbraw/zinc/45/33/32/1138453332.db2.gz VOOLDWSCDKCBRU-KRWDZBQOSA-N 1 1 340.423 3.847 20 30 EHEDMO C=CCN1CC[C@@H]([N@@H+]2CCc3sccc3[C@H]2c2cccs2)C1=O ZINC000337137795 1138476174 /nfs/dbraw/zinc/47/61/74/1138476174.db2.gz PWWYTGCRVSGUSS-PBHICJAKSA-N 1 1 344.505 3.544 20 30 EHEDMO C=CCN1CC[C@@H]([N@H+]2CCc3sccc3[C@H]2c2cccs2)C1=O ZINC000337137795 1138476176 /nfs/dbraw/zinc/47/61/76/1138476176.db2.gz PWWYTGCRVSGUSS-PBHICJAKSA-N 1 1 344.505 3.544 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000264395387 1138499983 /nfs/dbraw/zinc/49/99/83/1138499983.db2.gz BUUJAZCNKRCJPJ-GOEBONIOSA-N 1 1 337.398 3.514 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000264395387 1138499984 /nfs/dbraw/zinc/49/99/84/1138499984.db2.gz BUUJAZCNKRCJPJ-GOEBONIOSA-N 1 1 337.398 3.514 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000337257859 1138511461 /nfs/dbraw/zinc/51/14/61/1138511461.db2.gz UCQZZWZOAHTFEY-UHFFFAOYSA-N 1 1 327.815 3.834 20 30 EHEDMO C#CCOc1ccccc1C[NH2+]Cc1ccc(OC)c(OC)c1Cl ZINC000265119153 1138734427 /nfs/dbraw/zinc/73/44/27/1138734427.db2.gz CVJPJADGBGPXKX-UHFFFAOYSA-N 1 1 345.826 3.659 20 30 EHEDMO Cc1cc(C[NH+]2CCC(C#N)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000151590554 1139045422 /nfs/dbraw/zinc/04/54/22/1139045422.db2.gz PHUYQSHJCPMZLU-UHFFFAOYSA-N 1 1 326.831 3.841 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)o1 ZINC000174310086 1139413277 /nfs/dbraw/zinc/41/32/77/1139413277.db2.gz KKJVPIHFUHBOMF-UHFFFAOYSA-N 1 1 337.423 3.960 20 30 EHEDMO C=C(C)COc1cc(C[NH2+]Cc2ncc(CC)s2)ccc1OC ZINC000174627028 1139432115 /nfs/dbraw/zinc/43/21/15/1139432115.db2.gz RZNJOSDNESQARR-UHFFFAOYSA-N 1 1 332.469 3.959 20 30 EHEDMO COc1ccc(C[NH2+][C@H](C)c2ncc(C)s2)cc1OCCCC#N ZINC000175858793 1139523709 /nfs/dbraw/zinc/52/37/09/1139523709.db2.gz WJJHYNQXMBMEOZ-CQSZACIVSA-N 1 1 345.468 3.994 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000176002025 1139533751 /nfs/dbraw/zinc/53/37/51/1139533751.db2.gz GJPQISLBCRENSR-WBVHZDCISA-N 1 1 331.460 3.588 20 30 EHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000177070961 1139596626 /nfs/dbraw/zinc/59/66/26/1139596626.db2.gz HZVNCYJKRIIKIU-DOTOQJQBSA-N 1 1 343.471 3.683 20 30 EHEDMO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)ccc1-n1cncn1 ZINC000180028669 1139803315 /nfs/dbraw/zinc/80/33/15/1139803315.db2.gz JABZQGBYWJAJLJ-UHFFFAOYSA-N 1 1 343.434 3.612 20 30 EHEDMO CCc1ccc([C@H](COC)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)o1 ZINC000181812246 1139932722 /nfs/dbraw/zinc/93/27/22/1139932722.db2.gz RKNYQJBULMRKLW-KSSFIOAISA-N 1 1 328.412 3.783 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](C)C[C@@H](C)c2nccs2)cc1OC ZINC000183258707 1140026134 /nfs/dbraw/zinc/02/61/34/1140026134.db2.gz ODMPPCBIYWPIJL-CQSZACIVSA-N 1 1 332.469 3.952 20 30 EHEDMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1nc(C)cs1 ZINC000184369696 1140099039 /nfs/dbraw/zinc/09/90/39/1140099039.db2.gz OCUWKVRFIHODKA-FZMZJTMJSA-N 1 1 346.456 3.601 20 30 EHEDMO C[C@@H]([NH2+]CCOc1ccccc1C#N)c1nc(C2CCCCC2)no1 ZINC000185251447 1140142045 /nfs/dbraw/zinc/14/20/45/1140142045.db2.gz DKFWZXVDOPMEFU-CQSZACIVSA-N 1 1 340.427 3.719 20 30 EHEDMO CC[N@@H+](CCOCC(F)(F)C(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000188871765 1140311449 /nfs/dbraw/zinc/31/14/49/1140311449.db2.gz HVXNIHRJCIRFDA-GFCCVEGCSA-N 1 1 332.341 3.858 20 30 EHEDMO COc1ccc(C[N@H+]2CCSC[C@H](C)C2)cc1OCCCC#N ZINC000190845418 1140420800 /nfs/dbraw/zinc/42/08/00/1140420800.db2.gz WVNFQTKFHZMLBP-OAHLLOKOSA-N 1 1 334.485 3.563 20 30 EHEDMO Cn1cc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1C#N ZINC000191428741 1140463574 /nfs/dbraw/zinc/46/35/74/1140463574.db2.gz QATMSJAMPXJSDH-OAHLLOKOSA-N 1 1 340.496 3.612 20 30 EHEDMO Cc1nc(C[NH+]2CCC(CNc3ccc(F)cc3C#N)CC2)oc1C ZINC000266336976 1140669620 /nfs/dbraw/zinc/66/96/20/1140669620.db2.gz HPBDIJSITSFWSY-UHFFFAOYSA-N 1 1 342.418 3.626 20 30 EHEDMO Cc1cc(F)cc2c1ncc(C#N)c2N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266461117 1140691023 /nfs/dbraw/zinc/69/10/23/1140691023.db2.gz YSWKOAIWQDNMRB-UHFFFAOYSA-N 1 1 335.386 3.661 20 30 EHEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000266611175 1140708162 /nfs/dbraw/zinc/70/81/62/1140708162.db2.gz WLMYDTVIAINZFG-HXUWFJFHSA-N 1 1 336.435 3.628 20 30 EHEDMO C=CCn1c(SCCn2cc[nH+]c2C)nnc1-c1cccc(C)c1 ZINC000270657675 1141252620 /nfs/dbraw/zinc/25/26/20/1141252620.db2.gz NRVWFBMCLHOVEN-UHFFFAOYSA-N 1 1 339.468 3.737 20 30 EHEDMO C[N@H+]1CC[C@H](CNc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270707874 1141260160 /nfs/dbraw/zinc/26/01/60/1141260160.db2.gz KEBBWBPEQRRBSJ-RDTXWAMCSA-N 1 1 344.821 3.851 20 30 EHEDMO C[N@H+]1CC[C@H](CNc2ncccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270722702 1141261794 /nfs/dbraw/zinc/26/17/94/1141261794.db2.gz OSLBMVJMEOMCDH-RHSMWYFYSA-N 1 1 344.821 3.851 20 30 EHEDMO N#CC1(c2ccccc2)CCC([NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC000271070865 1141304481 /nfs/dbraw/zinc/30/44/81/1141304481.db2.gz LMUUJPHMKKDYRI-UHFFFAOYSA-N 1 1 337.511 3.855 20 30 EHEDMO C=CC[N@H+](Cc1ccc(CF)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823909638 609268368 /nfs/dbraw/zinc/26/83/68/609268368.db2.gz LYILPGKUKISPCJ-UHFFFAOYSA-N 1 1 337.402 3.524 20 30 EHEDMO Cc1cc(C#N)c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1C ZINC001164624381 719072040 /nfs/dbraw/zinc/07/20/40/719072040.db2.gz LLYFMEKJSAAVAM-CTNGQTDRSA-N 1 1 346.478 3.671 20 30 EHEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@@H](C)[N@H+](C)C[C@H]3C)c12 ZINC001164635753 719258827 /nfs/dbraw/zinc/25/88/27/719258827.db2.gz QJSZOGDHAICHJX-GHMZBOCLSA-N 1 1 346.837 3.736 20 30 EHEDMO C=CC[N@@H+](CCCc1ccsc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823904225 946513302 /nfs/dbraw/zinc/51/33/02/946513302.db2.gz XBYKVNVQPDUEPH-UHFFFAOYSA-N 1 1 339.468 3.549 20 30 EHEDMO Cc1cc(C)cc([C@H]2CC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)c1 ZINC000183214139 1125474608 /nfs/dbraw/zinc/47/46/08/1125474608.db2.gz PETCXQIFAZLCBQ-SFHVURJKSA-N 1 1 330.435 3.812 20 30 EHEDMO CC[C@H](C(=O)N(CCC#N)CC(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000339274106 1014139925 /nfs/dbraw/zinc/13/99/25/1014139925.db2.gz KUKUOLBJAKKFEV-GOSISDBHSA-N 1 1 329.488 3.685 20 30 EHEDMO C=CCc1cc(C[N@@H+](C)Cc2cccc(N(C)C)c2)cc(OC)c1O ZINC000536665110 1032086788 /nfs/dbraw/zinc/08/67/88/1032086788.db2.gz ROWGLWLXDUGMDF-UHFFFAOYSA-N 1 1 340.467 3.827 20 30 EHEDMO C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654727090 1014256245 /nfs/dbraw/zinc/25/62/45/1014256245.db2.gz FSXKBIMGIYMOFR-OALUTQOASA-N 1 1 345.462 3.540 20 30 EHEDMO C=CCOc1ccccc1C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000339424557 1014400270 /nfs/dbraw/zinc/40/02/70/1014400270.db2.gz LCRJNYOCYMKTBV-UHFFFAOYSA-N 1 1 336.435 3.515 20 30 EHEDMO C=CCOc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000339427389 1014405556 /nfs/dbraw/zinc/40/55/56/1014405556.db2.gz YQJXOCVHXATTBU-UHFFFAOYSA-N 1 1 336.435 3.515 20 30 EHEDMO C=CCC1(C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)CCCC1 ZINC000449061029 1032104443 /nfs/dbraw/zinc/10/44/43/1032104443.db2.gz HHFGDMBMNSJRTN-KRWDZBQOSA-N 1 1 330.472 3.551 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2coc(-c3cccs3)n2)no1 ZINC000904537100 1032105482 /nfs/dbraw/zinc/10/54/82/1032105482.db2.gz CUNFGCPYZDDCRY-GFCCVEGCSA-N 1 1 330.413 3.733 20 30 EHEDMO N#C[C@H](c1ccccc1)N1CC[NH+](CCSc2ccccc2)CC1 ZINC000471153830 1014989387 /nfs/dbraw/zinc/98/93/87/1014989387.db2.gz ZNAOSLOXLNVLTA-HXUWFJFHSA-N 1 1 337.492 3.661 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339678322 1015507505 /nfs/dbraw/zinc/50/75/05/1015507505.db2.gz MDLMQXHLPOQGFT-JSGCOSHPSA-N 1 1 331.847 3.661 20 30 EHEDMO CC1=C[C@@H](C)C[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000430265744 1015565463 /nfs/dbraw/zinc/56/54/63/1015565463.db2.gz FPYZDSMOFWACPE-GDBMZVCRSA-N 1 1 343.496 3.917 20 30 EHEDMO CC1=C[C@@H](C)C[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000430265744 1015565474 /nfs/dbraw/zinc/56/54/74/1015565474.db2.gz FPYZDSMOFWACPE-GDBMZVCRSA-N 1 1 343.496 3.917 20 30 EHEDMO CC[C@@H]1CCCCN1C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000339713101 1015588478 /nfs/dbraw/zinc/58/84/78/1015588478.db2.gz WMYMSUBCFBEGFN-LJQANCHMSA-N 1 1 327.472 3.560 20 30 EHEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547733523 1015677025 /nfs/dbraw/zinc/67/70/25/1015677025.db2.gz BLHCTXXALLSNEH-UHFFFAOYSA-N 1 1 341.499 3.950 20 30 EHEDMO CC1=C[C@@H](C)C[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000430274644 1015705573 /nfs/dbraw/zinc/70/55/73/1015705573.db2.gz FHCXLYIEIMMQGJ-ZBFHGGJFSA-N 1 1 343.496 3.775 20 30 EHEDMO CC1=C[C@@H](C)C[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000430274644 1015705576 /nfs/dbraw/zinc/70/55/76/1015705576.db2.gz FHCXLYIEIMMQGJ-ZBFHGGJFSA-N 1 1 343.496 3.775 20 30 EHEDMO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1cc(F)c(Cl)cc1Cl ZINC000070787130 1016582191 /nfs/dbraw/zinc/58/21/91/1016582191.db2.gz GQDSSNCUMMNCTQ-ZJUUUORDSA-N 1 1 346.233 3.544 20 30 EHEDMO C[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)Cc1ccc(C#N)cc1 ZINC000189651418 1016628766 /nfs/dbraw/zinc/62/87/66/1016628766.db2.gz IYEHVVCOIPLJQI-UHFFFAOYSA-N 1 1 334.398 3.574 20 30 EHEDMO C[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)Cc1ccc(C#N)cc1 ZINC000189651418 1016628778 /nfs/dbraw/zinc/62/87/78/1016628778.db2.gz IYEHVVCOIPLJQI-UHFFFAOYSA-N 1 1 334.398 3.574 20 30 EHEDMO CC[N@H+](CC(=O)Nc1ccccc1OC)[C@@H](C)c1cccc(C#N)c1 ZINC000189758171 1016710272 /nfs/dbraw/zinc/71/02/72/1016710272.db2.gz ZBNBUYIQOFHIJN-HNNXBMFYSA-N 1 1 337.423 3.588 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1ccccc1OC)[C@@H](C)c1cccc(C#N)c1 ZINC000189758171 1016710284 /nfs/dbraw/zinc/71/02/84/1016710284.db2.gz ZBNBUYIQOFHIJN-HNNXBMFYSA-N 1 1 337.423 3.588 20 30 EHEDMO CC(C)C[N@H+](CCN1C[C@H](C)C[C@@H](C)C1)Cc1ccc(C#N)cc1 ZINC001167240297 1016729144 /nfs/dbraw/zinc/72/91/44/1016729144.db2.gz BLANQPMOYWSVFQ-RTBURBONSA-N 1 1 327.516 3.994 20 30 EHEDMO CC(C)C[N@@H+](CCN1C[C@H](C)C[C@@H](C)C1)Cc1ccc(C#N)cc1 ZINC001167240297 1016729153 /nfs/dbraw/zinc/72/91/53/1016729153.db2.gz BLANQPMOYWSVFQ-RTBURBONSA-N 1 1 327.516 3.994 20 30 EHEDMO N#Cc1ccc(C2=CC[N@H+]([C@H]3CCN(C4CCCCC4)C3=O)CC2)cc1 ZINC000528431691 1032268506 /nfs/dbraw/zinc/26/85/06/1032268506.db2.gz QIYZVPDBMYSEGK-NRFANRHFSA-N 1 1 349.478 3.581 20 30 EHEDMO N#Cc1ccc(C2=CC[N@@H+]([C@H]3CCN(C4CCCCC4)C3=O)CC2)cc1 ZINC000528431691 1032268519 /nfs/dbraw/zinc/26/85/19/1032268519.db2.gz QIYZVPDBMYSEGK-NRFANRHFSA-N 1 1 349.478 3.581 20 30 EHEDMO C[C@H](Nc1ncc(C#N)cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485142547 1032343861 /nfs/dbraw/zinc/34/38/61/1032343861.db2.gz BJEOJDJMKXLVSJ-WMLDXEAASA-N 1 1 340.858 3.929 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459640610 1032361067 /nfs/dbraw/zinc/36/10/67/1032361067.db2.gz LQUADWCZRQFJHP-MRXNPFEDSA-N 1 1 338.373 3.739 20 30 EHEDMO CO[C@H](Cc1ccc(F)cc1)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000528514308 1032389905 /nfs/dbraw/zinc/38/99/05/1032389905.db2.gz ZWOVYOPMUFFNLA-NRSPTQNISA-N 1 1 338.426 3.622 20 30 EHEDMO CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000528514308 1032389916 /nfs/dbraw/zinc/38/99/16/1032389916.db2.gz ZWOVYOPMUFFNLA-NRSPTQNISA-N 1 1 338.426 3.622 20 30 EHEDMO CCOC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000459699351 1032424633 /nfs/dbraw/zinc/42/46/33/1032424633.db2.gz CYNQRUKAJORIMK-OAHLLOKOSA-N 1 1 337.261 3.712 20 30 EHEDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000459699351 1032424640 /nfs/dbraw/zinc/42/46/40/1032424640.db2.gz CYNQRUKAJORIMK-OAHLLOKOSA-N 1 1 337.261 3.712 20 30 EHEDMO COc1cc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)ccc1C#N ZINC000449340303 1032455506 /nfs/dbraw/zinc/45/55/06/1032455506.db2.gz VUGIKJRYWBTKLY-CQSZACIVSA-N 1 1 332.325 3.761 20 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3.975 20 30 EHEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]2CCCC[C@@H]12 ZINC000541112451 1017542602 /nfs/dbraw/zinc/54/26/02/1017542602.db2.gz PXKMLLNHIQNPPF-PVUWLOKVSA-N 1 1 331.847 3.661 20 30 EHEDMO CCSCC[C@@H](C)[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000177360041 1017644084 /nfs/dbraw/zinc/64/40/84/1017644084.db2.gz SUVSQHUHLLLWFJ-LLVKDONJSA-N 1 1 339.530 3.639 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC(C)(C)C#N)C2 ZINC000377343209 1017666988 /nfs/dbraw/zinc/66/69/88/1017666988.db2.gz DDDBEMYCALLIKR-LJQANCHMSA-N 1 1 335.492 3.649 20 30 EHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000122368810 1017754782 /nfs/dbraw/zinc/75/47/82/1017754782.db2.gz BXNNWGKOGCOJMD-BBRMVZONSA-N 1 1 349.500 3.887 20 30 EHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000122368810 1017754797 /nfs/dbraw/zinc/75/47/97/1017754797.db2.gz BXNNWGKOGCOJMD-BBRMVZONSA-N 1 1 349.500 3.887 20 30 EHEDMO 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ZINC000891179886 1018489991 /nfs/dbraw/zinc/48/99/91/1018489991.db2.gz DDGKPQAOCLSCCP-RFGFWPKPSA-N 1 1 345.512 3.974 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000545421096 1018549247 /nfs/dbraw/zinc/54/92/47/1018549247.db2.gz ZYYZBOABQPLKND-STQMWFEESA-N 1 1 345.512 3.803 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000545421096 1018549257 /nfs/dbraw/zinc/54/92/57/1018549257.db2.gz ZYYZBOABQPLKND-STQMWFEESA-N 1 1 345.512 3.803 20 30 EHEDMO CC[C@@H](CC#N)[NH2+]CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000580090433 1018625066 /nfs/dbraw/zinc/62/50/66/1018625066.db2.gz UEYUEAJOKMDLGV-IBGZPJMESA-N 1 1 335.451 3.516 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000683826909 1018725656 /nfs/dbraw/zinc/72/56/56/1018725656.db2.gz XUZSNLQCJFYTDB-WOJBJXKFSA-N 1 1 341.499 3.649 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c(C(F)(F)F)c1 ZINC000449554467 1032790560 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Cc1ccc(C#N)cc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000083560543 1019314673 /nfs/dbraw/zinc/31/46/73/1019314673.db2.gz KQVFWAYGNSVNHI-KRWDZBQOSA-N 1 1 348.450 3.605 20 30 EHEDMO CC[N@@H+](CCCNC(=O)c1ccc(CC#N)cc1)C1CCCCC1 ZINC000593248158 1032828980 /nfs/dbraw/zinc/82/89/80/1032828980.db2.gz BRQDFXNCIMAEMT-UHFFFAOYSA-N 1 1 327.472 3.527 20 30 EHEDMO CC[N@@H+](CCCNC(=O)[C@]1(C#N)CC12CCCC2)C1CCCCC1 ZINC000593248419 1032829407 /nfs/dbraw/zinc/82/94/07/1032829407.db2.gz BIJOEMMYDKDWTN-HXUWFJFHSA-N 1 1 331.504 3.621 20 30 EHEDMO CC[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC001167413633 1019500847 /nfs/dbraw/zinc/50/08/47/1019500847.db2.gz YBKACYBECAWZLV-KGLIPLIRSA-N 1 1 345.512 3.948 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000574281442 1032877659 /nfs/dbraw/zinc/87/76/59/1032877659.db2.gz SVGLBLGHHKCJOI-SFHVURJKSA-N 1 1 336.395 3.543 20 30 EHEDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](C[C@@H](C)CCC#N)C2)cc1 ZINC000602453226 1032883347 /nfs/dbraw/zinc/88/33/47/1032883347.db2.gz GTPZBLIXOQXBMT-ZWKOTPCHSA-N 1 1 342.487 3.768 20 30 EHEDMO C=C(Br)C[NH+]1CCC(n2c(C)nc3ccccc32)CC1 ZINC000280304489 1020297450 /nfs/dbraw/zinc/29/74/50/1020297450.db2.gz WHMDXQXNUKOIKR-UHFFFAOYSA-N 1 1 334.261 3.890 20 30 EHEDMO C[N@@H+](CCOc1ccc(C#N)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000580976228 1020328145 /nfs/dbraw/zinc/32/81/45/1020328145.db2.gz XLUXWXNBJBNQGG-GASCZTMLSA-N 1 1 326.362 3.990 20 30 EHEDMO COc1ccc(-c2csc(C[NH2+]C[C@H](C#N)CCC#N)c2)cc1 ZINC000610480830 1020451462 /nfs/dbraw/zinc/45/14/62/1020451462.db2.gz CSUBSSOOUMSLQS-AWEZNQCLSA-N 1 1 325.437 3.957 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000172753324 1032907862 /nfs/dbraw/zinc/90/78/62/1032907862.db2.gz BEZFJLYLVOEDTF-FQEVSTJZSA-N 1 1 349.434 3.796 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC(C)C)C2)c(C#N)c1C ZINC000345852171 1020555990 /nfs/dbraw/zinc/55/59/90/1020555990.db2.gz VFQPYBUNAUEGAT-GOEBONIOSA-N 1 1 331.460 3.853 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC(C)C)C2)c(C#N)c1C ZINC000345852171 1020555999 /nfs/dbraw/zinc/55/59/99/1020555999.db2.gz VFQPYBUNAUEGAT-GOEBONIOSA-N 1 1 331.460 3.853 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000602487011 1032917029 /nfs/dbraw/zinc/91/70/29/1032917029.db2.gz SBNXURGRFPKSEP-UTKZUKDTSA-N 1 1 349.478 3.974 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000510400482 1020761152 /nfs/dbraw/zinc/76/11/52/1020761152.db2.gz ZIDOLPDUYKERAI-QFIPXVFZSA-N 1 1 347.462 3.651 20 30 EHEDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(-n2cncn2)cc1 ZINC000187405165 1020876221 /nfs/dbraw/zinc/87/62/21/1020876221.db2.gz ASMKAMBLWZSRRL-ZDUSSCGKSA-N 1 1 337.814 3.643 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000581431951 1020913729 /nfs/dbraw/zinc/91/37/29/1020913729.db2.gz CSUATWVRLFDSER-INIZCTEOSA-N 1 1 339.370 3.670 20 30 EHEDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)c1C ZINC001167464133 1020931551 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CC[N@H+]1CC[C@@H](N(C)CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000426449274 1021615434 /nfs/dbraw/zinc/61/54/34/1021615434.db2.gz IVNYNQXOXGKAEO-CRAIPNDOSA-N 1 1 338.417 3.862 20 30 EHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000426450094 1021618153 /nfs/dbraw/zinc/61/81/53/1021618153.db2.gz XANCKECKIJOKNO-GOSISDBHSA-N 1 1 337.385 3.950 20 30 EHEDMO N#Cc1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cs1 ZINC000891467955 1021700075 /nfs/dbraw/zinc/70/00/75/1021700075.db2.gz QHLLJSFMDMGMBP-MRXNPFEDSA-N 1 1 328.437 3.507 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)o1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000426511287 1021771058 /nfs/dbraw/zinc/77/10/58/1021771058.db2.gz YYFDYDDJECXVGV-HNNXBMFYSA-N 1 1 325.412 3.699 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)o1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000426511287 1021771070 /nfs/dbraw/zinc/77/10/70/1021771070.db2.gz YYFDYDDJECXVGV-HNNXBMFYSA-N 1 1 325.412 3.699 20 30 EHEDMO COc1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1OCCCC#N ZINC000593695611 1033008211 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CDYAPWYPALJDEH-INIZCTEOSA-N 1 1 342.468 3.716 20 30 EHEDMO C[C@]1(CNC(=O)Nc2cccc(C#N)c2)CCC[N@H+]1Cc1ccccc1 ZINC000426097556 1022902262 /nfs/dbraw/zinc/90/22/62/1022902262.db2.gz GDNVNLNBKWJFLA-OAQYLSRUSA-N 1 1 348.450 3.734 20 30 EHEDMO C[C@H](CCC#N)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000602707985 1033094928 /nfs/dbraw/zinc/09/49/28/1033094928.db2.gz XDQGHQGXOAPTBE-QAPCUYQASA-N 1 1 328.456 3.867 20 30 EHEDMO COc1cc(CN2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000383093414 1023024716 /nfs/dbraw/zinc/02/47/16/1023024716.db2.gz WDKGVVWPCSBRBO-SFHVURJKSA-N 1 1 349.478 3.663 20 30 EHEDMO COc1ccc(C#N)cc1CN1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000383093455 1023025281 /nfs/dbraw/zinc/02/52/81/1023025281.db2.gz WIWMKXPLOSVTSR-SFHVURJKSA-N 1 1 349.478 3.663 20 30 EHEDMO C=CC(C)(C)CNC(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000458992910 1023040931 /nfs/dbraw/zinc/04/09/31/1023040931.db2.gz WYJZRKQCDYKDOM-UHFFFAOYSA-N 1 1 335.536 3.742 20 30 EHEDMO CC[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)C[C@@H](O)C(F)(F)F ZINC000189876468 1023128346 /nfs/dbraw/zinc/12/83/46/1023128346.db2.gz ZQMXELFMEYUZDH-LLVKDONJSA-N 1 1 333.247 3.590 20 30 EHEDMO CC[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)C[C@@H](O)C(F)(F)F ZINC000189876468 1023128350 /nfs/dbraw/zinc/12/83/50/1023128350.db2.gz ZQMXELFMEYUZDH-LLVKDONJSA-N 1 1 333.247 3.590 20 30 EHEDMO CC(C)(C)[N@H+]1CCCN(C(=O)Nc2ccc(C#N)cc2C2CC2)CC1 ZINC000933842977 1023141793 /nfs/dbraw/zinc/14/17/93/1023141793.db2.gz UXYSWCOINMUPGP-UHFFFAOYSA-N 1 1 340.471 3.774 20 30 EHEDMO CCN(CCC#N)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000080169388 1033116852 /nfs/dbraw/zinc/11/68/52/1033116852.db2.gz OXBQCHPYBJAWQT-UHFFFAOYSA-N 1 1 339.443 3.822 20 30 EHEDMO C=CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(OC)cc1 ZINC000510866256 1023323064 /nfs/dbraw/zinc/32/30/64/1023323064.db2.gz ZDLLZKWFNSNHGQ-UHFFFAOYSA-N 1 1 326.396 3.834 20 30 EHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000164400003 1033131211 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346.471 3.701 20 30 EHEDMO C=CCCN(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000466974365 1024134278 /nfs/dbraw/zinc/13/42/78/1024134278.db2.gz SRLHZEZACJGLJP-KRWDZBQOSA-N 1 1 329.488 3.779 20 30 EHEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000428314431 1024155797 /nfs/dbraw/zinc/15/57/97/1024155797.db2.gz UQWVDHIWKAIGBB-ZDUSSCGKSA-N 1 1 337.398 3.897 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1c[nH]c2ccccc12 ZINC000190455583 1024163463 /nfs/dbraw/zinc/16/34/63/1024163463.db2.gz VIOUPJRYMNDWOX-UHFFFAOYSA-N 1 1 346.434 3.890 20 30 EHEDMO C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611899325 1033190920 /nfs/dbraw/zinc/19/09/20/1033190920.db2.gz VJEAPHVEUBAPJA-IIBYNOLFSA-N 1 1 347.462 3.887 20 30 EHEDMO CC(=O)Nc1ccccc1CC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000329866713 1024227608 /nfs/dbraw/zinc/22/76/08/1024227608.db2.gz BGBCOYZDUOVYKD-INIZCTEOSA-N 1 1 329.444 3.810 20 30 EHEDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135290292 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30 EHEDMO C=CCC[C@H]([NH2+]Cc1nccc(N)n1)c1ccc(C(F)(F)F)cc1 ZINC000342217901 1024447042 /nfs/dbraw/zinc/44/70/42/1024447042.db2.gz GFCHPDFIBMEFRN-AWEZNQCLSA-N 1 1 336.361 3.705 20 30 EHEDMO C=CCN1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168026942 1024468259 /nfs/dbraw/zinc/46/82/59/1024468259.db2.gz MKQQXYVXOMODIW-MXNKGDRCSA-N 1 1 341.543 3.668 20 30 EHEDMO C=CCOc1cccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000434988247 1024543501 /nfs/dbraw/zinc/54/35/01/1024543501.db2.gz ZOGVGWZUFHZZNZ-JOCHJYFZSA-N 1 1 347.462 3.634 20 30 EHEDMO Cc1ccc(C)c([C@@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)c1 ZINC000474236017 1024624192 /nfs/dbraw/zinc/62/41/92/1024624192.db2.gz WMGORMGHNZBUGL-IBGZPJMESA-N 1 1 339.483 3.783 20 30 EHEDMO C=CCC[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000435112846 1024629070 /nfs/dbraw/zinc/62/90/70/1024629070.db2.gz DWTKMSPXKOMUSZ-OTWHNJEPSA-N 1 1 327.472 3.620 20 30 EHEDMO C[C@H]1Oc2ccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)cc2NC1=O ZINC000330311020 1024676847 /nfs/dbraw/zinc/67/68/47/1024676847.db2.gz VLIVEUPRMLFFFG-OCCSQVGLSA-N 1 1 331.416 3.908 20 30 EHEDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000507925220 1024778439 /nfs/dbraw/zinc/77/84/39/1024778439.db2.gz SNQDDSYAVJXDBB-OAHLLOKOSA-N 1 1 341.405 3.715 20 30 EHEDMO C[C@H](C(=O)N[C@H](C#N)c1ccccc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000505689881 1024900598 /nfs/dbraw/zinc/90/05/98/1024900598.db2.gz KQQAQJCNUCSWDF-RDTXWAMCSA-N 1 1 341.842 3.541 20 30 EHEDMO C[C@H](C(=O)N[C@@H](C#N)c1ccccc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000505689879 1024900646 /nfs/dbraw/zinc/90/06/46/1024900646.db2.gz KQQAQJCNUCSWDF-KDOFPFPSSA-N 1 1 341.842 3.541 20 30 EHEDMO C=CCS(=O)(=O)CC[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000783530507 1025025028 /nfs/dbraw/zinc/02/50/28/1025025028.db2.gz AMBWTDDZVIJVRN-SFHVURJKSA-N 1 1 349.883 3.620 20 30 EHEDMO C=CCC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000435765302 1025127619 /nfs/dbraw/zinc/12/76/19/1025127619.db2.gz SLOOQHKCXDCRFB-MOPGFXCFSA-N 1 1 327.472 3.572 20 30 EHEDMO CCCCc1noc([C@@H](C)[NH+]2CCC(c3ccc(C#N)cn3)CC2)n1 ZINC000602913375 1033260884 /nfs/dbraw/zinc/26/08/84/1033260884.db2.gz SPBNVGMGWJICOX-CQSZACIVSA-N 1 1 339.443 3.619 20 30 EHEDMO C=CC[N@H+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1ccccc1 ZINC000027775584 1025210402 /nfs/dbraw/zinc/21/04/02/1025210402.db2.gz VRRRVXYPOSHDIR-NRFANRHFSA-N 1 1 334.463 3.868 20 30 EHEDMO C=CC[N@@H+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1ccccc1 ZINC000027775584 1025210407 /nfs/dbraw/zinc/21/04/07/1025210407.db2.gz VRRRVXYPOSHDIR-NRFANRHFSA-N 1 1 334.463 3.868 20 30 EHEDMO N#Cc1ccnc(N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000342402269 1025212525 /nfs/dbraw/zinc/21/25/25/1025212525.db2.gz CZKYWGOSFYOXSU-MRXNPFEDSA-N 1 1 346.356 3.658 20 30 EHEDMO CCOC(=O)CC(C)(C)CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000346836906 1025227325 /nfs/dbraw/zinc/22/73/25/1025227325.db2.gz DFGUZGTVDKBHOZ-UHFFFAOYSA-N 1 1 328.456 3.892 20 30 EHEDMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000521196578 1025268982 /nfs/dbraw/zinc/26/89/82/1025268982.db2.gz NOYMMCKGNSZYFQ-HXUWFJFHSA-N 1 1 338.451 3.517 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](c3noc(C)n3)C2)cc1Cl ZINC000896239288 1025282058 /nfs/dbraw/zinc/28/20/58/1025282058.db2.gz ILNCAVVVAUGKNH-AWEZNQCLSA-N 1 1 333.819 3.586 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](c3noc(C)n3)C2)cc1Cl ZINC000896239288 1025282070 /nfs/dbraw/zinc/28/20/70/1025282070.db2.gz ILNCAVVVAUGKNH-AWEZNQCLSA-N 1 1 333.819 3.586 20 30 EHEDMO C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](Cc3csc(C#N)c3)CC2)n1 ZINC000895158523 1025306687 /nfs/dbraw/zinc/30/66/87/1025306687.db2.gz XPRJCODHXBOAOK-MLGOLLRUSA-N 1 1 342.468 3.581 20 30 EHEDMO CC[N@@H+](Cc1ccc(-n2cncn2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119876184 1025374234 /nfs/dbraw/zinc/37/42/34/1025374234.db2.gz BMBROVMEPYPFRG-INIZCTEOSA-N 1 1 331.423 3.722 20 30 EHEDMO COc1nc(C)cc(C)c1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347012565 1025409074 /nfs/dbraw/zinc/40/90/74/1025409074.db2.gz SKLCIQAMDJTNIC-UHFFFAOYSA-N 1 1 333.435 3.868 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nc3c(cc2C#N)CCC3)C1 ZINC000505768945 1025444770 /nfs/dbraw/zinc/44/47/70/1025444770.db2.gz LXMZDOVOYGFZGD-IAGOWNOFSA-N 1 1 338.499 3.533 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[C@H]1C#N ZINC000602980169 1033283408 /nfs/dbraw/zinc/28/34/08/1033283408.db2.gz MRVOGLPDLRCWHU-XHDPSFHLSA-N 1 1 340.254 3.946 20 30 EHEDMO Cc1ccc2nc(CNC(=[NH2+])Nc3cccc4c3CCCC4)[nH]c2c1 ZINC000262386542 1025527661 /nfs/dbraw/zinc/52/76/61/1025527661.db2.gz HVJAVUQRUWXEOM-UHFFFAOYSA-N 1 1 333.439 3.677 20 30 EHEDMO C[C@H](c1cccc(Nc2c(C#N)cccc2C#N)c1)[NH+]1CCOCC1 ZINC000436384584 1025652061 /nfs/dbraw/zinc/65/20/61/1025652061.db2.gz GYADPNBOJUFIHH-OAHLLOKOSA-N 1 1 332.407 3.567 20 30 EHEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cnn(C2CCCCC2)c1C ZINC000329212630 1025670134 /nfs/dbraw/zinc/67/01/34/1025670134.db2.gz IAOYWGRTKNABPL-KRWDZBQOSA-N 1 1 332.492 3.876 20 30 EHEDMO C[C@H](C#N)N(CC[C@@H]1CCC[N@H+]1C)Cc1cccc(C(F)(F)F)c1 ZINC000425543024 1025701194 /nfs/dbraw/zinc/70/11/94/1025701194.db2.gz YYWFQRFORYYLBK-PBHICJAKSA-N 1 1 339.405 3.904 20 30 EHEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC(C)(C)CO ZINC000451254758 1025729572 /nfs/dbraw/zinc/72/95/72/1025729572.db2.gz PQKLKAFCSKWNGG-UHFFFAOYSA-N 1 1 336.479 3.837 20 30 EHEDMO Cc1c(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cnn1C1CCCCC1 ZINC000329310829 1025745301 /nfs/dbraw/zinc/74/53/01/1025745301.db2.gz FYZWWZSPWMTMRN-DZGCQCFKSA-N 1 1 330.476 3.627 20 30 EHEDMO C[N@@H+](CCC(=O)N[C@@H](CCC#N)c1ccccc1)C1CCCCC1 ZINC000548720972 1025777215 /nfs/dbraw/zinc/77/72/15/1025777215.db2.gz ZIFGNUBWZOQXIS-IBGZPJMESA-N 1 1 327.472 3.802 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCCC(C)(C)CC1 ZINC000303933356 1025825358 /nfs/dbraw/zinc/82/53/58/1025825358.db2.gz RDCPHKKVCROWKY-QGZVFWFLSA-N 1 1 327.472 3.834 20 30 EHEDMO C[C@]1(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCOC1 ZINC000329431369 1025842558 /nfs/dbraw/zinc/84/25/58/1025842558.db2.gz ILRLLTNQDKJUII-KXBFYZLASA-N 1 1 331.460 3.629 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911249 1025854563 /nfs/dbraw/zinc/85/45/63/1025854563.db2.gz CIVJTVPPXUIXJZ-ROUUACIJSA-N 1 1 347.245 3.955 20 30 EHEDMO CCc1nnc(C)cc1C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000329444431 1025855711 /nfs/dbraw/zinc/85/57/11/1025855711.db2.gz CDVYSFKIWNBGIV-OAHLLOKOSA-N 1 1 332.492 3.553 20 30 EHEDMO COc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1OC ZINC000428334007 1025946416 /nfs/dbraw/zinc/94/64/16/1025946416.db2.gz VSQCPXJUEFOMDS-CYBMUJFWSA-N 1 1 328.387 3.874 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2C(C)C)c1C ZINC000143289215 1026029552 /nfs/dbraw/zinc/02/95/52/1026029552.db2.gz FEMROZPQSPMPCI-SFHVURJKSA-N 1 1 327.472 3.671 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1)C1CC1 ZINC000522992422 1026035563 /nfs/dbraw/zinc/03/55/63/1026035563.db2.gz JLTAWDCGMTWJRP-UHFFFAOYSA-N 1 1 333.435 3.819 20 30 EHEDMO C=CC[C@@H]1CC[N@H+]1Cc1csc(-c2ccc(OC)cc2OC)n1 ZINC000934469473 1026265840 /nfs/dbraw/zinc/26/58/40/1026265840.db2.gz DADFOZROSUNZKC-CQSZACIVSA-N 1 1 330.453 3.978 20 30 EHEDMO C=CC[C@@H]1CC[N@@H+]1Cc1csc(-c2ccc(OC)cc2OC)n1 ZINC000934469473 1026265847 /nfs/dbraw/zinc/26/58/47/1026265847.db2.gz DADFOZROSUNZKC-CQSZACIVSA-N 1 1 330.453 3.978 20 30 EHEDMO FC1(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 ZINC000897053510 1026279451 /nfs/dbraw/zinc/27/94/51/1026279451.db2.gz BGBHQTGYZMVPIJ-KNVOCYPGSA-N 1 1 341.217 3.591 20 30 EHEDMO FC1(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 ZINC000897053510 1026279463 /nfs/dbraw/zinc/27/94/63/1026279463.db2.gz BGBHQTGYZMVPIJ-KNVOCYPGSA-N 1 1 341.217 3.591 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@H+](CC)Cc1ccc(Cl)c(Cl)c1 ZINC000342563595 1026298082 /nfs/dbraw/zinc/29/80/82/1026298082.db2.gz ZYLBGMFADQIBSJ-UHFFFAOYSA-N 1 1 342.270 3.577 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@@H+](CC)Cc1ccc(Cl)c(Cl)c1 ZINC000342563595 1026298090 /nfs/dbraw/zinc/29/80/90/1026298090.db2.gz ZYLBGMFADQIBSJ-UHFFFAOYSA-N 1 1 342.270 3.577 20 30 EHEDMO C=CCCC[N@H+](C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000523009754 1026330926 /nfs/dbraw/zinc/33/09/26/1026330926.db2.gz IYFFSSFKYSSQHX-HXUWFJFHSA-N 1 1 325.452 3.991 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(C#N)c(C#N)c2)cc1)C(C)C ZINC000152580753 1026373157 /nfs/dbraw/zinc/37/31/57/1026373157.db2.gz HJGHDHYJDZXERP-UHFFFAOYSA-N 1 1 346.434 3.913 20 30 EHEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3ccc(C#N)cc3OC)C2)c1 ZINC000452017440 1026436021 /nfs/dbraw/zinc/43/60/21/1026436021.db2.gz NJZXXQLRDNVOOZ-WGSAOQKQSA-N 1 1 336.435 3.953 20 30 EHEDMO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000530971065 1026448929 /nfs/dbraw/zinc/44/89/29/1026448929.db2.gz BEVPAXPWPXJZHG-UXHICEINSA-N 1 1 334.419 3.745 20 30 EHEDMO COC(=O)c1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000530971065 1026448932 /nfs/dbraw/zinc/44/89/32/1026448932.db2.gz BEVPAXPWPXJZHG-UXHICEINSA-N 1 1 334.419 3.745 20 30 EHEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)CC[N@H+]1CCCC[C@H]1C ZINC000339237966 1026466990 /nfs/dbraw/zinc/46/69/90/1026466990.db2.gz NTVGSWLQAZRWOS-QGZVFWFLSA-N 1 1 327.472 3.561 20 30 EHEDMO C[N@H+]1CCCC[C@H]1CCC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000452140975 1026510546 /nfs/dbraw/zinc/51/05/46/1026510546.db2.gz RZLQXRJEUUCOIX-OALUTQOASA-N 1 1 327.472 3.802 20 30 EHEDMO N#Cc1c(C#N)c(N[C@H]2CC[N@H+]3CCCC[C@H]23)nc2c1CCCCCC2 ZINC000479372861 1026602670 /nfs/dbraw/zinc/60/26/70/1026602670.db2.gz FROHFFFPNIPXOU-VQTJNVASSA-N 1 1 349.482 3.523 20 30 EHEDMO C[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCCO1 ZINC000193048678 1026691657 /nfs/dbraw/zinc/69/16/57/1026691657.db2.gz MXJCKKQOGNTOAG-LJQANCHMSA-N 1 1 334.463 3.997 20 30 EHEDMO C=CCC[N@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 ZINC000342718196 1026826793 /nfs/dbraw/zinc/82/67/93/1026826793.db2.gz ICFJAHSWSMMECG-UHFFFAOYSA-N 1 1 345.468 3.574 20 30 EHEDMO CC[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC[C@H]1c1ccccc1 ZINC000472237457 1026849724 /nfs/dbraw/zinc/84/97/24/1026849724.db2.gz DRDCGACUKMOQCF-YFVAEKQCSA-N 1 1 341.499 3.557 20 30 EHEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(N(C)c3ccccc3)cc2)C1=O ZINC000684967185 1026874617 /nfs/dbraw/zinc/87/46/17/1026874617.db2.gz SXLPKTNUEJWVBP-OAQYLSRUSA-N 1 1 349.478 3.673 20 30 EHEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000501207973 1027135289 /nfs/dbraw/zinc/13/52/89/1027135289.db2.gz WEFAWBJQDQPKIL-HXUWFJFHSA-N 1 1 335.451 3.668 20 30 EHEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000501268716 1027170860 /nfs/dbraw/zinc/17/08/60/1027170860.db2.gz JHTAUNLNXSCMFF-UHFFFAOYSA-N 1 1 345.240 3.961 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000501306196 1027196411 /nfs/dbraw/zinc/19/64/11/1027196411.db2.gz SYQMZKSWSZRVSJ-SFHVURJKSA-N 1 1 342.826 3.874 20 30 EHEDMO N#CC1(c2ccccc2)CC([NH2+]Cc2nc(C(F)(F)F)cs2)C1 ZINC000127272554 1027289463 /nfs/dbraw/zinc/28/94/63/1027289463.db2.gz RVMSLGCKJZAIEN-UHFFFAOYSA-N 1 1 337.370 3.875 20 30 EHEDMO C[N@@H+](Cc1ccccc1CNC(=O)NCCCC#N)C1CCCCC1 ZINC000273228286 1027322220 /nfs/dbraw/zinc/32/22/20/1027322220.db2.gz VUTPQBVWDWNEQM-UHFFFAOYSA-N 1 1 342.487 3.554 20 30 EHEDMO C[C@@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000475902058 1027442151 /nfs/dbraw/zinc/44/21/51/1027442151.db2.gz UDIXCPMGBYKXLD-KRWDZBQOSA-N 1 1 349.478 3.738 20 30 EHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)cc1Cl ZINC000097492037 1027580311 /nfs/dbraw/zinc/58/03/11/1027580311.db2.gz CAWVKBDICIENKW-UHFFFAOYSA-N 1 1 344.842 3.869 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)cc1Cl ZINC000097492037 1027580317 /nfs/dbraw/zinc/58/03/17/1027580317.db2.gz CAWVKBDICIENKW-UHFFFAOYSA-N 1 1 344.842 3.869 20 30 EHEDMO N#Cc1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)ccc1F ZINC000121383201 1027583656 /nfs/dbraw/zinc/58/36/56/1027583656.db2.gz FLITZGVGPCFYDQ-INIZCTEOSA-N 1 1 340.373 3.931 20 30 EHEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)ccc1F ZINC000121383201 1027583666 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347.499 3.676 20 30 EHEDMO C=CC[N@@H+](CCC(C)(C)O)Cc1cc(Br)ccc1F ZINC000462321192 1036803302 /nfs/dbraw/zinc/80/33/02/1036803302.db2.gz UMMYFGINCLJOFW-UHFFFAOYSA-N 1 1 330.241 3.737 20 30 EHEDMO C=CC[N@H+](CCC(C)(C)O)Cc1cc(Br)ccc1F ZINC000462321192 1036803320 /nfs/dbraw/zinc/80/33/20/1036803320.db2.gz UMMYFGINCLJOFW-UHFFFAOYSA-N 1 1 330.241 3.737 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CC3CC2(c2ccccc2)C3)c1 ZINC000595911054 1036860290 /nfs/dbraw/zinc/86/02/90/1036860290.db2.gz ZZHXEBDYFKMOPY-UHFFFAOYSA-N 1 1 331.419 3.508 20 30 EHEDMO COc1ccc(OCC[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000464827540 1036861139 /nfs/dbraw/zinc/86/11/39/1036861139.db2.gz HPMHPBUAEONFPP-NHCUHLMSSA-N 1 1 336.435 3.846 20 30 EHEDMO COc1ccc(OCC[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000464827540 1036861162 /nfs/dbraw/zinc/86/11/62/1036861162.db2.gz HPMHPBUAEONFPP-NHCUHLMSSA-N 1 1 336.435 3.846 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000464843064 1036878245 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C[C@H](NCc1ccc(C#N)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272147086 1037105415 /nfs/dbraw/zinc/10/54/15/1037105415.db2.gz CQLNCIWUSFERCE-OXJNMPFZSA-N 1 1 337.442 3.698 20 30 EHEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C2CC2)C2CCCC2)c(OC)c1 ZINC000590925983 1037127258 /nfs/dbraw/zinc/12/72/58/1037127258.db2.gz DDHBBEMNZUIRKN-LJQANCHMSA-N 1 1 345.483 3.570 20 30 EHEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C2CC2)C2CCCC2)c(OC)c1 ZINC000590925982 1037128046 /nfs/dbraw/zinc/12/80/46/1037128046.db2.gz DDHBBEMNZUIRKN-IBGZPJMESA-N 1 1 345.483 3.570 20 30 EHEDMO CCC[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)CC1CCCCC1 ZINC000057755441 1037130772 /nfs/dbraw/zinc/13/07/72/1037130772.db2.gz WPHURXPUFXOXMI-FQEVSTJZSA-N 1 1 344.499 3.785 20 30 EHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+]([C@H]3CCCc4ccc(F)cc43)C2)nc1 ZINC000428795547 1037172190 /nfs/dbraw/zinc/17/21/90/1037172190.db2.gz XACKVLIRKBCYOC-MJGOQNOKSA-N 1 1 337.398 3.623 20 30 EHEDMO Cc1cccc(NC(=O)CO[NH+]=C(N)CCCc2ccccc2)c1C ZINC000057858577 1037217736 /nfs/dbraw/zinc/21/77/36/1037217736.db2.gz YNTYFJLELVLIPW-UHFFFAOYSA-N 1 1 339.439 3.554 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)COCc1ccco1 ZINC000057944105 1037262268 /nfs/dbraw/zinc/26/22/68/1037262268.db2.gz LUHBQEMUEAEFCM-ZDUSSCGKSA-N 1 1 341.860 3.560 20 30 EHEDMO Cc1ccc([C@H]2CC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)cc1 ZINC000542319965 1037284437 /nfs/dbraw/zinc/28/44/37/1037284437.db2.gz DEZWNIINJJWGTM-MJGOQNOKSA-N 1 1 339.483 3.516 20 30 EHEDMO COc1ccccc1[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000610944638 1037323825 /nfs/dbraw/zinc/32/38/25/1037323825.db2.gz CUBRJWZDYSQDIC-LJQANCHMSA-N 1 1 349.434 3.733 20 30 EHEDMO COc1ccccc1[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000610944638 1037323845 /nfs/dbraw/zinc/32/38/45/1037323845.db2.gz CUBRJWZDYSQDIC-LJQANCHMSA-N 1 1 349.434 3.733 20 30 EHEDMO C#C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(Cl)cc1F ZINC000491780799 1037686886 /nfs/dbraw/zinc/68/68/86/1037686886.db2.gz LFXFMYUXOGAABE-HNNXBMFYSA-N 1 1 348.771 3.770 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000540286214 1037768581 /nfs/dbraw/zinc/76/85/81/1037768581.db2.gz NHVBDZFMOGSATG-JZXOWHBKSA-N 1 1 334.467 3.948 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1cccc2[nH]ccc21 ZINC000494045862 1037792613 /nfs/dbraw/zinc/79/26/13/1037792613.db2.gz CNMRXKOQPIUPQR-UHFFFAOYSA-N 1 1 332.407 3.500 20 30 EHEDMO C#CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC001168235350 1037820545 /nfs/dbraw/zinc/82/05/45/1037820545.db2.gz UIQIXNUSHAZFAM-SFHVURJKSA-N 1 1 346.474 3.950 20 30 EHEDMO C#CC[N@@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC001168235350 1037820564 /nfs/dbraw/zinc/82/05/64/1037820564.db2.gz UIQIXNUSHAZFAM-SFHVURJKSA-N 1 1 346.474 3.950 20 30 EHEDMO N#CCCC1CC[NH+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000592135190 1037843538 /nfs/dbraw/zinc/84/35/38/1037843538.db2.gz WCTOGGHWALVHFE-UHFFFAOYSA-N 1 1 347.825 3.576 20 30 EHEDMO N#CC[C@]1(O)CC[N@@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000592150694 1037847818 /nfs/dbraw/zinc/84/78/18/1037847818.db2.gz HDRXDZJJWSSQPY-IBGZPJMESA-N 1 1 342.826 3.983 20 30 EHEDMO N#CCc1ccc(C[N@@H+]2CCC[C@H](O)[C@@H]2CCc2ccccc2)cc1 ZINC000592166791 1037862503 /nfs/dbraw/zinc/86/25/03/1037862503.db2.gz IICAQTDBQUAQAY-VXKWHMMOSA-N 1 1 334.463 3.711 20 30 EHEDMO N#Cc1c(F)cccc1C[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592176804 1037905886 /nfs/dbraw/zinc/90/58/86/1037905886.db2.gz FAPZSYGXAXSKPN-FQEVSTJZSA-N 1 1 336.410 3.857 20 30 EHEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1nc(-c2cccc(OC)c2)c[nH]1 ZINC000378179907 1038149007 /nfs/dbraw/zinc/14/90/07/1038149007.db2.gz NFTKVRTZFULMMP-QFBILLFUSA-N 1 1 341.455 3.549 20 30 EHEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cccc(CC#N)c2)c1 ZINC000455918505 1038585861 /nfs/dbraw/zinc/58/58/61/1038585861.db2.gz KZDGHCQPLFFEBM-UHFFFAOYSA-N 1 1 336.439 3.526 20 30 EHEDMO C=CCN(C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000538953096 1038612427 /nfs/dbraw/zinc/61/24/27/1038612427.db2.gz ALSFABVCLIXWBP-QGZVFWFLSA-N 1 1 341.499 3.779 20 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1038898180 /nfs/dbraw/zinc/89/81/80/1038898180.db2.gz WONNXQFSZGFHMG-IIBYNOLFSA-N 1 1 346.478 3.868 20 30 EHEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2nnn(-c3ccccc3)c2C)cc1 ZINC000552090999 1038946391 /nfs/dbraw/zinc/94/63/91/1038946391.db2.gz ZRAUQOPCFJKJFW-MRXNPFEDSA-N 1 1 348.450 3.991 20 30 EHEDMO C=CCSc1ccccc1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000485461682 1039104252 /nfs/dbraw/zinc/10/42/52/1039104252.db2.gz FVJMDQQUWJBQOB-UHFFFAOYSA-N 1 1 340.492 3.827 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000898515698 1039181442 /nfs/dbraw/zinc/18/14/42/1039181442.db2.gz CLTRLHPZCZQLND-UXHICEINSA-N 1 1 341.499 3.675 20 30 EHEDMO C=CC[C@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000488605561 1039291566 /nfs/dbraw/zinc/29/15/66/1039291566.db2.gz CSRVEFTUMHVMRL-QFIPXVFZSA-N 1 1 348.490 3.911 20 30 EHEDMO C=CCC(C)(C)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000429827282 1039318899 /nfs/dbraw/zinc/31/88/99/1039318899.db2.gz BQGRDCAKYZVDDT-CALCHBBNSA-N 1 1 344.499 3.514 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000552513071 1039330640 /nfs/dbraw/zinc/33/06/40/1039330640.db2.gz FBPNXPIGZPOOCQ-KRWDZBQOSA-N 1 1 337.398 3.515 20 30 EHEDMO C=CCn1cccc1C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000488734547 1039360190 /nfs/dbraw/zinc/36/01/90/1039360190.db2.gz QVDMOQXXDZWJKR-HNNXBMFYSA-N 1 1 334.423 3.659 20 30 EHEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431928073 1039505929 /nfs/dbraw/zinc/50/59/29/1039505929.db2.gz SKMPZSRUWZYSLD-OALUTQOASA-N 1 1 342.487 3.595 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000489013247 1039542321 /nfs/dbraw/zinc/54/23/21/1039542321.db2.gz IINJBCLRVOQDTM-WMLDXEAASA-N 1 1 325.387 3.697 20 30 EHEDMO CC[N@@H+](CCc1ccccc1C(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000480530228 1039650778 /nfs/dbraw/zinc/65/07/78/1039650778.db2.gz VYDZRBNWLQEUTI-INIZCTEOSA-N 1 1 336.435 3.970 20 30 EHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCCC[C@H]3C)sc2C1 ZINC000553063236 1039745683 /nfs/dbraw/zinc/74/56/83/1039745683.db2.gz HPZFGDNOOMSARA-ZIAGYGMSSA-N 1 1 345.512 3.948 20 30 EHEDMO CC[C@@H](C)C[N@@H+](CC)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000489361906 1039901152 /nfs/dbraw/zinc/90/11/52/1039901152.db2.gz TZFWBBMCIOTFBP-CHWSQXEVSA-N 1 1 333.501 3.803 20 30 EHEDMO COc1cccc(-c2noc([C@H](C)[NH2+][C@@H](C)CC(C)(C)C#N)n2)c1 ZINC000893973552 1039906397 /nfs/dbraw/zinc/90/63/97/1039906397.db2.gz WPSAEXDCLLULSR-STQMWFEESA-N 1 1 328.416 3.724 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CC1(C)C ZINC000489485362 1040030712 /nfs/dbraw/zinc/03/07/12/1040030712.db2.gz VJACFYBXCYPAAC-CZUORRHYSA-N 1 1 331.485 3.607 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CC1(C)C ZINC000489485362 1040030732 /nfs/dbraw/zinc/03/07/32/1040030732.db2.gz VJACFYBXCYPAAC-CZUORRHYSA-N 1 1 331.485 3.607 20 30 EHEDMO C[C@@H](C#N)C[N@@H+](CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C1CC1 ZINC000894084698 1040042875 /nfs/dbraw/zinc/04/28/75/1040042875.db2.gz MZVJNGIIKMXYLP-UNPWZGGWSA-N 1 1 347.503 3.789 20 30 EHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000489507712 1040047998 /nfs/dbraw/zinc/04/79/98/1040047998.db2.gz JDCOCJDRDIHPDC-OLZOCXBDSA-N 1 1 330.255 3.774 20 30 EHEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H]3CCC[C@H]31)CCC2 ZINC000245463470 1040050880 /nfs/dbraw/zinc/05/08/80/1040050880.db2.gz XKIDJRCOEOPTDB-XJKSGUPXSA-N 1 1 343.496 3.702 20 30 EHEDMO C#CCOc1ccccc1CNCc1cccc(C[NH+](CC)CC)c1 ZINC000236926991 1040229708 /nfs/dbraw/zinc/22/97/08/1040229708.db2.gz DXWQKMMTUXYURN-UHFFFAOYSA-N 1 1 336.479 3.830 20 30 EHEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169086 1040339458 /nfs/dbraw/zinc/33/94/58/1040339458.db2.gz SHOUVGBTZPJABN-LJQANCHMSA-N 1 1 325.500 3.651 20 30 EHEDMO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614169660 1040345056 /nfs/dbraw/zinc/34/50/56/1040345056.db2.gz JPUVGKWDONDYPX-QGZVFWFLSA-N 1 1 328.456 3.794 20 30 EHEDMO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614169660 1040345067 /nfs/dbraw/zinc/34/50/67/1040345067.db2.gz JPUVGKWDONDYPX-QGZVFWFLSA-N 1 1 328.456 3.794 20 30 EHEDMO CC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccccn1 ZINC000156848172 1040355609 /nfs/dbraw/zinc/35/56/09/1040355609.db2.gz AVPARCKHMXPQMD-UHFFFAOYSA-N 1 1 334.341 3.854 20 30 EHEDMO CC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccccn1 ZINC000156848172 1040355626 /nfs/dbraw/zinc/35/56/26/1040355626.db2.gz AVPARCKHMXPQMD-UHFFFAOYSA-N 1 1 334.341 3.854 20 30 EHEDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000490153297 1040357008 /nfs/dbraw/zinc/35/70/08/1040357008.db2.gz SIOGWYXJZQRTCJ-FQEVSTJZSA-N 1 1 346.434 3.661 20 30 EHEDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000490153297 1040357020 /nfs/dbraw/zinc/35/70/20/1040357020.db2.gz SIOGWYXJZQRTCJ-FQEVSTJZSA-N 1 1 346.434 3.661 20 30 EHEDMO C=C(C)[C@@H]([NH2+]Cc1ccc2c(c1)oc(=O)n2C)c1ccc(F)c(F)c1 ZINC000512649702 1040418216 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336.823 3.665 20 30 EHEDMO C[N@H+]1CC[C@H](Nc2snc(Cl)c2C#N)[C@@H]1c1ccc(F)cc1 ZINC000092688589 1040707526 /nfs/dbraw/zinc/70/75/26/1040707526.db2.gz LPTVDSMFYUZHDG-STQMWFEESA-N 1 1 336.823 3.665 20 30 EHEDMO Cc1ccc(-c2nn(C)cc2C[N@H+]2CCc3c(CC#N)cccc3C2)o1 ZINC000600213144 1040828128 /nfs/dbraw/zinc/82/81/28/1040828128.db2.gz QWYKPKSWLWJGEK-UHFFFAOYSA-N 1 1 346.434 3.613 20 30 EHEDMO COc1cc(CCC#N)c(NCCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC001167753689 1040856281 /nfs/dbraw/zinc/85/62/81/1040856281.db2.gz PTXGPUMLQZLXQJ-MRXNPFEDSA-N 1 1 345.487 3.836 20 30 EHEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2(C#N)CCCC2)C1 ZINC000044552790 1041135290 /nfs/dbraw/zinc/13/52/90/1041135290.db2.gz IFXSOODIOUUJDL-KRWDZBQOSA-N 1 1 339.483 3.619 20 30 EHEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000481609051 1041137046 /nfs/dbraw/zinc/13/70/46/1041137046.db2.gz NATRGLJGQIYTBZ-SFHVURJKSA-N 1 1 334.341 3.949 20 30 EHEDMO CCC[N@@H+](CCc1cccc(F)c1)C[C@H](O)c1ccc(C#N)cc1 ZINC000156394602 1041174487 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C=C[C@H](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)c1ccccc1 ZINC001127933315 1127731792 /nfs/dbraw/zinc/73/17/92/1127731792.db2.gz ILCQHEOTNPWUIV-OAQYLSRUSA-N 1 1 348.490 3.999 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](O)COc1cc(C)ccc1Cl ZINC001168579389 1128005162 /nfs/dbraw/zinc/00/51/62/1128005162.db2.gz IUFGSDPQZIVVNU-MRXNPFEDSA-N 1 1 349.858 3.712 20 30 EHEDMO COc1cc(C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)ccc1C#N ZINC000282173255 1128028654 /nfs/dbraw/zinc/02/86/54/1128028654.db2.gz FCQGXHDUEYNTPC-INIZCTEOSA-N 1 1 327.453 3.841 20 30 EHEDMO N#Cc1ccc2nc(N3CC[NH+](Cc4cccc(F)c4)CC3)ccc2c1 ZINC000301977012 1128613916 /nfs/dbraw/zinc/61/39/16/1128613916.db2.gz MXMMDIAHRJMXTB-UHFFFAOYSA-N 1 1 346.409 3.568 20 30 EHEDMO N#Cc1ccc(Cl)cc1NCc1ccccc1C[NH+]1CCOCC1 ZINC000301158404 1128575339 /nfs/dbraw/zinc/57/53/39/1128575339.db2.gz BCMKMXCQBLYENF-UHFFFAOYSA-N 1 1 341.842 3.656 20 30 EHEDMO COc1cccc([C@@H](C)[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000301207681 1128578397 /nfs/dbraw/zinc/57/83/97/1128578397.db2.gz 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EHEDMO C=C(C)COc1cccc(NC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC000499579036 1129040730 /nfs/dbraw/zinc/04/07/30/1129040730.db2.gz LTEKTASJTPTHBY-CVEARBPZSA-N 1 1 331.460 3.588 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCC[N@H+]2CC2(C#N)CCC2)C1 ZINC000497036726 1122252792 /nfs/dbraw/zinc/25/27/92/1122252792.db2.gz IEHCXZQEXXHBID-SJORKVTESA-N 1 1 347.503 3.792 20 30 EHEDMO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)c1cc2ccccc2o1 ZINC000067458241 1122516055 /nfs/dbraw/zinc/51/60/55/1122516055.db2.gz RKMOGOJDMHIXOY-YWZLYKJASA-N 1 1 341.455 3.870 20 30 EHEDMO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2cc(F)c(Cl)cc2Cl)C1=O ZINC000499601261 1129066484 /nfs/dbraw/zinc/06/64/84/1129066484.db2.gz UIGCNWJLWDCFQG-LKFCYVNXSA-N 1 1 331.218 3.570 20 30 EHEDMO C=C(C)CN(C)C(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000497662096 1122624642 /nfs/dbraw/zinc/62/46/42/1122624642.db2.gz YYGHRYLKECLZHG-LJQANCHMSA-N 1 1 343.515 3.677 20 30 EHEDMO Cc1nc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)sc1Br ZINC000922074237 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C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000466039080 1129126319 /nfs/dbraw/zinc/12/63/19/1129126319.db2.gz LEZAJNAUVNRYCG-STQMWFEESA-N 1 1 341.908 3.582 20 30 EHEDMO COCCc1cc[nH+]c(NCc2cc(C#N)ccc2Br)c1 ZINC000922121167 1129127473 /nfs/dbraw/zinc/12/74/73/1129127473.db2.gz OQXGVAYGIOFBAP-UHFFFAOYSA-N 1 1 346.228 3.517 20 30 EHEDMO C=C(C)COCC[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000134509304 1123528958 /nfs/dbraw/zinc/52/89/58/1123528958.db2.gz MCGJVHWEIWTSST-UHFFFAOYSA-N 1 1 332.469 3.713 20 30 EHEDMO C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000609548637 1123612463 /nfs/dbraw/zinc/61/24/63/1123612463.db2.gz RDCJHZWQSPTIJL-SFHVURJKSA-N 1 1 335.407 3.773 20 30 EHEDMO C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000609548637 1123612466 /nfs/dbraw/zinc/61/24/66/1123612466.db2.gz RDCJHZWQSPTIJL-SFHVURJKSA-N 1 1 335.407 3.773 20 30 EHEDMO COCC[N@@H+](C)CCCC1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000499640084 1129136691 /nfs/dbraw/zinc/13/66/91/1129136691.db2.gz 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CC(=NN[C@H](C)c1ccccc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735613732 1131363906 /nfs/dbraw/zinc/36/39/06/1131363906.db2.gz IEVZEIBMOGNSPL-DYESRHJHSA-N 1 1 337.467 3.614 20 30 EHEDMO CC(=NN[C@H](C)c1ccccc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735613732 1131363909 /nfs/dbraw/zinc/36/39/09/1131363909.db2.gz IEVZEIBMOGNSPL-DYESRHJHSA-N 1 1 337.467 3.614 20 30 EHEDMO Cc1c(Cl)cnc(NCc2ccccc2C[N@H+](C)C(C)C)c1C#N ZINC000543208585 1129342865 /nfs/dbraw/zinc/34/28/65/1129342865.db2.gz UWIHOJXAIWBNLJ-UHFFFAOYSA-N 1 1 342.874 3.789 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c(F)c1 ZINC000012328437 1129398760 /nfs/dbraw/zinc/39/87/60/1129398760.db2.gz RGIWBNUDEDXEJQ-KRWDZBQOSA-N 1 1 337.398 3.548 20 30 EHEDMO C=CCOc1cccc(C[NH2+][C@@H](CO)c2cccc(Cl)c2F)c1 ZINC000466393042 1129420766 /nfs/dbraw/zinc/42/07/66/1129420766.db2.gz RJSMEKWWMWMTBL-KRWDZBQOSA-N 1 1 335.806 3.867 20 30 EHEDMO CN(Cc1ccccc1)CC(C)(C)C[NH2+]CCc1cccc(C#N)c1 ZINC000466420723 1129439524 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349.478 3.684 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000768242722 1133120320 /nfs/dbraw/zinc/12/03/20/1133120320.db2.gz BSYRTSGHQMQPIH-NQIIRXRSSA-N 1 1 349.478 3.684 20 30 EHEDMO C#CCCCCC(=O)OC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000773780132 1133206980 /nfs/dbraw/zinc/20/69/80/1133206980.db2.gz NYRRHLVMPHJFQN-WIYYLYMNSA-N 1 1 343.467 3.815 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)cc1 ZINC000769025836 1133215146 /nfs/dbraw/zinc/21/51/46/1133215146.db2.gz ZZPNIKMYBBHOHK-IERDGZPVSA-N 1 1 336.435 3.723 20 30 EHEDMO C#Cc1cccc(C[NH2+]Cc2c(F)ccc(Br)c2F)c1 ZINC001178950817 1133216135 /nfs/dbraw/zinc/21/61/35/1133216135.db2.gz SFZITSSISIIDRN-UHFFFAOYSA-N 1 1 336.179 3.998 20 30 EHEDMO C#CCOc1ccc(C[N@H+](C)[C@@H]2CCCc3nc(C)sc32)cc1 ZINC000769402916 1133276845 /nfs/dbraw/zinc/27/68/45/1133276845.db2.gz AFSQJWCVXCTAMA-GOSISDBHSA-N 1 1 326.465 3.973 20 30 EHEDMO CC[C@@H]1C[N@@H+](CC(C)(C)CCC#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000769485316 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3.947 20 30 EHEDMO CCCC[N@@H+](CC)[C@H](C(=O)Nc1cccc(C#N)n1)c1ccccc1 ZINC001182230569 1133593351 /nfs/dbraw/zinc/59/33/51/1133593351.db2.gz BHFLQGXWPARWII-IBGZPJMESA-N 1 1 336.439 3.755 20 30 EHEDMO N#CC1(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)CCC1 ZINC001182245062 1133599848 /nfs/dbraw/zinc/59/98/48/1133599848.db2.gz QEISUBSUSGWVIW-QGZVFWFLSA-N 1 1 345.874 3.820 20 30 EHEDMO C[NH+]1CCN(N=Cc2ccc(SCc3ccccc3)cc2)CC1 ZINC000771871341 1133604336 /nfs/dbraw/zinc/60/43/36/1133604336.db2.gz BRGJEEWREWZDIO-UHFFFAOYSA-N 1 1 325.481 3.560 20 30 EHEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(N[C@H]3CCC[C@H](C#N)C3)cc2)C1 ZINC000774317574 1133659745 /nfs/dbraw/zinc/65/97/45/1133659745.db2.gz ZEGKKNZUWJTGEQ-AOIWGVFYSA-N 1 1 327.472 3.901 20 30 EHEDMO COc1cc(C[N@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@@H]2C)ccc1C#N ZINC001182452428 1133672833 /nfs/dbraw/zinc/67/28/33/1133672833.db2.gz MPBXJOMHBZDVDE-WMLDXEAASA-N 1 1 344.455 3.509 20 30 EHEDMO C[C@@H](CCNC(=O)/C=C/c1ccccc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000746536578 1133678040 /nfs/dbraw/zinc/67/80/40/1133678040.db2.gz VAAPXSMCDNYALV-HHNLSAEISA-N 1 1 347.462 3.598 20 30 EHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(F)c(Br)c1 ZINC000785996590 1133788744 /nfs/dbraw/zinc/78/87/44/1133788744.db2.gz FMOBJWJEZOFJTE-WFASDCNBSA-N 1 1 328.225 3.662 20 30 EHEDMO C=C[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(F)c(Br)c1 ZINC000785996590 1133788738 /nfs/dbraw/zinc/78/87/38/1133788738.db2.gz FMOBJWJEZOFJTE-WFASDCNBSA-N 1 1 328.225 3.662 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)C2(C)CCCC2)cc1C ZINC000786221553 1133822323 /nfs/dbraw/zinc/82/23/23/1133822323.db2.gz VTAHDFRBUJDNII-UHFFFAOYSA-N 1 1 327.472 3.815 20 30 EHEDMO COc1ccc([C@@H]2[C@H](COC(=O)CC(C)(C)C#N)CCC[N@H+]2C)cc1 ZINC000786419543 1133846751 /nfs/dbraw/zinc/84/67/51/1133846751.db2.gz DUGQNYKKRBFCAX-QFBILLFUSA-N 1 1 344.455 3.561 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1F ZINC000774702829 1133883905 /nfs/dbraw/zinc/88/39/05/1133883905.db2.gz FKTWUIBXEJOIEW-MOPGFXCFSA-N 1 1 342.389 3.925 20 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C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000789449629 1134275758 /nfs/dbraw/zinc/27/57/58/1134275758.db2.gz ICPHANIUJUQQQB-WBTNSWJXSA-N 1 1 348.450 3.590 20 30 EHEDMO C=CC[N@H+](Cc1cccs1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790264782 1134392189 /nfs/dbraw/zinc/39/21/89/1134392189.db2.gz VIOZSEQFQCDVQZ-LJQANCHMSA-N 1 1 340.492 3.927 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790264782 1134392197 /nfs/dbraw/zinc/39/21/97/1134392197.db2.gz VIOZSEQFQCDVQZ-LJQANCHMSA-N 1 1 340.492 3.927 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC001189285221 1134561031 /nfs/dbraw/zinc/56/10/31/1134561031.db2.gz LWMZKCNPKXTASH-QAPCUYQASA-N 1 1 329.488 3.594 20 30 EHEDMO C=C(C)Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001190233027 1134670035 /nfs/dbraw/zinc/67/00/35/1134670035.db2.gz MVPMOTNHNPILEW-ZBYYUNFXSA-N 1 1 346.474 3.665 20 30 EHEDMO CC[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000792265270 1134675121 /nfs/dbraw/zinc/67/51/21/1134675121.db2.gz MPIGTEDRIMJYKY-OALUTQOASA-N 1 1 342.483 3.663 20 30 EHEDMO C=CC[N@H+](CCOC)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000792408104 1134684519 /nfs/dbraw/zinc/68/45/19/1134684519.db2.gz ZKXSBNNDEHYESL-UHFFFAOYSA-N 1 1 329.440 3.859 20 30 EHEDMO C#Cc1ccc(NC(=O)CC[N@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC001190417157 1134696960 /nfs/dbraw/zinc/69/69/60/1134696960.db2.gz HOOSBZFEHZUZNN-UHFFFAOYSA-N 1 1 336.410 3.800 20 30 EHEDMO CCOC(=O)[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)[C@@H](C)CC ZINC001170365037 1134757431 /nfs/dbraw/zinc/75/74/31/1134757431.db2.gz NCZNTUVKECQKHP-WHMCQKABSA-N 1 1 342.483 3.958 20 30 EHEDMO COC(=O)[C@H]1CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)[C@@H]1C ZINC001170389429 1134763120 /nfs/dbraw/zinc/76/31/20/1134763120.db2.gz SGGCTOXSRMNTSD-BZYYEOTJSA-N 1 1 340.467 3.664 20 30 EHEDMO CCC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C1(C)C ZINC001191099148 1134792026 /nfs/dbraw/zinc/79/20/26/1134792026.db2.gz JEKKKOQKTQATHB-QZTJIDSGSA-N 1 1 345.443 3.882 20 30 EHEDMO CCC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C1(C)C ZINC001191099148 1134792031 /nfs/dbraw/zinc/79/20/31/1134792031.db2.gz JEKKKOQKTQATHB-QZTJIDSGSA-N 1 1 345.443 3.882 20 30 EHEDMO CC(C)(C)OC(=O)N1CCCC[C@H](C[N@@H+](CCC#N)CC2CC2)C1 ZINC001191368077 1134858280 /nfs/dbraw/zinc/85/82/80/1134858280.db2.gz XJZVNCDVOBDXNY-QGZVFWFLSA-N 1 1 335.492 3.649 20 30 EHEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)ccc2OC)C1(CC)CC ZINC001191820724 1134929248 /nfs/dbraw/zinc/92/92/48/1134929248.db2.gz HCTGPWOHNGSBAI-OALUTQOASA-N 1 1 330.472 3.982 20 30 EHEDMO C=CCN(C)CC[N@@H+](CC)CCOc1ccc(C(F)(F)F)cc1 ZINC001193914284 1135204030 /nfs/dbraw/zinc/20/40/30/1135204030.db2.gz SBFLATDZHQZOOP-UHFFFAOYSA-N 1 1 330.394 3.524 20 30 EHEDMO C=CC[N@@H+](C)CCN(CC)CCOc1ccc(C(F)(F)F)cc1 ZINC001193914284 1135204035 /nfs/dbraw/zinc/20/40/35/1135204035.db2.gz SBFLATDZHQZOOP-UHFFFAOYSA-N 1 1 330.394 3.524 20 30 EHEDMO C=CC[N@H+](C)CCN(CC)CCOc1ccc(C(F)(F)F)cc1 ZINC001193914284 1135204040 /nfs/dbraw/zinc/20/40/40/1135204040.db2.gz SBFLATDZHQZOOP-UHFFFAOYSA-N 1 1 330.394 3.524 20 30 EHEDMO Cc1cc(C)cc(C[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC001194083070 1135227280 /nfs/dbraw/zinc/22/72/80/1135227280.db2.gz OQLUESPZOUYINF-OAQYLSRUSA-N 1 1 347.462 3.803 20 30 EHEDMO CCCCCCCCOC(=O)N[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001194753309 1135309869 /nfs/dbraw/zinc/30/98/69/1135309869.db2.gz FZTITSDHQBBTCX-GOSISDBHSA-N 1 1 340.508 3.574 20 30 EHEDMO C=CCCCCCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000806004830 1135370911 /nfs/dbraw/zinc/37/09/11/1135370911.db2.gz WUUIRSJPJXVEGA-PKOBYXMFSA-N 1 1 333.520 3.781 20 30 EHEDMO C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001195287705 1135407334 /nfs/dbraw/zinc/40/73/34/1135407334.db2.gz DGLXBIRXRUGFCJ-SFTDATJTSA-N 1 1 338.426 3.828 20 30 EHEDMO C#C[C@@H](CCC)NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000806214513 1135413354 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326.484 3.639 20 30 EHEDMO C#CCOc1cccc([C@@H](C)OC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)c1 ZINC000810576148 1135977414 /nfs/dbraw/zinc/97/74/14/1135977414.db2.gz LTNSLOIZRVRUCO-QRWLVFNGSA-N 1 1 347.430 3.515 20 30 EHEDMO C[C@@H](C(=O)OC1(CC#N)CCC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000810857233 1136018042 /nfs/dbraw/zinc/01/80/42/1136018042.db2.gz NSOXPDJXAIYGSO-KRWDZBQOSA-N 1 1 340.467 3.709 20 30 EHEDMO Cc1c(C)n(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(N)c1C#N ZINC001201469833 1136024239 /nfs/dbraw/zinc/02/42/39/1136024239.db2.gz CFECFJHBCJJREZ-MSOLQXFVSA-N 1 1 332.451 3.837 20 30 EHEDMO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](C[C@@H](C)CCC)CC2 ZINC001201541864 1136034536 /nfs/dbraw/zinc/03/45/36/1136034536.db2.gz HWDKDBOXUJONRB-INIZCTEOSA-N 1 1 331.504 3.790 20 30 EHEDMO CN1CCN(c2cc(Nc3sc4ccccc4c3C#N)cc[nH+]2)CC1 ZINC001201654159 1136051576 /nfs/dbraw/zinc/05/15/76/1136051576.db2.gz IJTIZEMKINKFBB-UHFFFAOYSA-N 1 1 349.463 3.663 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCc2ccc(F)cc2Cl)c1 ZINC000811457441 1136089576 /nfs/dbraw/zinc/08/95/76/1136089576.db2.gz MIDWYPNTQJAIIH-UHFFFAOYSA-N 1 1 344.817 3.573 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCc2ccc(F)cc2Cl)c1 ZINC000811457441 1136089577 /nfs/dbraw/zinc/08/95/77/1136089577.db2.gz MIDWYPNTQJAIIH-UHFFFAOYSA-N 1 1 344.817 3.573 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c(C(F)(F)F)c1 ZINC000811500675 1136100420 /nfs/dbraw/zinc/10/04/20/1136100420.db2.gz KJYOQNCBMGEPKL-OAHLLOKOSA-N 1 1 331.341 3.962 20 30 EHEDMO CN(C)c1cc(Cl)cc(Cl)c1C=[NH+]N[C@H]1CCOC(C)(C)C1 ZINC000811648876 1136117207 /nfs/dbraw/zinc/11/72/07/1136117207.db2.gz STZRWWUYDUINHW-LBPRGKRZSA-N 1 1 344.286 3.941 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC(F)(F)[C@H](C)C2)c1O ZINC000811780553 1136135132 /nfs/dbraw/zinc/13/51/32/1136135132.db2.gz OMZUWLQOAQBIRU-CYBMUJFWSA-N 1 1 325.399 3.997 20 30 EHEDMO N#C[C@@H](OC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000776386978 1136173296 /nfs/dbraw/zinc/17/32/96/1136173296.db2.gz XVHDAOYXXSPSDK-VQTJNVASSA-N 1 1 340.467 3.914 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JTWSHOHUWKHNKT-DLBZAZTESA-N 1 1 335.492 3.649 20 30 EHEDMO Cc1ccc(N2CC[N@@H+](Cc3ccc(OCC#N)cc3)[C@H](C)C2)cc1C ZINC000747967552 1136488484 /nfs/dbraw/zinc/48/84/84/1136488484.db2.gz FXMXJAAXCJKEBF-LJQANCHMSA-N 1 1 349.478 3.917 20 30 EHEDMO C=CCC(F)(F)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000814790672 1136504988 /nfs/dbraw/zinc/50/49/88/1136504988.db2.gz VSXDQSLCWUQUJO-UHFFFAOYSA-N 1 1 344.405 3.695 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000853634497 1136551679 /nfs/dbraw/zinc/55/16/79/1136551679.db2.gz SRGQKRVWDWFAJE-HKUYNNGSSA-N 1 1 335.455 3.737 20 30 EHEDMO C=C(Cl)C[N@@H+]1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815200649 1136565594 /nfs/dbraw/zinc/56/55/94/1136565594.db2.gz OHCQDYQVFWFOHC-CABCVRRESA-N 1 1 328.884 3.850 20 30 EHEDMO C=CCC(F)(F)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000815868939 1136644116 /nfs/dbraw/zinc/64/41/16/1136644116.db2.gz DLHFKRIEPXLZQC-RDJZCZTQSA-N 1 1 336.426 3.615 20 30 EHEDMO 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EHEDMO Cn1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C(C)(C)C)n1 ZINC000538304852 1032285295 /nfs/dbraw/zinc/28/52/95/1032285295.db2.gz LSRWQBIJOGTRSI-OALUTQOASA-N 1 1 336.483 3.989 20 30 EHEDMO Cn1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C(C)(C)C)n1 ZINC000538304852 1032285306 /nfs/dbraw/zinc/28/53/06/1032285306.db2.gz LSRWQBIJOGTRSI-OALUTQOASA-N 1 1 336.483 3.989 20 30 EHEDMO Cn1cc(C[N@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000449448807 1032564711 /nfs/dbraw/zinc/56/47/11/1032564711.db2.gz JHAAUYRFRPNSGJ-XBZUYWNMSA-N 1 1 344.462 3.603 20 30 EHEDMO N#Cc1ccccc1C[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000449436201 1032581314 /nfs/dbraw/zinc/58/13/14/1032581314.db2.gz GRZXBCZLLWFFOD-KRWDZBQOSA-N 1 1 334.341 3.790 20 30 EHEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000592800763 1032585068 /nfs/dbraw/zinc/58/50/68/1032585068.db2.gz NDCAEYNPSSCKHO-FUHWJXTLSA-N 1 1 338.455 3.948 20 30 EHEDMO C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(C(=O)NCC#N)cc2)cc1 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FLWXWRGGAJRSGH-SFHVURJKSA-N 1 1 339.483 3.583 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001167332444 1018221391 /nfs/dbraw/zinc/22/13/91/1018221391.db2.gz MDTVEFVZDMGFHG-GOSISDBHSA-N 1 1 335.407 3.921 20 30 EHEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000123852091 1018524496 /nfs/dbraw/zinc/52/44/96/1018524496.db2.gz HHNRMWDZLWRVJG-SFHVURJKSA-N 1 1 344.499 3.626 20 30 EHEDMO Cc1cc(C)c(C#N)c(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000398008945 1018950558 /nfs/dbraw/zinc/95/05/58/1018950558.db2.gz AJLWLMDYGAXNRM-JXFKEZNVSA-N 1 1 334.467 3.893 20 30 EHEDMO C[C@@H]1C[C@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000398190444 1018987626 /nfs/dbraw/zinc/98/76/26/1018987626.db2.gz ZDRIRECHRYNPSX-KDOFPFPSSA-N 1 1 336.395 3.541 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H](O)C23CCCC3)ccc1OC ZINC000580355928 1019174290 /nfs/dbraw/zinc/17/42/90/1019174290.db2.gz QLNWJWJZMBJFRC-IBGZPJMESA-N 1 1 331.456 3.530 20 30 EHEDMO Fc1ccc(C#CC[N@@H+]2CCCN(c3ccccc3F)CC2)cc1 ZINC000513369333 1019574002 /nfs/dbraw/zinc/57/40/02/1019574002.db2.gz CHXPZKFSSKOBKZ-UHFFFAOYSA-N 1 1 326.390 3.529 20 30 EHEDMO Fc1ccc(C#CC[N@H+]2CCCN(c3ccccc3F)CC2)cc1 ZINC000513369333 1019574015 /nfs/dbraw/zinc/57/40/15/1019574015.db2.gz CHXPZKFSSKOBKZ-UHFFFAOYSA-N 1 1 326.390 3.529 20 30 EHEDMO N#Cc1cnc2c(F)cc(F)cc2c1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433804580 1019650467 /nfs/dbraw/zinc/65/04/67/1019650467.db2.gz IAWSRVUSSPNMHC-HNNXBMFYSA-N 1 1 342.393 3.813 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(F)cc2C#N)cc1)C1CC1 ZINC000433990916 1019854956 /nfs/dbraw/zinc/85/49/56/1019854956.db2.gz AUTJSVININNVPS-UHFFFAOYSA-N 1 1 337.398 3.934 20 30 EHEDMO C[N@@H+](Cc1ccc2nc(NC(=O)CCCCC#N)sc2c1)C1CC1 ZINC000598031039 1032861287 /nfs/dbraw/zinc/86/12/87/1032861287.db2.gz WLFVWHJWDQOVNF-UHFFFAOYSA-N 1 1 342.468 3.913 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC1CCC1 ZINC000077372372 1019920640 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CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@@H](C)CCC#N ZINC000276293543 1020992994 /nfs/dbraw/zinc/99/29/94/1020992994.db2.gz IIOMDRUOYIKOIO-NSHDSACASA-N 1 1 328.243 3.946 20 30 EHEDMO C[C@H](CC1(C#N)CCOCC1)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000602546062 1032956619 /nfs/dbraw/zinc/95/66/19/1032956619.db2.gz OFRIAYGUAVXSRT-QZTJIDSGSA-N 1 1 343.515 3.804 20 30 EHEDMO Cc1cc2cc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)oc2cc1C ZINC000506495721 1021193965 /nfs/dbraw/zinc/19/39/65/1021193965.db2.gz NOASSPAVNAWDTG-UHFFFAOYSA-N 1 1 346.434 3.639 20 30 EHEDMO N#Cc1cnn2cc(C[N@H+]3CCC[C@H]3CCCc3ccccc3)cnc12 ZINC000592501951 1032968607 /nfs/dbraw/zinc/96/86/07/1032968607.db2.gz OIJUGHVGVCDLTF-HXUWFJFHSA-N 1 1 345.450 3.588 20 30 EHEDMO N#Cc1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c(Cl)c1 ZINC000439432588 1021434350 /nfs/dbraw/zinc/43/43/50/1021434350.db2.gz UHVQBWHPYFMZSA-HOTGVXAUSA-N 1 1 336.888 3.698 20 30 EHEDMO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1cc(C#N)ccc1F)C2 ZINC000439474717 1021466425 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EHEDMO N#Cc1ncccc1N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000519042110 1021797705 /nfs/dbraw/zinc/79/77/05/1021797705.db2.gz XBRDOFHOCHZNOO-HNNXBMFYSA-N 1 1 346.356 3.658 20 30 EHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000140759034 1022132772 /nfs/dbraw/zinc/13/27/72/1022132772.db2.gz ACECUHADBQWSFH-INIZCTEOSA-N 1 1 325.437 3.785 20 30 EHEDMO N#CC1(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CCCC1 ZINC000048419019 1022325930 /nfs/dbraw/zinc/32/59/30/1022325930.db2.gz OBLRHSAIAWOKQT-UHFFFAOYSA-N 1 1 347.462 3.641 20 30 EHEDMO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)s1 ZINC000341576208 1022361347 /nfs/dbraw/zinc/36/13/47/1022361347.db2.gz OYYHWTCUXSKQPN-NLGTXKQRSA-N 1 1 347.528 3.808 20 30 EHEDMO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)s1 ZINC000341576208 1022361362 /nfs/dbraw/zinc/36/13/62/1022361362.db2.gz OYYHWTCUXSKQPN-NLGTXKQRSA-N 1 1 347.528 3.808 20 30 EHEDMO CC(C)[N@H+](CCC#N)Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000891696223 1022371596 /nfs/dbraw/zinc/37/15/96/1022371596.db2.gz MHWXCYDUCQMRNZ-UHFFFAOYSA-N 1 1 331.460 3.835 20 30 EHEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000891696223 1022371613 /nfs/dbraw/zinc/37/16/13/1022371613.db2.gz MHWXCYDUCQMRNZ-UHFFFAOYSA-N 1 1 331.460 3.835 20 30 EHEDMO CCC[N@H+](Cc1cccc(C#N)n1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000602638739 1033049802 /nfs/dbraw/zinc/04/98/02/1033049802.db2.gz HIPWUXWJOVXREE-INIZCTEOSA-N 1 1 336.439 3.501 20 30 EHEDMO CCC[N@@H+](Cc1cccc(C#N)n1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000602638739 1033049804 /nfs/dbraw/zinc/04/98/04/1033049804.db2.gz HIPWUXWJOVXREE-INIZCTEOSA-N 1 1 336.439 3.501 20 30 EHEDMO Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]2CCCc3sccc32)CC1 ZINC000328713809 1022474098 /nfs/dbraw/zinc/47/40/98/1022474098.db2.gz CUEISSXRHWEWQC-HNNXBMFYSA-N 1 1 344.484 3.527 20 30 EHEDMO CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@H](C)c1ccc(F)cc1 ZINC000517628052 1022498986 /nfs/dbraw/zinc/49/89/86/1022498986.db2.gz RVDLTFWZWUVJTA-MRXNPFEDSA-N 1 1 345.462 3.893 20 30 EHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)C1 ZINC000328853947 1022517015 /nfs/dbraw/zinc/51/70/15/1022517015.db2.gz SRHOYIHZDDZYHH-UKPHBRMFSA-N 1 1 340.402 3.747 20 30 EHEDMO C[C@@H](CCC#N)C[N@@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000602662475 1033060236 /nfs/dbraw/zinc/06/02/36/1033060236.db2.gz GNVLFENRJRSIQX-XJKSGUPXSA-N 1 1 342.361 3.898 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000602662475 1033060252 /nfs/dbraw/zinc/06/02/52/1033060252.db2.gz GNVLFENRJRSIQX-XJKSGUPXSA-N 1 1 342.361 3.898 20 30 EHEDMO Cc1ccc(C[C@@H](C)[N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000303767205 1022526486 /nfs/dbraw/zinc/52/64/86/1022526486.db2.gz PZKNGSZGLWUUQO-LJQANCHMSA-N 1 1 349.478 3.805 20 30 EHEDMO CCC1(CC)CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000438503769 1022716857 /nfs/dbraw/zinc/71/68/57/1022716857.db2.gz SQFJLPNETQJHHN-ZDUSSCGKSA-N 1 1 345.512 3.948 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C/C=C\c3ccc(F)cc3)CC2)cc1 ZINC000506263748 1022750639 /nfs/dbraw/zinc/75/06/39/1022750639.db2.gz YEHAIHYLTJYIFM-IWQZZHSRSA-N 1 1 349.453 3.918 20 30 EHEDMO N#Cc1ccc(CN2CCC[N@@H+](C/C=C\c3ccc(F)cc3)CC2)cc1 ZINC000506263748 1022750655 /nfs/dbraw/zinc/75/06/55/1022750655.db2.gz YEHAIHYLTJYIFM-IWQZZHSRSA-N 1 1 349.453 3.918 20 30 EHEDMO N#Cc1ccc(CN2CCC[N@H+](C/C=C\c3ccc(F)cc3)CC2)cc1 ZINC000506263748 1022750665 /nfs/dbraw/zinc/75/06/65/1022750665.db2.gz YEHAIHYLTJYIFM-IWQZZHSRSA-N 1 1 349.453 3.918 20 30 EHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000331172835 1022761026 /nfs/dbraw/zinc/76/10/26/1022761026.db2.gz ZVUPQFGFELCQPR-DOMZBBRYSA-N 1 1 334.851 3.562 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000237487059 1033093858 /nfs/dbraw/zinc/09/38/58/1033093858.db2.gz UBIQPGSINNDTCA-SFHVURJKSA-N 1 1 349.478 3.515 20 30 EHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2nc3c(cc2C#N)CCC3)C1 ZINC000506995411 1023068672 /nfs/dbraw/zinc/06/86/72/1023068672.db2.gz RZLGQELSHPPEOZ-HNAYVOBHSA-N 1 1 332.451 3.689 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000426842702 1023076537 /nfs/dbraw/zinc/07/65/37/1023076537.db2.gz ISCSXEHOIFNUQL-CQSZACIVSA-N 1 1 327.378 3.720 20 30 EHEDMO C=CCCC(=O)Nc1c(C)cnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000129957872 1023117112 /nfs/dbraw/zinc/11/71/12/1023117112.db2.gz SWILMMVJFVZVPE-SFHVURJKSA-N 1 1 338.455 3.543 20 30 EHEDMO CCCCCNC(=O)C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000134985439 1033152121 /nfs/dbraw/zinc/15/21/21/1033152121.db2.gz SSUONRDYUWPVQQ-UHFFFAOYSA-N 1 1 346.902 3.710 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761043267 1033158142 /nfs/dbraw/zinc/15/81/42/1033158142.db2.gz CKSOWWUHKKGAST-QWHCGFSZSA-N 1 1 346.418 3.535 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761043267 1033158152 /nfs/dbraw/zinc/15/81/52/1033158152.db2.gz CKSOWWUHKKGAST-QWHCGFSZSA-N 1 1 346.418 3.535 20 30 EHEDMO C[C@@H]1C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC(=O)N1 ZINC000329659643 1023993283 /nfs/dbraw/zinc/99/32/83/1023993283.db2.gz HWUVXIUWYIKVJJ-FHIRATQRSA-N 1 1 349.500 3.843 20 30 EHEDMO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(C(F)(F)F)c1 ZINC000895228319 1024001461 /nfs/dbraw/zinc/00/14/61/1024001461.db2.gz KLWFBXLZCHRWSJ-LBPRGKRZSA-N 1 1 340.345 3.618 20 30 EHEDMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(C(F)(F)F)c1 ZINC000895228319 1024001477 /nfs/dbraw/zinc/00/14/77/1024001477.db2.gz KLWFBXLZCHRWSJ-LBPRGKRZSA-N 1 1 340.345 3.618 20 30 EHEDMO CN(C(=O)[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1)c1ccccc1 ZINC000280688190 1024159424 /nfs/dbraw/zinc/15/94/24/1024159424.db2.gz GDYTUWQIKPTCFQ-QGZVFWFLSA-N 1 1 327.472 3.691 20 30 EHEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@H]3CCC[C@H]32)sc2c1CCCC2 ZINC000614600629 1024171266 /nfs/dbraw/zinc/17/12/66/1024171266.db2.gz ZYNAKSYSKYJBOP-CZUORRHYSA-N 1 1 343.496 3.702 20 30 EHEDMO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(Oc3ccccn3)CC2)[C@@H]1C ZINC000329922732 1024251812 /nfs/dbraw/zinc/25/18/12/1024251812.db2.gz UBACFUDEYFFJGF-NUJGCVRESA-N 1 1 345.487 3.706 20 30 EHEDMO COc1cccc2c1nc(NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)n2C ZINC000329995522 1024278080 /nfs/dbraw/zinc/27/80/80/1024278080.db2.gz NHOMGFKQOGASSQ-OAHLLOKOSA-N 1 1 342.443 3.577 20 30 EHEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC000330030316 1024296940 /nfs/dbraw/zinc/29/69/40/1024296940.db2.gz RKMRKGDQFRMQKN-WWXIPJKBSA-N 1 1 349.519 3.989 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C(F)F)cc2)c1 ZINC000183927426 1024347885 /nfs/dbraw/zinc/34/78/85/1024347885.db2.gz KHCAGCIKGADFCN-UHFFFAOYSA-N 1 1 328.362 3.676 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C(F)F)cc2)c1 ZINC000183927426 1024347902 /nfs/dbraw/zinc/34/79/02/1024347902.db2.gz KHCAGCIKGADFCN-UHFFFAOYSA-N 1 1 328.362 3.676 20 30 EHEDMO O=C(N[C@H]1CCCC[C@@H]1O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000330264155 1024377648 /nfs/dbraw/zinc/37/76/48/1024377648.db2.gz XOFIFCKBZCJDCL-NJAFHUGGSA-N 1 1 345.487 3.753 20 30 EHEDMO Cn1c2ccccc2nc1[C@H]([NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000602818959 1033206541 /nfs/dbraw/zinc/20/65/41/1033206541.db2.gz OVRUTDJPZWJSKL-LJQANCHMSA-N 1 1 330.435 3.946 20 30 EHEDMO Cc1oc(NC(=O)C[N@H+](Cc2ccccc2C)C2CC2)c(C#N)c1C ZINC000434828761 1024439728 /nfs/dbraw/zinc/43/97/28/1024439728.db2.gz VKYMZOABBDLBFA-UHFFFAOYSA-N 1 1 337.423 3.680 20 30 EHEDMO Cc1oc(NC(=O)C[N@@H+](Cc2ccccc2C)C2CC2)c(C#N)c1C ZINC000434828761 1024439734 /nfs/dbraw/zinc/43/97/34/1024439734.db2.gz VKYMZOABBDLBFA-UHFFFAOYSA-N 1 1 337.423 3.680 20 30 EHEDMO C=CCOc1ccc(C[N@H+](CC(=O)N[C@@H](C)CC)C(C)(C)C)cc1 ZINC000474160888 1024473066 /nfs/dbraw/zinc/47/30/66/1024473066.db2.gz WYWPSZWYXSSKLD-INIZCTEOSA-N 1 1 332.488 3.767 20 30 EHEDMO C=CCC(C)(C)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000292382082 1024478539 /nfs/dbraw/zinc/47/85/39/1024478539.db2.gz WODNJKXHPQCHGH-UHFFFAOYSA-N 1 1 336.426 3.648 20 30 EHEDMO N#Cc1ccccc1-c1ccc(C[NH+]2CCN(CC(F)F)CC2)cc1 ZINC000060906856 1033213945 /nfs/dbraw/zinc/21/39/45/1033213945.db2.gz NLJMMNPRMZIISJ-UHFFFAOYSA-N 1 1 341.405 3.608 20 30 EHEDMO N#CC1(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CCC1 ZINC000346069641 1024501671 /nfs/dbraw/zinc/50/16/71/1024501671.db2.gz LZOXWDNXMSVYTD-QGZVFWFLSA-N 1 1 345.874 3.505 20 30 EHEDMO N#CC1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CCC1 ZINC000346069641 1024501683 /nfs/dbraw/zinc/50/16/83/1024501683.db2.gz LZOXWDNXMSVYTD-QGZVFWFLSA-N 1 1 345.874 3.505 20 30 EHEDMO CCOCc1cc(C[N@H+](C)Cc2cc(C#N)ccc2F)ccc1OC ZINC000434980046 1024535832 /nfs/dbraw/zinc/53/58/32/1024535832.db2.gz ABXXSVAROQKHME-UHFFFAOYSA-N 1 1 342.414 3.874 20 30 EHEDMO CCOCc1cc(C[N@@H+](C)Cc2cc(C#N)ccc2F)ccc1OC ZINC000434980046 1024535836 /nfs/dbraw/zinc/53/58/36/1024535836.db2.gz ABXXSVAROQKHME-UHFFFAOYSA-N 1 1 342.414 3.874 20 30 EHEDMO CC(C)Oc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1 ZINC000434980888 1024538284 /nfs/dbraw/zinc/53/82/84/1024538284.db2.gz HKKUSMMWGJUQSD-JOCHJYFZSA-N 1 1 349.478 3.856 20 30 EHEDMO CC[NH+](CC)[C@@H](CNCc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000327758845 1024558442 /nfs/dbraw/zinc/55/84/42/1024558442.db2.gz IEPFKSPIUSMIDW-FQEVSTJZSA-N 1 1 337.467 3.740 20 30 EHEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000330308433 1024601379 /nfs/dbraw/zinc/60/13/79/1024601379.db2.gz STPMMQHGNWRNAW-INIZCTEOSA-N 1 1 329.444 3.666 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2snc(C)c2C#N)cc1)C(C)C ZINC000281090290 1024621348 /nfs/dbraw/zinc/62/13/48/1024621348.db2.gz DVFBPNUTAAYNLS-UHFFFAOYSA-N 1 1 342.468 3.806 20 30 EHEDMO CCOC(=O)c1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)[nH]c1C ZINC000425368636 1024881997 /nfs/dbraw/zinc/88/19/97/1024881997.db2.gz XHTSCYQGAFMQHU-CQSZACIVSA-N 1 1 325.412 3.565 20 30 EHEDMO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000895835352 1024900293 /nfs/dbraw/zinc/90/02/93/1024900293.db2.gz BSHUIXZVHDHCIZ-LBPRGKRZSA-N 1 1 345.258 3.591 20 30 EHEDMO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000895835352 1024900299 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C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCCC[C@H]2CC)c(OC)c1 ZINC000523555670 1028422623 /nfs/dbraw/zinc/42/26/23/1028422623.db2.gz UCLWCLQXTKWGML-RTBURBONSA-N 1 1 347.499 3.818 20 30 EHEDMO C=CC[C@@H]1N(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CCCC1(C)C ZINC000445211597 1028621103 /nfs/dbraw/zinc/62/11/03/1028621103.db2.gz KQFKURFLGYNULF-MSOLQXFVSA-N 1 1 335.536 3.741 20 30 EHEDMO C=CCCCN(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000074538987 1028622398 /nfs/dbraw/zinc/62/23/98/1028622398.db2.gz MKLKJFFLAKYXQI-NVXWUHKLSA-N 1 1 335.517 3.739 20 30 EHEDMO COc1ccccc1C[N@@H+](Cc1cc(C#N)cs1)C[C@@H]1CCCO1 ZINC000091772145 1028722547 /nfs/dbraw/zinc/72/25/47/1028722547.db2.gz ATKFTWMGJWGKOY-KRWDZBQOSA-N 1 1 342.464 3.810 20 30 EHEDMO COc1ccccc1C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CCCO1 ZINC000091772145 1028722569 /nfs/dbraw/zinc/72/25/69/1028722569.db2.gz ATKFTWMGJWGKOY-KRWDZBQOSA-N 1 1 342.464 3.810 20 30 EHEDMO C=C(C)[C@@H](CC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)OCC ZINC000535928715 1028799908 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EHEDMO C=CCCCN(C)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272330247 1029810259 /nfs/dbraw/zinc/81/02/59/1029810259.db2.gz MLYORPXRSMLATL-HKUYNNGSSA-N 1 1 329.488 3.505 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](C)CC2(O)CCCCCC2)cc1OC ZINC000428467307 1029912107 /nfs/dbraw/zinc/91/21/07/1029912107.db2.gz XXVMOBNOBCVQNP-UHFFFAOYSA-N 1 1 333.472 3.777 20 30 EHEDMO C=CC[N@H+](CCC1CCCC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000525641160 1029990406 /nfs/dbraw/zinc/99/04/06/1029990406.db2.gz XRBXSPJIXKPGNS-INIZCTEOSA-N 1 1 325.460 3.792 20 30 EHEDMO C=CCCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000476534133 1030018851 /nfs/dbraw/zinc/01/88/51/1030018851.db2.gz MLTYCEKYECOAPU-SJORKVTESA-N 1 1 332.875 3.948 20 30 EHEDMO C=CCCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000476534133 1030018867 /nfs/dbraw/zinc/01/88/67/1030018867.db2.gz MLTYCEKYECOAPU-SJORKVTESA-N 1 1 332.875 3.948 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@@H+](Cc2ccco2)C2CCCC2)cc1 ZINC000138780204 1030145648 /nfs/dbraw/zinc/14/56/48/1030145648.db2.gz DWCBRKMRHGXTOI-UHFFFAOYSA-N 1 1 337.423 3.925 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[NH+]1CC(C)C1 ZINC000567912711 1030303603 /nfs/dbraw/zinc/30/36/03/1030303603.db2.gz OBGZUAOZYPXFCU-HNNXBMFYSA-N 1 1 335.407 3.629 20 30 EHEDMO CC[C@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)c1nnc2n1CCCCC2 ZINC000329290646 1030304172 /nfs/dbraw/zinc/30/41/72/1030304172.db2.gz QNXJRXHKUIALQF-CVEARBPZSA-N 1 1 347.507 3.677 20 30 EHEDMO CC[N@@H+]1CCO[C@H](CNc2cccc(F)c2C#N)[C@H]1c1ccccc1 ZINC000343331193 1030324761 /nfs/dbraw/zinc/32/47/61/1030324761.db2.gz CDCYQRWGABNTOR-WOJBJXKFSA-N 1 1 339.414 3.571 20 30 EHEDMO CC[N@H+]1CCO[C@H](CNc2cccc(F)c2C#N)[C@H]1c1ccccc1 ZINC000343331193 1030324777 /nfs/dbraw/zinc/32/47/77/1030324777.db2.gz CDCYQRWGABNTOR-WOJBJXKFSA-N 1 1 339.414 3.571 20 30 EHEDMO C#Cc1cccc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000246140480 1030379113 /nfs/dbraw/zinc/37/91/13/1030379113.db2.gz KLCYEBZIJHUTQM-PKOBYXMFSA-N 1 1 339.483 3.786 20 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/nfs/dbraw/zinc/57/03/30/1030570330.db2.gz XRSHPVXFKAASOM-HUYLIWGRSA-N 1 1 337.467 3.564 20 30 EHEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000160196773 1030588816 /nfs/dbraw/zinc/58/88/16/1030588816.db2.gz ZZPQLUBQBVHGSC-OAHLLOKOSA-N 1 1 328.437 3.507 20 30 EHEDMO C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000160221029 1030602310 /nfs/dbraw/zinc/60/23/10/1030602310.db2.gz HMKBFEWMQDYINA-CZUORRHYSA-N 1 1 345.874 3.594 20 30 EHEDMO CC(C)(O)C[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccccc1 ZINC000343390822 1030658603 /nfs/dbraw/zinc/65/86/03/1030658603.db2.gz SSMCYTIOEBGLAW-UHFFFAOYSA-N 1 1 333.435 3.584 20 30 EHEDMO COc1cc(N[C@@H]2CCC[N@@H+](CC(C)(C)CCC#N)C2)cc(OC)c1 ZINC000093764063 1030668099 /nfs/dbraw/zinc/66/80/99/1030668099.db2.gz NJGQPJFFRFZGBJ-MRXNPFEDSA-N 1 1 345.487 3.910 20 30 EHEDMO C=CCCCNC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000448045111 1030690085 /nfs/dbraw/zinc/69/00/85/1030690085.db2.gz ZRXLGPOXJFUPDC-IEBWSBKVSA-N 1 1 329.488 3.553 20 30 EHEDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CCC(C)(C)C#N)C2)cc1 ZINC000157913974 1030952211 /nfs/dbraw/zinc/95/22/11/1030952211.db2.gz BGFHZQMNINPUEL-KRWDZBQOSA-N 1 1 342.487 3.768 20 30 EHEDMO Cc1ccnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C#N ZINC000343518201 1031213699 /nfs/dbraw/zinc/21/36/99/1031213699.db2.gz YMBYJDXHSCJSGG-HKUYNNGSSA-N 1 1 334.467 3.751 20 30 EHEDMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)c1ccc(F)cc1F ZINC000161020039 1031235689 /nfs/dbraw/zinc/23/56/89/1031235689.db2.gz JQMRPMDDPONWIY-PXAZEXFGSA-N 1 1 343.377 3.904 20 30 EHEDMO C=C(C)CN(CC)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000483678048 1031277332 /nfs/dbraw/zinc/27/73/32/1031277332.db2.gz CHBWJKWLKBKHLI-IBGZPJMESA-N 1 1 329.488 3.505 20 30 EHEDMO C[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)C[C@@H](c2ccccc2)O1 ZINC000477153060 1031292492 /nfs/dbraw/zinc/29/24/92/1031292492.db2.gz SUVSRADOURSRMA-UWJYYQICSA-N 1 1 336.435 3.789 20 30 EHEDMO C[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)C[C@@H](c2ccccc2)O1 ZINC000477153060 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C[C@@H]1C[C@@H]1[N@H+]1CCN(c2cc(C#N)ccc2C(F)(F)F)C[C@@H](C)C1 ZINC000488754467 1039373804 /nfs/dbraw/zinc/37/38/04/1039373804.db2.gz PSHBTZMQXCBRPJ-ZENOOKHLSA-N 1 1 337.389 3.744 20 30 EHEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000554487700 1039396092 /nfs/dbraw/zinc/39/60/92/1039396092.db2.gz BASCICLJWJELSH-SFHVURJKSA-N 1 1 337.398 3.938 20 30 EHEDMO N#Cc1c(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)cn2ccccc12 ZINC000728919229 1039403045 /nfs/dbraw/zinc/40/30/45/1039403045.db2.gz WKEMPYHXONTQEZ-VXKWHMMOSA-N 1 1 345.446 3.899 20 30 EHEDMO C=CCCCCC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000150893305 1039445001 /nfs/dbraw/zinc/44/50/01/1039445001.db2.gz SMFYWAARWHQRFU-UHFFFAOYSA-N 1 1 330.388 3.823 20 30 EHEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC[C@H](C#N)CCC#N)C1 ZINC000554552375 1039453524 /nfs/dbraw/zinc/45/35/24/1039453524.db2.gz WBAHSVKZKZSJOL-OTWHNJEPSA-N 1 1 338.499 3.698 20 30 EHEDMO N#CCCC[C@@H]([NH2+]Cc1cn(-c2ccccc2F)nn1)c1ccccc1 ZINC000906303525 1039459466 /nfs/dbraw/zinc/45/94/66/1039459466.db2.gz HVTTWTUSGYUBMC-LJQANCHMSA-N 1 1 349.413 3.931 20 30 EHEDMO C=CCC[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C)c1ccccc1 ZINC000893767449 1039704495 /nfs/dbraw/zinc/70/44/95/1039704495.db2.gz IAMSPTJHJXXGLZ-IPMKNSEASA-N 1 1 327.472 3.572 20 30 EHEDMO CC(C)(CNC(=O)Nc1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000043329360 1039756284 /nfs/dbraw/zinc/75/62/84/1039756284.db2.gz WYNXEIXNQNBTTP-UHFFFAOYSA-N 1 1 348.450 3.517 20 30 EHEDMO CC(C)[N@@H+](CCC#N)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000893960670 1039862698 /nfs/dbraw/zinc/86/26/98/1039862698.db2.gz ZBQGRTGIIOZAEX-ALOPSCKCSA-N 1 1 335.492 3.789 20 30 EHEDMO CCC[N@@H+](C)[C@@H](CNc1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000553241732 1039908506 /nfs/dbraw/zinc/90/85/06/1039908506.db2.gz PYUUHAOLYKPNSH-KRWDZBQOSA-N 1 1 328.847 3.524 20 30 EHEDMO CCC[N@@H+](C)[C@H](CNc1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000553241733 1039908809 /nfs/dbraw/zinc/90/88/09/1039908809.db2.gz PYUUHAOLYKPNSH-QGZVFWFLSA-N 1 1 328.847 3.524 20 30 EHEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000489497714 1040026680 /nfs/dbraw/zinc/02/66/80/1040026680.db2.gz OYXXIVSNZSKPIC-NVXWUHKLSA-N 1 1 326.440 3.993 20 30 EHEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000489497714 1040026695 /nfs/dbraw/zinc/02/66/95/1040026695.db2.gz OYXXIVSNZSKPIC-NVXWUHKLSA-N 1 1 326.440 3.993 20 30 EHEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000480797529 1040028615 /nfs/dbraw/zinc/02/86/15/1040028615.db2.gz UOMPXGBBXWMWGP-GOEBONIOSA-N 1 1 347.890 3.728 20 30 EHEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000480797529 1040028633 /nfs/dbraw/zinc/02/86/33/1040028633.db2.gz UOMPXGBBXWMWGP-GOEBONIOSA-N 1 1 347.890 3.728 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C)c2C)c(C#N)c1C ZINC000428727678 1040110304 /nfs/dbraw/zinc/11/03/04/1040110304.db2.gz CMHUDBDFCDECAR-OAHLLOKOSA-N 1 1 339.439 3.844 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C)c2C)c(C#N)c1C ZINC000428727678 1040110315 /nfs/dbraw/zinc/11/03/15/1040110315.db2.gz CMHUDBDFCDECAR-OAHLLOKOSA-N 1 1 339.439 3.844 20 30 EHEDMO C[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]1c1ccccc1 ZINC000490055357 1040326943 /nfs/dbraw/zinc/32/69/43/1040326943.db2.gz BTHLSTUCPLNUFM-MAODMQOUSA-N 1 1 345.446 3.747 20 30 EHEDMO C[C@@H](NC[C@@H](Cc1ccccc1)[NH+](C)C)c1ccc(C#N)cc1F ZINC000512666059 1040459113 /nfs/dbraw/zinc/45/91/13/1040459113.db2.gz IJYLCDONCAFVSB-CRAIPNDOSA-N 1 1 325.431 3.521 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C)C3(CCC3)C2)c(C#N)c1C ZINC000408091999 1040505602 /nfs/dbraw/zinc/50/56/02/1040505602.db2.gz WRESRCSIKHHGHX-GXTWGEPZSA-N 1 1 329.444 3.607 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C)C3(CCC3)C2)c(C#N)c1C ZINC000408091999 1040505625 /nfs/dbraw/zinc/50/56/25/1040505625.db2.gz WRESRCSIKHHGHX-GXTWGEPZSA-N 1 1 329.444 3.607 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433065602 1040622123 /nfs/dbraw/zinc/62/21/23/1040622123.db2.gz FQFTVBUYLAFOGL-VQIMIIECSA-N 1 1 333.435 3.765 20 30 EHEDMO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000343862431 1040785384 /nfs/dbraw/zinc/78/53/84/1040785384.db2.gz KOVTTYCOXLXMTL-ZDUSSCGKSA-N 1 1 342.409 3.948 20 30 EHEDMO N#C[C@@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000487266853 1040861177 /nfs/dbraw/zinc/86/11/77/1040861177.db2.gz JVMOXFUWHPMMJZ-CRAIPNDOSA-N 1 1 345.874 3.675 20 30 EHEDMO N#Cc1ccc2ncc(C[NH2+]C3(c4c(F)cccc4F)CCC3)n2c1 ZINC000600218797 1040862066 /nfs/dbraw/zinc/86/20/66/1040862066.db2.gz SPZUILYSJZSNEV-UHFFFAOYSA-N 1 1 338.361 3.653 20 30 EHEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)Nc1ccccc1OCC ZINC000411485177 1040900610 /nfs/dbraw/zinc/90/06/10/1040900610.db2.gz IEBXWEOZRNLJKQ-MRXNPFEDSA-N 1 1 342.439 3.736 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)Nc1ccccc1OCC ZINC000411485177 1040900630 /nfs/dbraw/zinc/90/06/30/1040900630.db2.gz IEBXWEOZRNLJKQ-MRXNPFEDSA-N 1 1 342.439 3.736 20 30 EHEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000411491583 1040906419 /nfs/dbraw/zinc/90/64/19/1040906419.db2.gz VNNQXPYVUMATRW-CQSZACIVSA-N 1 1 332.831 3.991 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000411491583 1040906435 /nfs/dbraw/zinc/90/64/35/1040906435.db2.gz VNNQXPYVUMATRW-CQSZACIVSA-N 1 1 332.831 3.991 20 30 EHEDMO CC(C)[N@H+]1CC[C@H](CNc2cc(Br)c(C#N)cc2F)C1 ZINC000312707129 1040907034 /nfs/dbraw/zinc/90/70/34/1040907034.db2.gz FGAGQGDCPUWBEP-LLVKDONJSA-N 1 1 340.240 3.602 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)C/C(C)=C/c2ccccc2COC)n1 ZINC000491127905 1040939543 /nfs/dbraw/zinc/93/95/43/1040939543.db2.gz YDPVBOFVKKFXCI-NBVRZTHBSA-N 1 1 337.467 3.588 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)C/C(C)=C/c2ccccc2COC)n1 ZINC000491127905 1040939559 /nfs/dbraw/zinc/93/95/59/1040939559.db2.gz YDPVBOFVKKFXCI-NBVRZTHBSA-N 1 1 337.467 3.588 20 30 EHEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2(C#N)CCCC2)C1 ZINC000044552789 1041134864 /nfs/dbraw/zinc/13/48/64/1041134864.db2.gz IFXSOODIOUUJDL-QGZVFWFLSA-N 1 1 339.483 3.619 20 30 EHEDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000571128177 1041196627 /nfs/dbraw/zinc/19/66/27/1041196627.db2.gz MDXRBFMBISYOMC-HNNXBMFYSA-N 1 1 330.476 3.730 20 30 EHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(C)cc(OC)c1O ZINC000164221037 1041221852 /nfs/dbraw/zinc/22/18/52/1041221852.db2.gz OMLFEOKVYHTDEP-UHFFFAOYSA-N 1 1 342.395 3.806 20 30 EHEDMO C[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000571253427 1041242939 /nfs/dbraw/zinc/24/29/39/1041242939.db2.gz ZEQDZCYUTGXRLZ-HIFRSBDPSA-N 1 1 328.416 3.531 20 30 EHEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433296897 1041250990 /nfs/dbraw/zinc/25/09/90/1041250990.db2.gz UNWAUKYCRKAMJQ-RDJZCZTQSA-N 1 1 338.289 3.641 20 30 EHEDMO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+](C)CC(C)(C)C#N ZINC000433306285 1041263637 /nfs/dbraw/zinc/26/36/37/1041263637.db2.gz RTBTWJLZYVDFKC-KRWDZBQOSA-N 1 1 332.488 3.514 20 30 EHEDMO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+](C)CC(C)(C)C#N ZINC000433306285 1041263651 /nfs/dbraw/zinc/26/36/51/1041263651.db2.gz RTBTWJLZYVDFKC-KRWDZBQOSA-N 1 1 332.488 3.514 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc2ccccc2n(C)c1=O ZINC000555879567 1041287484 /nfs/dbraw/zinc/28/74/84/1041287484.db2.gz CERHKHWUBNWUCY-UHFFFAOYSA-N 1 1 345.446 3.822 20 30 EHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccccc2[nH]c1=O ZINC000110107864 1041500852 /nfs/dbraw/zinc/50/08/52/1041500852.db2.gz LFMSOXZYGWQQEV-UHFFFAOYSA-N 1 1 334.419 3.725 20 30 EHEDMO COc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)c1 ZINC000111304959 1041551834 /nfs/dbraw/zinc/55/18/34/1041551834.db2.gz ZHVFSMBKXLZPJJ-UHFFFAOYSA-N 1 1 339.414 3.782 20 30 EHEDMO Fc1ccc(C#CC[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1 ZINC000511759054 1041568055 /nfs/dbraw/zinc/56/80/55/1041568055.db2.gz SPDMNUQMWMMHIR-FSSWDIPSSA-N 1 1 335.422 3.682 20 30 EHEDMO C=C(C)C[N@H+](CCSc1cccc(OC)c1)Cc1ccc(CO)o1 ZINC000660536894 1041644024 /nfs/dbraw/zinc/64/40/24/1041644024.db2.gz JAVUAPJUQFRFCJ-UHFFFAOYSA-N 1 1 347.480 3.951 20 30 EHEDMO C=CC1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000111482410 1041657307 /nfs/dbraw/zinc/65/73/07/1041657307.db2.gz ZTGXMIWDOJVNEM-KRWDZBQOSA-N 1 1 347.528 3.568 20 30 EHEDMO C[NH+]1CCN(c2ccc(NCc3cc(C#N)cs3)cc2Cl)CC1 ZINC000124771526 1041734602 /nfs/dbraw/zinc/73/46/02/1041734602.db2.gz MVJJRLNRMAFBKM-UHFFFAOYSA-N 1 1 346.887 3.637 20 30 EHEDMO C=CCCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000661094195 1041939878 /nfs/dbraw/zinc/93/98/78/1041939878.db2.gz RACVAPXOVYICNY-LJQANCHMSA-N 1 1 341.499 3.554 20 30 EHEDMO C=C(C)CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000661263477 1042031960 /nfs/dbraw/zinc/03/19/60/1042031960.db2.gz KARWNFPTDCJKLM-IBGZPJMESA-N 1 1 341.499 3.554 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000613792695 1042131149 /nfs/dbraw/zinc/13/11/49/1042131149.db2.gz GRPDDALZDUSBHK-AWEZNQCLSA-N 1 1 340.389 3.726 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000613792695 1042131154 /nfs/dbraw/zinc/13/11/54/1042131154.db2.gz GRPDDALZDUSBHK-AWEZNQCLSA-N 1 1 340.389 3.726 20 30 EHEDMO C[C@@H](C1CC1)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000024673023 1042218953 /nfs/dbraw/zinc/21/89/53/1042218953.db2.gz PJLOXCHXUYJQQX-INIZCTEOSA-N 1 1 333.435 3.797 20 30 EHEDMO Cc1ccc([C@H]2CCCC[N@H+]2C[C@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599299978 1042528664 /nfs/dbraw/zinc/52/86/64/1042528664.db2.gz QTYDHBGUHDJGER-WOJBJXKFSA-N 1 1 342.483 3.593 20 30 EHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC[N@H+](CC)CCC ZINC000473170512 1042636623 /nfs/dbraw/zinc/63/66/23/1042636623.db2.gz LSYAZBCDTJWPFD-UHFFFAOYSA-N 1 1 343.924 3.831 20 30 EHEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)cc1 ZINC000350122233 1042814830 /nfs/dbraw/zinc/81/48/30/1042814830.db2.gz LZJOWCSDVYDAJQ-QHCPKHFHSA-N 1 1 329.465 3.621 20 30 EHEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000303702598 1042942899 /nfs/dbraw/zinc/94/28/99/1042942899.db2.gz OHPZNHOHDDZJHZ-QFBILLFUSA-N 1 1 332.513 3.590 20 30 EHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000303702598 1042942902 /nfs/dbraw/zinc/94/29/02/1042942902.db2.gz OHPZNHOHDDZJHZ-QFBILLFUSA-N 1 1 332.513 3.590 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000344041400 1043144382 /nfs/dbraw/zinc/14/43/82/1043144382.db2.gz AGGMSAQLEZJMIF-PKOBYXMFSA-N 1 1 339.483 3.671 20 30 EHEDMO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000512160529 1043528127 /nfs/dbraw/zinc/52/81/27/1043528127.db2.gz AUXIZALPRIWZFE-LAUBAEHRSA-N 1 1 347.462 3.648 20 30 EHEDMO C=CCCCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000512170021 1043585215 /nfs/dbraw/zinc/58/52/15/1043585215.db2.gz ZLVDJTSLZOUMMW-IBGZPJMESA-N 1 1 343.515 3.895 20 30 EHEDMO Fc1ccc(C#CCN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512253485 1044410156 /nfs/dbraw/zinc/41/01/56/1044410156.db2.gz QDDPFLJNKNJZQD-QHCPKHFHSA-N 1 1 348.465 3.775 20 30 EHEDMO C=CCOc1c(Br)cc(C[N@@H+](C)C2CC2)cc1OC ZINC000153775554 1125658616 /nfs/dbraw/zinc/65/86/16/1125658616.db2.gz HJYGYOUMGKSLFX-UHFFFAOYSA-N 1 1 326.234 3.617 20 30 EHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@H](C)C2)c1C#N ZINC000072870441 1126909752 /nfs/dbraw/zinc/90/97/52/1126909752.db2.gz DPJJHRYJGNIRRQ-OKILXGFUSA-N 1 1 342.487 3.618 20 30 EHEDMO C=CCOc1ccccc1C[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC000623413495 1126948684 /nfs/dbraw/zinc/94/86/84/1126948684.db2.gz XVSXCBIOBWRLBI-UHFFFAOYSA-N 1 1 332.394 3.885 20 30 EHEDMO C=CCCC[C@H](C)NC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000183112885 1127363605 /nfs/dbraw/zinc/36/36/05/1127363605.db2.gz VDSGEGDBTFSOLE-DLBZAZTESA-N 1 1 345.487 3.946 20 30 EHEDMO Cc1nc2sc3c(c2c(N=NC2CC[N@H+]4CCC[C@H]24)n1)CCCC3 ZINC000765556966 1127664179 /nfs/dbraw/zinc/66/41/79/1127664179.db2.gz RAFXSZCNTRFLKS-CQSZACIVSA-N 1 1 341.484 3.515 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCOC2(CCC2)C1 ZINC000765724873 1127743730 /nfs/dbraw/zinc/74/37/30/1127743730.db2.gz JAYMIYPMMIGJHW-UHFFFAOYSA-N 1 1 329.469 3.527 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CCOC2(CCC2)C1 ZINC000765724873 1127743733 /nfs/dbraw/zinc/74/37/33/1127743733.db2.gz JAYMIYPMMIGJHW-UHFFFAOYSA-N 1 1 329.469 3.527 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000186163654 1127814455 /nfs/dbraw/zinc/81/44/55/1127814455.db2.gz KXQKGDCEMMEXQN-UHFFFAOYSA-N 1 1 327.815 3.591 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000186163654 1127814457 /nfs/dbraw/zinc/81/44/57/1127814457.db2.gz KXQKGDCEMMEXQN-UHFFFAOYSA-N 1 1 327.815 3.591 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccc(C#N)cc1 ZINC000153588130 1128474261 /nfs/dbraw/zinc/47/42/61/1128474261.db2.gz PELAGZWEZAEHQF-QZTJIDSGSA-N 1 1 333.479 3.804 20 30 EHEDMO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1ccc(C#N)cc1 ZINC000153588130 1128474263 /nfs/dbraw/zinc/47/42/63/1128474263.db2.gz PELAGZWEZAEHQF-QZTJIDSGSA-N 1 1 333.479 3.804 20 30 EHEDMO N#Cc1ccc(Cl)cc1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000301168410 1128576703 /nfs/dbraw/zinc/57/67/03/1128576703.db2.gz FMBKDHFCFWGASD-UHFFFAOYSA-N 1 1 341.842 3.656 20 30 EHEDMO N#Cc1ccc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc1Cl ZINC000301222235 1128579347 /nfs/dbraw/zinc/57/93/47/1128579347.db2.gz BCAWGPNWSQIYHT-LJQANCHMSA-N 1 1 341.842 3.697 20 30 EHEDMO N#Cc1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)cc1Cl ZINC000301282349 1128582239 /nfs/dbraw/zinc/58/22/39/1128582239.db2.gz YCNWOXJJVVXSER-UHFFFAOYSA-N 1 1 341.842 3.656 20 30 EHEDMO CC(C)C[N@H+]1CC[C@@H](CNc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000301594644 1128597272 /nfs/dbraw/zinc/59/72/72/1128597272.db2.gz FHOIFHVNZXANBM-AWEZNQCLSA-N 1 1 325.378 3.967 20 30 EHEDMO C[N@H+]1CC[C@@H](CNc2ccc(C#N)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301885214 1128610203 /nfs/dbraw/zinc/61/02/03/1128610203.db2.gz ONTKUDTUKVADBH-SCLBCKFNSA-N 1 1 344.821 3.851 20 30 EHEDMO CC(=O)c1ccc(C#N)cc1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000302071874 1128618367 /nfs/dbraw/zinc/61/83/67/1128618367.db2.gz ZALNTMWURLDDLL-IBGZPJMESA-N 1 1 337.423 3.993 20 30 EHEDMO CC[C@H]1CN(c2cc(C(C)=O)ccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000302151869 1128622801 /nfs/dbraw/zinc/62/28/01/1128622801.db2.gz KUXCXNWPZLOZME-NRFANRHFSA-N 1 1 347.462 3.862 20 30 EHEDMO CC[C@H]1CN(c2cc(C(C)=O)ccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000302151869 1128622802 /nfs/dbraw/zinc/62/28/02/1128622802.db2.gz KUXCXNWPZLOZME-NRFANRHFSA-N 1 1 347.462 3.862 20 30 EHEDMO N#Cc1cccnc1N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000302182747 1128625329 /nfs/dbraw/zinc/62/53/29/1128625329.db2.gz SGGQCASJPIVFNG-XUVXKRRUSA-N 1 1 332.451 3.666 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(CNc2c(C#N)cccc2C#N)cc1F ZINC000302405478 1128631957 /nfs/dbraw/zinc/63/19/57/1128631957.db2.gz FVZSSKPWPLRKAA-UHFFFAOYSA-N 1 1 331.354 3.675 20 30 EHEDMO C[N@H+]1CCC[C@H](CNc2c(C#N)cccc2C#N)[C@H]1c1cccs1 ZINC000302871635 1128652238 /nfs/dbraw/zinc/65/22/38/1128652238.db2.gz CAHRKCIXVQAYPN-APWZRJJASA-N 1 1 336.464 3.986 20 30 EHEDMO C[N@H+]1CCC[C@@H](CNc2c(C#N)cccc2C#N)[C@H]1c1cccs1 ZINC000302871639 1128652664 /nfs/dbraw/zinc/65/26/64/1128652664.db2.gz CAHRKCIXVQAYPN-LPHOPBHVSA-N 1 1 336.464 3.986 20 30 EHEDMO C[C@@H](c1ccccc1)N1CCC([NH2+]Cc2csc(C#N)c2)CC1 ZINC000921749895 1128726733 /nfs/dbraw/zinc/72/67/33/1128726733.db2.gz RRYVMWUATXJEKR-HNNXBMFYSA-N 1 1 325.481 3.935 20 30 EHEDMO C[N@@H+](CCc1cccc(Br)c1)Cc1ccc(C#N)cc1 ZINC000462827798 1128727354 /nfs/dbraw/zinc/72/73/54/1128727354.db2.gz ZMUNLNIPYSSVMF-UHFFFAOYSA-N 1 1 329.241 3.995 20 30 EHEDMO N#Cc1ccc(C[NH2+][C@@H](CCO)c2ccccc2)c(Br)c1 ZINC000305832641 1128784750 /nfs/dbraw/zinc/78/47/50/1128784750.db2.gz VUUMEYIUDBMVMH-KRWDZBQOSA-N 1 1 345.240 3.534 20 30 EHEDMO C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000921822163 1128789311 /nfs/dbraw/zinc/78/93/11/1128789311.db2.gz TWEBWCWOLHZKME-UHFFFAOYSA-N 1 1 325.437 3.811 20 30 EHEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CCOc1cccc(C#N)c1)CCC2 ZINC000111312000 1128859395 /nfs/dbraw/zinc/85/93/95/1128859395.db2.gz GCOJNWQULHIDEY-KRWDZBQOSA-N 1 1 327.453 3.711 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000581431952 1120207015 /nfs/dbraw/zinc/20/70/15/1120207015.db2.gz CSUATWVRLFDSER-MRXNPFEDSA-N 1 1 339.370 3.670 20 30 EHEDMO C=CCC[C@H](NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC001670779348 1120236586 /nfs/dbraw/zinc/23/65/86/1120236586.db2.gz BMWJDGGDPWWMNE-MSOLQXFVSA-N 1 1 329.488 3.866 20 30 EHEDMO C=CCC[C@H](NC(=O)N1CC[N@H+](C)C(C)(C)CC1)c1ccccc1 ZINC001670779524 1120237096 /nfs/dbraw/zinc/23/70/96/1120237096.db2.gz DAWGQLGFTMYHEG-SFHVURJKSA-N 1 1 329.488 3.820 20 30 EHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cccnc1Cl ZINC000914579734 1120911273 /nfs/dbraw/zinc/91/12/73/1120911273.db2.gz FJCXKRQLBXHZTP-CQSZACIVSA-N 1 1 329.831 3.750 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cccnc1Cl ZINC000914579734 1120911275 /nfs/dbraw/zinc/91/12/75/1120911275.db2.gz FJCXKRQLBXHZTP-CQSZACIVSA-N 1 1 329.831 3.750 20 30 EHEDMO C=CCc1cc(C[N@H+](CC=C)CCc2ccco2)cc(OC)c1O ZINC000495201951 1120989047 /nfs/dbraw/zinc/98/90/47/1120989047.db2.gz PJGKOKSAFZXQTP-UHFFFAOYSA-N 1 1 327.424 3.953 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)s1 ZINC000193421721 1121263947 /nfs/dbraw/zinc/26/39/47/1121263947.db2.gz QYTSNJXDVHTUPD-UHFFFAOYSA-N 1 1 328.412 3.854 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000077247881 1129003448 /nfs/dbraw/zinc/00/34/48/1129003448.db2.gz XMZYWLNRPGTTIJ-AWEZNQCLSA-N 1 1 328.387 3.778 20 30 EHEDMO CC(C)(C)OC(=O)NCCC[C@@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000496126733 1121704930 /nfs/dbraw/zinc/70/49/30/1121704930.db2.gz HCBSWEPKPUDMNI-QGZVFWFLSA-N 1 1 343.471 3.926 20 30 EHEDMO C[C@H](Nc1c(C#N)nnc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272660590 1121905417 /nfs/dbraw/zinc/90/54/17/1121905417.db2.gz BUIPMMFSCAXDFS-LSDHHAIUSA-N 1 1 335.455 3.566 20 30 EHEDMO CCC[NH+]1CCN(c2ccccc2C=NOCc2ccccc2)CC1 ZINC000915959951 1121993429 /nfs/dbraw/zinc/99/34/29/1121993429.db2.gz LWAXLWPJBPJBGF-UHFFFAOYSA-N 1 1 337.467 3.769 20 30 EHEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000496259392 1122030983 /nfs/dbraw/zinc/03/09/83/1122030983.db2.gz AIPBLRSWKKDHTP-CVEARBPZSA-N 1 1 337.508 3.942 20 30 EHEDMO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000496376873 1122064467 /nfs/dbraw/zinc/06/44/67/1122064467.db2.gz JNIYYWJMOLZPIB-AWEZNQCLSA-N 1 1 349.500 3.747 20 30 EHEDMO CCC[N@@H+](CC1(C#N)CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496459382 1122089772 /nfs/dbraw/zinc/08/97/72/1122089772.db2.gz LAHCYWMVUUUBPY-UHFFFAOYSA-N 1 1 335.492 3.792 20 30 EHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000125959283 1122366308 /nfs/dbraw/zinc/36/63/08/1122366308.db2.gz XYNXBUGLQMSLGW-QGZVFWFLSA-N 1 1 340.471 3.714 20 30 EHEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000065439373 1122400102 /nfs/dbraw/zinc/40/01/02/1122400102.db2.gz LIZKERPFISUYMW-IYBDPMFKSA-N 1 1 342.487 3.631 20 30 EHEDMO CC(C)([NH2+]Cc1ccc(C#N)cc1Cl)C(=O)Nc1ccccc1 ZINC000615226337 1122426938 /nfs/dbraw/zinc/42/69/38/1122426938.db2.gz PTFFFXOJCYJMRH-UHFFFAOYSA-N 1 1 327.815 3.719 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000066954993 1122492584 /nfs/dbraw/zinc/49/25/84/1122492584.db2.gz LLPHNEQCYPJUBW-GJZGRUSLSA-N 1 1 346.500 3.544 20 30 EHEDMO C=CC[N@@H+](CC(=O)NCC1(c2ccc(F)cc2)CCCC1)C(C)C ZINC000917167882 1122543791 /nfs/dbraw/zinc/54/37/91/1122543791.db2.gz GHWVGPWAVGSXQX-UHFFFAOYSA-N 1 1 332.463 3.650 20 30 EHEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)CC2CCCCC2)c(OC)c1 ZINC000497602645 1122606469 /nfs/dbraw/zinc/60/64/69/1122606469.db2.gz KDYRDHGSGGAXSR-IBGZPJMESA-N 1 1 347.499 3.676 20 30 EHEDMO C=CCOc1ccc(C(=O)NCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000497766909 1122660761 /nfs/dbraw/zinc/66/07/61/1122660761.db2.gz DTCVUFVXXKJVML-UHFFFAOYSA-N 1 1 338.451 3.503 20 30 EHEDMO COc1ccc(CCC[N@@H+](C)CCCOc2ccc(C#N)cc2)cc1 ZINC000918738691 1122902511 /nfs/dbraw/zinc/90/25/11/1122902511.db2.gz JLOIHQOKRCMOLH-UHFFFAOYSA-N 1 1 338.451 3.900 20 30 EHEDMO N#Cc1cccc(C2([NH2+]Cc3ccc(Oc4ccccc4)nn3)CC2)c1 ZINC000556513822 1123009852 /nfs/dbraw/zinc/00/98/52/1123009852.db2.gz ZZJYFKVPWTZXLF-UHFFFAOYSA-N 1 1 342.402 3.919 20 30 EHEDMO COc1cccc(O)c1/C=N/C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000921260970 1123500705 /nfs/dbraw/zinc/50/07/05/1123500705.db2.gz JAXZJLXOGVUVFD-OVBDPADQSA-N 1 1 338.451 3.732 20 30 EHEDMO C=CCNC(=O)C[N@@H+](C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000134210942 1123501644 /nfs/dbraw/zinc/50/16/44/1123501644.db2.gz FVWOCPXUIIICDO-HNNXBMFYSA-N 1 1 343.496 3.722 20 30 EHEDMO C=CCNC(=O)C[N@H+](C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000134210942 1123501646 /nfs/dbraw/zinc/50/16/46/1123501646.db2.gz FVWOCPXUIIICDO-HNNXBMFYSA-N 1 1 343.496 3.722 20 30 EHEDMO Cc1[nH+]ccn1-c1ccccc1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000064337399 1123576549 /nfs/dbraw/zinc/57/65/49/1123576549.db2.gz DWYSKHKMNLJEHQ-UHFFFAOYSA-N 1 1 333.351 3.573 20 30 EHEDMO CN(C(=O)CC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccccc1 ZINC000135113297 1123583650 /nfs/dbraw/zinc/58/36/50/1123583650.db2.gz BHIGMAFCZAGWKC-LEWJYISDSA-N 1 1 347.462 3.811 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000245447993 1123830395 /nfs/dbraw/zinc/83/03/95/1123830395.db2.gz MMOQPRRANYYBHF-XHSDSOJGSA-N 1 1 345.512 3.997 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)CC[C@@H]1C ZINC000245447993 1123830401 /nfs/dbraw/zinc/83/04/01/1123830401.db2.gz MMOQPRRANYYBHF-XHSDSOJGSA-N 1 1 345.512 3.997 20 30 EHEDMO CC[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cc(F)ccc1F ZINC000179779992 1123855017 /nfs/dbraw/zinc/85/50/17/1123855017.db2.gz QRYFTILASQTUEG-SUMWQHHRSA-N 1 1 349.425 3.737 20 30 EHEDMO C=CCC[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617000334 1124069409 /nfs/dbraw/zinc/06/94/09/1124069409.db2.gz YECGXLTUIXHCGE-IEBWSBKVSA-N 1 1 328.500 3.973 20 30 EHEDMO C=CC[C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000617037552 1124075724 /nfs/dbraw/zinc/07/57/24/1124075724.db2.gz OLYJBJKRGMTVGK-IEBWSBKVSA-N 1 1 341.499 3.858 20 30 EHEDMO CCCCCCC[C@@H](C)CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000734660582 1131266336 /nfs/dbraw/zinc/26/63/36/1131266336.db2.gz DASWDJVVYAFTTA-QZTJIDSGSA-N 1 1 325.541 3.966 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H]1C ZINC000248371541 1124653076 /nfs/dbraw/zinc/65/30/76/1124653076.db2.gz YTKNHDSCPZTSOU-QLFBSQMISA-N 1 1 331.485 3.607 20 30 EHEDMO Cc1[nH]c2ccccc2c1C[C@@H]([NH3+])c1nc(-c2cccc(C#N)c2)no1 ZINC001212336218 1124744516 /nfs/dbraw/zinc/74/45/16/1124744516.db2.gz VTUADKOXLWKGML-QGZVFWFLSA-N 1 1 343.390 3.641 20 30 EHEDMO C[C@H]([NH2+]Cc1nccn1CCc1ccccc1)c1cccc(C#N)c1 ZINC000181868986 1125071404 /nfs/dbraw/zinc/07/14/04/1125071404.db2.gz ISVIECLDYSEOFR-KRWDZBQOSA-N 1 1 330.435 3.848 20 30 EHEDMO COc1cccc(C[C@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)c1 ZINC000619620085 1125374685 /nfs/dbraw/zinc/37/46/85/1125374685.db2.gz GQAWNJQONGULEO-LJQANCHMSA-N 1 1 342.483 3.803 20 30 EHEDMO C[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000198391979 1125441827 /nfs/dbraw/zinc/44/18/27/1125441827.db2.gz GBMSDYLQJQUIJH-ZDUSSCGKSA-N 1 1 325.437 3.568 20 30 EHEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000115552168 1129273932 /nfs/dbraw/zinc/27/39/32/1129273932.db2.gz SHGANYFBNWFZCX-PBHICJAKSA-N 1 1 339.464 3.826 20 30 EHEDMO CC(N=Nc1cccc(F)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735614469 1131363766 /nfs/dbraw/zinc/36/37/66/1131363766.db2.gz ZTOXQYXKGRVJHE-IBGZPJMESA-N 1 1 327.403 3.515 20 30 EHEDMO CC(N=Nc1cccc(F)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735614469 1131363773 /nfs/dbraw/zinc/36/37/73/1131363773.db2.gz ZTOXQYXKGRVJHE-IBGZPJMESA-N 1 1 327.403 3.515 20 30 EHEDMO N#Cc1ccc(C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000543177722 1129312065 /nfs/dbraw/zinc/31/20/65/1129312065.db2.gz JUNCBJAYLXNAQU-UHFFFAOYSA-N 1 1 337.379 3.510 20 30 EHEDMO Cc1nc(C[NH2+]Cc2ccc(CC#N)cc2)sc1Br ZINC000922206668 1129350099 /nfs/dbraw/zinc/35/00/99/1129350099.db2.gz DKPMYLMAWQHFQQ-UHFFFAOYSA-N 1 1 336.258 3.570 20 30 EHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000543248865 1129371475 /nfs/dbraw/zinc/37/14/75/1129371475.db2.gz GBHUQRXESHNJAB-VQTJNVASSA-N 1 1 334.419 3.570 20 30 EHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000543248865 1129371478 /nfs/dbraw/zinc/37/14/78/1129371478.db2.gz GBHUQRXESHNJAB-VQTJNVASSA-N 1 1 334.419 3.570 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000735670832 1131372100 /nfs/dbraw/zinc/37/21/00/1131372100.db2.gz WPHNSBRBYCIMBJ-OAHLLOKOSA-N 1 1 329.444 3.562 20 30 EHEDMO C=CCOc1ccc(C[NH2+][C@@H](CO)c2cccc(Cl)c2F)cc1 ZINC000466388928 1129415775 /nfs/dbraw/zinc/41/57/75/1129415775.db2.gz ATFYSGGERGGJNT-KRWDZBQOSA-N 1 1 335.806 3.867 20 30 EHEDMO COc1cccc([C@@H](C)[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000081647358 1129435461 /nfs/dbraw/zinc/43/54/61/1129435461.db2.gz AOHBHKAQZSZPCC-GOSISDBHSA-N 1 1 349.478 3.836 20 30 EHEDMO COc1cccc([C@@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000081647358 1129435462 /nfs/dbraw/zinc/43/54/62/1129435462.db2.gz AOHBHKAQZSZPCC-GOSISDBHSA-N 1 1 349.478 3.836 20 30 EHEDMO COc1cccc([C@@H](C)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000081647358 1129435466 /nfs/dbraw/zinc/43/54/66/1129435466.db2.gz AOHBHKAQZSZPCC-GOSISDBHSA-N 1 1 349.478 3.836 20 30 EHEDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093562979 1129594087 /nfs/dbraw/zinc/59/40/87/1129594087.db2.gz XUOAUWXXKYMDPS-AEFFLSMTSA-N 1 1 330.435 3.892 20 30 EHEDMO N#Cc1cccc(COC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000735938137 1131392548 /nfs/dbraw/zinc/39/25/48/1131392548.db2.gz KHRBHCGQDOCNIO-FQEVSTJZSA-N 1 1 334.419 3.514 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000156558623 1129724308 /nfs/dbraw/zinc/72/43/08/1129724308.db2.gz IQIHQOIOPURSCW-SJORKVTESA-N 1 1 342.464 3.716 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000157289069 1129756136 /nfs/dbraw/zinc/75/61/36/1129756136.db2.gz CDRSAFDXNMYWMP-UHFFFAOYSA-N 1 1 337.379 3.640 20 30 EHEDMO COc1ccc(C#N)cc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000157289069 1129756138 /nfs/dbraw/zinc/75/61/38/1129756138.db2.gz CDRSAFDXNMYWMP-UHFFFAOYSA-N 1 1 337.379 3.640 20 30 EHEDMO C=CC[C@@H]([NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C)c1ccncc1 ZINC000766019551 1129791903 /nfs/dbraw/zinc/79/19/03/1129791903.db2.gz MMTMWEHTEVQKAA-HNAYVOBHSA-N 1 1 333.439 3.939 20 30 EHEDMO C#CC[N@H+](Cc1ccc2c(c1)CCC(=O)N2C)[C@H]1CCc2ccccc21 ZINC000186753360 1129792304 /nfs/dbraw/zinc/79/23/04/1129792304.db2.gz RPIGZDBDMYLIDM-QFIPXVFZSA-N 1 1 344.458 3.718 20 30 EHEDMO CC[N@@H+](Cc1cnn(CC(F)(F)F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000351624144 1129827029 /nfs/dbraw/zinc/82/70/29/1129827029.db2.gz XGJJQGYZUSKHQY-ZDUSSCGKSA-N 1 1 336.361 3.900 20 30 EHEDMO C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CCN1C ZINC000766107934 1130323093 /nfs/dbraw/zinc/32/30/93/1130323093.db2.gz JIIHEMSKMQZZJU-RHSMWYFYSA-N 1 1 325.481 3.859 20 30 EHEDMO C[N@@H+]1CCC[C@@H](CNCc2cc(C#N)cs2)[C@H]1c1cccs1 ZINC000246184189 1130354557 /nfs/dbraw/zinc/35/45/57/1130354557.db2.gz KQMJWEHUDSGUTB-YOEHRIQHSA-N 1 1 331.510 3.854 20 30 EHEDMO C[N@H+]1CCC[C@@H](CNCc2cc(C#N)cs2)[C@H]1c1cccs1 ZINC000246184189 1130354561 /nfs/dbraw/zinc/35/45/61/1130354561.db2.gz KQMJWEHUDSGUTB-YOEHRIQHSA-N 1 1 331.510 3.854 20 30 EHEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ccccc1Oc1ccccc1 ZINC000730282780 1130693341 /nfs/dbraw/zinc/69/33/41/1130693341.db2.gz OUJHVNRATDIALT-XLIONFOSSA-N 1 1 348.446 3.754 20 30 EHEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ccccc1Oc1ccccc1 ZINC000730282780 1130693344 /nfs/dbraw/zinc/69/33/44/1130693344.db2.gz OUJHVNRATDIALT-XLIONFOSSA-N 1 1 348.446 3.754 20 30 EHEDMO C=CCOCCC[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000348047007 1131137511 /nfs/dbraw/zinc/13/75/11/1131137511.db2.gz KMWWJRRNCVJUFA-KRWDZBQOSA-N 1 1 332.492 3.625 20 30 EHEDMO C=CCOCCC[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000348047007 1131137513 /nfs/dbraw/zinc/13/75/13/1131137513.db2.gz KMWWJRRNCVJUFA-KRWDZBQOSA-N 1 1 332.492 3.625 20 30 EHEDMO C=CCOCCC[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000348047007 1131137517 /nfs/dbraw/zinc/13/75/17/1131137517.db2.gz KMWWJRRNCVJUFA-KRWDZBQOSA-N 1 1 332.492 3.625 20 30 EHEDMO C[C@@H]1CC(N=Nc2ccc(Cl)nn2)CC[N@H+]1Cc1ccccc1 ZINC000734297091 1131215992 /nfs/dbraw/zinc/21/59/92/1131215992.db2.gz FIVJRYPUXZVVNV-CYBMUJFWSA-N 1 1 329.835 3.582 20 30 EHEDMO C[C@H]1CC(N=Nc2cncc(Cl)n2)CC[N@H+]1Cc1ccccc1 ZINC000734298380 1131216463 /nfs/dbraw/zinc/21/64/63/1131216463.db2.gz DSJLSJOPRPCCIR-ZDUSSCGKSA-N 1 1 329.835 3.582 20 30 EHEDMO N#Cc1ccc(C(=O)OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000734297526 1131216538 /nfs/dbraw/zinc/21/65/38/1131216538.db2.gz AKUZDABTOIZRMG-IBGZPJMESA-N 1 1 334.419 3.627 20 30 EHEDMO C=CCn1c2ccccc2n(C[N@@H+](CC)C[C@@H]2CCOC2)c1=S ZINC000738083382 1131460519 /nfs/dbraw/zinc/46/05/19/1131460519.db2.gz WXZOBZDNTSHKAB-HNNXBMFYSA-N 1 1 331.485 3.674 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000739835601 1131513570 /nfs/dbraw/zinc/51/35/70/1131513570.db2.gz CMYJBOBVEWKHRI-RYGJVYDSSA-N 1 1 349.482 3.983 20 30 EHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000739912441 1131517157 /nfs/dbraw/zinc/51/71/57/1131517157.db2.gz KNYBMPNDPFJBCV-AZUAARDMSA-N 1 1 334.419 3.570 20 30 EHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000739912441 1131517162 /nfs/dbraw/zinc/51/71/62/1131517162.db2.gz KNYBMPNDPFJBCV-AZUAARDMSA-N 1 1 334.419 3.570 20 30 EHEDMO CC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)[C@H](C)C(C)C ZINC000741788507 1131647740 /nfs/dbraw/zinc/64/77/40/1131647740.db2.gz VQCCKHYXILFLHL-ZIAGYGMSSA-N 1 1 329.469 3.839 20 30 EHEDMO CC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)[C@H](C)C(C)C ZINC000741788507 1131647744 /nfs/dbraw/zinc/64/77/44/1131647744.db2.gz VQCCKHYXILFLHL-ZIAGYGMSSA-N 1 1 329.469 3.839 20 30 EHEDMO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(F)c(Br)c2)c1 ZINC000742381797 1131713095 /nfs/dbraw/zinc/71/30/95/1131713095.db2.gz KAHDDQLABSGSMG-UHFFFAOYSA-N 1 1 337.167 3.889 20 30 EHEDMO C#CCCCNc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000742423014 1131723676 /nfs/dbraw/zinc/72/36/76/1131723676.db2.gz SBWQKVQQFWMWTH-UHFFFAOYSA-N 1 1 328.485 3.729 20 30 EHEDMO CC(C)COCC[C@H](C)[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001172477551 1131736968 /nfs/dbraw/zinc/73/69/68/1131736968.db2.gz AYSJNHUCXPMOTA-FXAWDEMLSA-N 1 1 330.472 3.853 20 30 EHEDMO C[C@H](CCCC#N)[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001172500212 1131759756 /nfs/dbraw/zinc/75/97/56/1131759756.db2.gz KNOKHKVGDWKRFN-GFCCVEGCSA-N 1 1 327.259 3.593 20 30 EHEDMO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@H+]([C@H](C)CCCC#N)C2 ZINC001172498775 1131760036 /nfs/dbraw/zinc/76/00/36/1131760036.db2.gz ODEBXWVYQRJVRJ-GOSISDBHSA-N 1 1 349.482 3.690 20 30 EHEDMO CC(C)n1ncc2cc(C[NH2+]Cc3ccc(C#N)cc3)c(Cl)nc21 ZINC000742674985 1131769362 /nfs/dbraw/zinc/76/93/62/1131769362.db2.gz JTNAQJDGAOTKNV-UHFFFAOYSA-N 1 1 339.830 3.827 20 30 EHEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)C2)C1=O ZINC001172564866 1131773457 /nfs/dbraw/zinc/77/34/57/1131773457.db2.gz ZDNOFEXSGOXSGK-KCZVDYSFSA-N 1 1 338.495 3.823 20 30 EHEDMO CCCC[C@H]1C[C@@H]([N@@H+]2CC[C@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001172647628 1131799723 /nfs/dbraw/zinc/79/97/23/1131799723.db2.gz DXUQZSDVCITRHJ-IKGGRYGDSA-N 1 1 335.492 3.790 20 30 EHEDMO CCCC[C@H]1C[C@@H]([N@H+]2CC[C@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001172647628 1131799726 /nfs/dbraw/zinc/79/97/26/1131799726.db2.gz DXUQZSDVCITRHJ-IKGGRYGDSA-N 1 1 335.492 3.790 20 30 EHEDMO C=C(Cl)C[NH+]1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000743278702 1131883906 /nfs/dbraw/zinc/88/39/06/1131883906.db2.gz PATXVWGUYKUTTO-HNNXBMFYSA-N 1 1 328.884 3.850 20 30 EHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912219 1131918237 /nfs/dbraw/zinc/91/82/37/1131918237.db2.gz JVHBUUHKWPGSEN-IBGZPJMESA-N 1 1 335.407 3.846 20 30 EHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1cccc(Cl)c1 ZINC000743842807 1131990018 /nfs/dbraw/zinc/99/00/18/1131990018.db2.gz KZYUJDWTYUYNRB-GOSISDBHSA-N 1 1 346.814 3.970 20 30 EHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)c1cccc(Cl)c1 ZINC000743842808 1131990076 /nfs/dbraw/zinc/99/00/76/1131990076.db2.gz KZYUJDWTYUYNRB-SFHVURJKSA-N 1 1 346.814 3.970 20 30 EHEDMO Cc1nc(C)c(C[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)s1 ZINC001206192169 1131994255 /nfs/dbraw/zinc/99/42/55/1131994255.db2.gz KXITUGCVYGTGJD-KRWDZBQOSA-N 1 1 327.453 3.675 20 30 EHEDMO CCCC[C@H](CC(C)C)[NH2+][C@@H](Cc1ccc(C#N)cc1)C(=O)OC ZINC001173254771 1132020766 /nfs/dbraw/zinc/02/07/66/1132020766.db2.gz BBCCTXUOBXRURJ-MOPGFXCFSA-N 1 1 330.472 3.837 20 30 EHEDMO C=CCOC1CCC([N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001173321553 1132045824 /nfs/dbraw/zinc/04/58/24/1132045824.db2.gz LYJXQJUPKDWKMV-NYLDSWQDSA-N 1 1 328.500 3.707 20 30 EHEDMO C=CCOC1CCC([N@@H+](CCC(=O)OC)Cc2ccccc2)CC1 ZINC001173321126 1132045843 /nfs/dbraw/zinc/04/58/43/1132045843.db2.gz XBBUOQPAEGMTIT-UHFFFAOYSA-N 1 1 331.456 3.566 20 30 EHEDMO C=CCOC1CCC([N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001173326757 1132047712 /nfs/dbraw/zinc/04/77/12/1132047712.db2.gz PQWJOBXKTXPCJO-GZNCHQMQSA-N 1 1 340.467 3.915 20 30 EHEDMO C=CCOC1CCC([N@@H+]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC001173325611 1132048364 /nfs/dbraw/zinc/04/83/64/1132048364.db2.gz NLRFWOGFSSRJPJ-KMFTYDHNSA-N 1 1 328.500 3.707 20 30 EHEDMO C[C@@H]1CC[N@H+](C2CCC(CC#N)CC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001173332214 1132050765 /nfs/dbraw/zinc/05/07/65/1132050765.db2.gz XFQGYEGYNJQZGR-ZLZJIPBDSA-N 1 1 349.519 3.942 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@]12CCC[N@H+](C1CCC(CC#N)CC1)C2 ZINC001173332349 1132050859 /nfs/dbraw/zinc/05/08/59/1132050859.db2.gz ZZSQKMVLKKQWPG-LBXVMSDZSA-N 1 1 347.503 3.934 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@H+]2C2CCC(CC#N)CC2)C1 ZINC001173336018 1132051875 /nfs/dbraw/zinc/05/18/75/1132051875.db2.gz KLPHSDYTSCPEOH-UHYCVJNDSA-N 1 1 347.503 3.934 20 30 EHEDMO C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC(CC#N)CC1 ZINC001173337840 1132053068 /nfs/dbraw/zinc/05/30/68/1132053068.db2.gz UEXAOGHMMFUNOT-VEDCXYSMSA-N 1 1 325.500 3.913 20 30 EHEDMO C[N@H+](C[C@H]1CCN(Cc2ccccc2)C1)C1CCC(CC#N)CC1 ZINC001173337840 1132053076 /nfs/dbraw/zinc/05/30/76/1132053076.db2.gz UEXAOGHMMFUNOT-VEDCXYSMSA-N 1 1 325.500 3.913 20 30 EHEDMO C[N@@H+](C[C@H]1CCN(Cc2ccccc2)C1)C1CCC(CC#N)CC1 ZINC001173337840 1132053083 /nfs/dbraw/zinc/05/30/83/1132053083.db2.gz UEXAOGHMMFUNOT-VEDCXYSMSA-N 1 1 325.500 3.913 20 30 EHEDMO COC(=O)[C@H]1CC[N@H+](C2CCC(CC#N)CC2)[C@H]1c1ccccc1 ZINC001173338956 1132053865 /nfs/dbraw/zinc/05/38/65/1132053865.db2.gz LAYSFCPPWHYFDL-FYOYPEGLSA-N 1 1 326.440 3.695 20 30 EHEDMO Cc1ccc(C[N@H+](C)C2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC001173431550 1132072165 /nfs/dbraw/zinc/07/21/65/1132072165.db2.gz ITBPMEFEAWIIRJ-UHFFFAOYSA-N 1 1 347.462 3.603 20 30 EHEDMO C[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C[C@H]1C ZINC001173429999 1132072410 /nfs/dbraw/zinc/07/24/10/1132072410.db2.gz HPGFXKKPUZJMQE-DLBZAZTESA-N 1 1 339.483 3.531 20 30 EHEDMO COC(=O)CCCC[C@@H](C)[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001173456345 1132082465 /nfs/dbraw/zinc/08/24/65/1132082465.db2.gz CAIHUHQVPSBBBA-AEFFLSMTSA-N 1 1 344.455 3.523 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC2(CCCC2)C1 ZINC000744422041 1132092484 /nfs/dbraw/zinc/09/24/84/1132092484.db2.gz LJZSUYHYWASDNH-MRXNPFEDSA-N 1 1 332.513 3.917 20 30 EHEDMO CC1(C#N)CCC([N@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)CC1 ZINC001173595521 1132099667 /nfs/dbraw/zinc/09/96/67/1132099667.db2.gz QCSQZQBGWBBRJA-XUJQIHCRSA-N 1 1 343.496 3.649 20 30 EHEDMO CN(C[C@H]1CC[N@H+](C2CCC(C)(C#N)CC2)C1)C(=O)OC(C)(C)C ZINC001173597979 1132100883 /nfs/dbraw/zinc/10/08/83/1132100883.db2.gz KXJWDKKZZZGFJJ-MDCZIUGASA-N 1 1 335.492 3.648 20 30 EHEDMO C#Cc1cccc(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000766325095 1132201828 /nfs/dbraw/zinc/20/18/28/1132201828.db2.gz AOPWOSQMEHHEIV-MSOLQXFVSA-N 1 1 347.462 3.795 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000065439370 1132504284 /nfs/dbraw/zinc/50/42/84/1132504284.db2.gz JFHGSRBEICHTAH-UZLBHIALSA-N 1 1 348.450 3.710 20 30 EHEDMO C/C=C\C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC001175052496 1132550422 /nfs/dbraw/zinc/55/04/22/1132550422.db2.gz GBLKYSQHHJNDEN-SFAKSCPVSA-N 1 1 331.847 3.828 20 30 EHEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@@H](c3c[nH]c4ncccc34)C2)c1 ZINC001175399342 1132660089 /nfs/dbraw/zinc/66/00/89/1132660089.db2.gz KHZIKAWMHGCEOJ-QGZVFWFLSA-N 1 1 346.434 3.693 20 30 EHEDMO C[NH+]1CCN(c2ccc(Nc3cc(F)cc(C#N)c3)cc2Cl)CC1 ZINC001175684777 1132738747 /nfs/dbraw/zinc/73/87/47/1132738747.db2.gz BEHAUJSBCMDYLI-UHFFFAOYSA-N 1 1 344.821 3.846 20 30 EHEDMO Cc1cc(C#N)c(F)cc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175863301 1132786622 /nfs/dbraw/zinc/78/66/22/1132786622.db2.gz DNVXQJPDGPENFM-UHFFFAOYSA-N 1 1 325.387 3.582 20 30 EHEDMO C#C[C@@](C)(CC)Nc1[nH+]cnc2c1ccn2COCC[Si](C)(C)C ZINC001169690787 1132821771 /nfs/dbraw/zinc/82/17/71/1132821771.db2.gz YTEMCLNNRDUQGK-SFHVURJKSA-N 1 1 344.535 3.957 20 30 EHEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000773546529 1132843173 /nfs/dbraw/zinc/84/31/73/1132843173.db2.gz ZBLKVTZDYIPWIM-INIZCTEOSA-N 1 1 344.846 3.919 20 30 EHEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000773546529 1132843177 /nfs/dbraw/zinc/84/31/77/1132843177.db2.gz ZBLKVTZDYIPWIM-INIZCTEOSA-N 1 1 344.846 3.919 20 30 EHEDMO C#CC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000766852433 1132871671 /nfs/dbraw/zinc/87/16/71/1132871671.db2.gz NFPADKCUAASTMC-MRXNPFEDSA-N 1 1 328.343 3.597 20 30 EHEDMO CCCC1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2C#N)CC1 ZINC001169953862 1132908627 /nfs/dbraw/zinc/90/86/27/1132908627.db2.gz WVEAQTDMKFZJFW-NKELODKYSA-N 1 1 330.472 3.589 20 30 EHEDMO N#CCC[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169957697 1132909547 /nfs/dbraw/zinc/90/95/47/1132909547.db2.gz WRZXGXBHYVDYHJ-QGZVFWFLSA-N 1 1 334.847 3.741 20 30 EHEDMO N#CCC[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169957697 1132909556 /nfs/dbraw/zinc/90/95/56/1132909556.db2.gz WRZXGXBHYVDYHJ-QGZVFWFLSA-N 1 1 334.847 3.741 20 30 EHEDMO C#CC[N@@H+](CC)CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000766897766 1132912466 /nfs/dbraw/zinc/91/24/66/1132912466.db2.gz OREVEYLPRJWTHL-UHFFFAOYSA-N 1 1 336.435 3.549 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000766915414 1132913704 /nfs/dbraw/zinc/91/37/04/1132913704.db2.gz MOWMTNUQJVJWPD-FPOVZHCZSA-N 1 1 336.435 3.655 20 30 EHEDMO C#CCCC[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000766920874 1132915558 /nfs/dbraw/zinc/91/55/58/1132915558.db2.gz VXDNNQXBMCROQF-HNNXBMFYSA-N 1 1 329.831 3.983 20 30 EHEDMO C#CCCC[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000766904628 1132916758 /nfs/dbraw/zinc/91/67/58/1132916758.db2.gz AHKNYLANOKYBDO-HNNXBMFYSA-N 1 1 339.220 3.842 20 30 EHEDMO C#CCOc1ccccc1C[NH2+]C[C@H](C(C)C)N1CCC(C)CC1 ZINC001177256764 1133046080 /nfs/dbraw/zinc/04/60/80/1133046080.db2.gz LJCYBKHQQIFRON-HXUWFJFHSA-N 1 1 328.500 3.545 20 30 EHEDMO C#CCOc1ccc(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000768207296 1133107676 /nfs/dbraw/zinc/10/76/76/1133107676.db2.gz BEPWJYCHKVYQIK-UHFFFAOYSA-N 1 1 331.419 3.516 20 30 EHEDMO C#CCOc1ccc(C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000768207296 1133107679 /nfs/dbraw/zinc/10/76/79/1133107679.db2.gz BEPWJYCHKVYQIK-UHFFFAOYSA-N 1 1 331.419 3.516 20 30 EHEDMO C[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C[N@H+](Cc2ccccc2)C1 ZINC000768516564 1133154487 /nfs/dbraw/zinc/15/44/87/1133154487.db2.gz ZNWFTOVAQUONHE-JXFKEZNVSA-N 1 1 337.442 3.698 20 30 EHEDMO C[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C[N@@H+](Cc2ccccc2)C1 ZINC000768516564 1133154489 /nfs/dbraw/zinc/15/44/89/1133154489.db2.gz ZNWFTOVAQUONHE-JXFKEZNVSA-N 1 1 337.442 3.698 20 30 EHEDMO C[C@H](c1ccccc1)N(C(=O)[C@@H]1CCCC[N@@H+]1C)C1=CC(=O)CCC1 ZINC001178697554 1133192100 /nfs/dbraw/zinc/19/21/00/1133192100.db2.gz XYMMNJRNDDWEJY-UZLBHIALSA-N 1 1 340.467 3.697 20 30 EHEDMO C[C@H](c1ccccc1)N(C(=O)[C@@H]1CCCC[N@H+]1C)C1=CC(=O)CCC1 ZINC001178697554 1133192104 /nfs/dbraw/zinc/19/21/04/1133192104.db2.gz XYMMNJRNDDWEJY-UZLBHIALSA-N 1 1 340.467 3.697 20 30 EHEDMO C=CCCn1cc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)nn1 ZINC001178695211 1133192714 /nfs/dbraw/zinc/19/27/14/1133192714.db2.gz XBFJGPDOFIYLOI-UHFFFAOYSA-N 1 1 348.450 3.723 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)cc1 ZINC000769025838 1133216008 /nfs/dbraw/zinc/21/60/08/1133216008.db2.gz ZZPNIKMYBBHOHK-IIBYNOLFSA-N 1 1 336.435 3.723 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000769315211 1133260601 /nfs/dbraw/zinc/26/06/01/1133260601.db2.gz HSCNLSVDEXPSHM-LAUBAEHRSA-N 1 1 336.435 3.941 20 30 EHEDMO C#CCCOc1ccc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000769481930 1133288190 /nfs/dbraw/zinc/28/81/90/1133288190.db2.gz BLARLLJRVIBDNG-QHCPKHFHSA-N 1 1 347.458 3.763 20 30 EHEDMO CC[N@@H+](C[C@H](C)C#N)CC(CC)(CC)CNC(=O)OC(C)(C)C ZINC001180240019 1133349787 /nfs/dbraw/zinc/34/97/87/1133349787.db2.gz RWNMFPAXBHITGF-OAHLLOKOSA-N 1 1 325.497 3.799 20 30 EHEDMO C#C[C@H](C)[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000769963478 1133366541 /nfs/dbraw/zinc/36/65/41/1133366541.db2.gz USHDLMVPGNVJJQ-BLLLJJGKSA-N 1 1 339.266 3.610 20 30 EHEDMO C#C[C@H](C)[N@@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000769963478 1133366544 /nfs/dbraw/zinc/36/65/44/1133366544.db2.gz USHDLMVPGNVJJQ-BLLLJJGKSA-N 1 1 339.266 3.610 20 30 EHEDMO C[N@H+](Cc1ccccc1)[C@H](C(=O)N1CCC[C@@H](C#N)C1)c1ccccc1 ZINC001182241809 1133605950 /nfs/dbraw/zinc/60/59/50/1133605950.db2.gz SKPOVBSZDDCASO-FPOVZHCZSA-N 1 1 347.462 3.622 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@H](C(=O)N1CCC[C@@H](C#N)C1)c1ccccc1 ZINC001182241809 1133605952 /nfs/dbraw/zinc/60/59/52/1133605952.db2.gz SKPOVBSZDDCASO-FPOVZHCZSA-N 1 1 347.462 3.622 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[N@H+](Cc1ccncc1)C1CC1 ZINC000772243389 1133665382 /nfs/dbraw/zinc/66/53/82/1133665382.db2.gz PAVPXNWYUGUAIX-UHFFFAOYSA-N 1 1 327.815 3.802 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000772243389 1133665384 /nfs/dbraw/zinc/66/53/84/1133665384.db2.gz PAVPXNWYUGUAIX-UHFFFAOYSA-N 1 1 327.815 3.802 20 30 EHEDMO C[C@H](C#N)c1ccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001183569940 1133824690 /nfs/dbraw/zinc/82/46/90/1133824690.db2.gz VVMVCPIHKKZHCX-VQIMIIECSA-N 1 1 333.435 3.774 20 30 EHEDMO N#Cc1ccc(N[C@H]2CCC[N@H+](C/C=C/c3ccc(F)cc3)C2)nc1 ZINC001183927880 1133880345 /nfs/dbraw/zinc/88/03/45/1133880345.db2.gz DTOXVNAZSOAMBU-UJXFUWLCSA-N 1 1 336.414 3.682 20 30 EHEDMO CCCCN(O)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001184314737 1133920634 /nfs/dbraw/zinc/92/06/34/1133920634.db2.gz IJFWEAZHTVLACF-UHFFFAOYSA-N 1 1 326.440 3.950 20 30 EHEDMO C[NH+](C)[C@H](CNc1cccc(C#N)c1[N+](=O)[O-])c1ccccc1Cl ZINC001184563772 1133958212 /nfs/dbraw/zinc/95/82/12/1133958212.db2.gz KFGSCFDMQMTUGI-MRXNPFEDSA-N 1 1 344.802 3.835 20 30 EHEDMO CCCCC[C@H](C)NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000746650767 1133967924 /nfs/dbraw/zinc/96/79/24/1133967924.db2.gz IKODBYCNJORELG-INIZCTEOSA-N 1 1 327.472 3.608 20 30 EHEDMO CCCCC[C@H](C)NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000746650767 1133967927 /nfs/dbraw/zinc/96/79/27/1133967927.db2.gz IKODBYCNJORELG-INIZCTEOSA-N 1 1 327.472 3.608 20 30 EHEDMO CCC[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000774841226 1134049192 /nfs/dbraw/zinc/04/91/92/1134049192.db2.gz OFDMZXDBOMOPTI-UHFFFAOYSA-N 1 1 331.460 3.685 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774856926 1134070060 /nfs/dbraw/zinc/07/00/60/1134070060.db2.gz HUJFOXRPXAMTON-UHFFFAOYSA-N 1 1 341.367 3.734 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774856926 1134070066 /nfs/dbraw/zinc/07/00/66/1134070066.db2.gz HUJFOXRPXAMTON-UHFFFAOYSA-N 1 1 341.367 3.734 20 30 EHEDMO Cc1nsc(NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)c1C#N ZINC001185323658 1134071802 /nfs/dbraw/zinc/07/18/02/1134071802.db2.gz SWGQHYHQLWNOCX-UHFFFAOYSA-N 1 1 348.516 3.549 20 30 EHEDMO Cc1cc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)ccc1C#N ZINC000774912950 1134119772 /nfs/dbraw/zinc/11/97/72/1134119772.db2.gz PCEHDJBRACDAPN-DOTOQJQBSA-N 1 1 343.471 3.602 20 30 EHEDMO CCC[N@H+]1CCc2c(N)sc(Nc3ccccc3OCC#N)c2C1 ZINC001212599529 1134173665 /nfs/dbraw/zinc/17/36/65/1134173665.db2.gz YMEWQNJTOKTAQY-UHFFFAOYSA-N 1 1 342.468 3.744 20 30 EHEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cc(C(F)(F)F)cc(C#N)n1 ZINC001186621295 1134236969 /nfs/dbraw/zinc/23/69/69/1134236969.db2.gz SXYYULMGPXIOSX-CYBMUJFWSA-N 1 1 348.372 3.904 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001187172352 1134310783 /nfs/dbraw/zinc/31/07/83/1134310783.db2.gz YWGRYIFTCJHOTH-AWEZNQCLSA-N 1 1 328.243 3.765 20 30 EHEDMO C#CC[N@H+]1CCC[C@H](Nc2ncnc3sc(-c4ccccc4)cc32)C1 ZINC001187585728 1134350168 /nfs/dbraw/zinc/35/01/68/1134350168.db2.gz CWTXFDBZSZLVHN-INIZCTEOSA-N 1 1 348.475 3.868 20 30 EHEDMO Cc1cc(C[NH2+]Cc2cccc(Br)c2O)ccc1C#N ZINC000775152796 1134397137 /nfs/dbraw/zinc/39/71/37/1134397137.db2.gz QGCCTTCSPNUQRC-UHFFFAOYSA-N 1 1 331.213 3.625 20 30 EHEDMO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+]([C@@H]1CC[C@@H](C)C1)CC2 ZINC001170141128 1134443912 /nfs/dbraw/zinc/44/39/12/1134443912.db2.gz YPSKGENYKGIRBA-NVXWUHKLSA-N 1 1 329.488 3.542 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001189276354 1134565934 /nfs/dbraw/zinc/56/59/34/1134565934.db2.gz MBTCLJKTDDZILS-REPLKXPHSA-N 1 1 341.499 3.879 20 30 EHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H](C(=O)NC(C)C)C(C)C)cc1 ZINC001170197221 1134712671 /nfs/dbraw/zinc/71/26/71/1134712671.db2.gz HWJIXUHEKZLRJJ-UXHICEINSA-N 1 1 343.515 3.971 20 30 EHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@@H](N3CCCCC3)C2)CC1 ZINC001170388850 1134762212 /nfs/dbraw/zinc/76/22/12/1134762212.db2.gz HTJATCCFNWEKFB-ATKRNPRHSA-N 1 1 337.511 3.951 20 30 EHEDMO N#CC1(c2ccccc2)CCC(N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC001170388850 1134762215 /nfs/dbraw/zinc/76/22/15/1134762215.db2.gz HTJATCCFNWEKFB-ATKRNPRHSA-N 1 1 337.511 3.951 20 30 EHEDMO CCCC[NH+]1CCN(C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170387119 1134762246 /nfs/dbraw/zinc/76/22/46/1134762246.db2.gz QWZQJFLVDVJQEI-UHFFFAOYSA-N 1 1 325.500 3.808 20 30 EHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCc3c(cc[nH]c3=O)C2)CC1 ZINC001170396375 1134764042 /nfs/dbraw/zinc/76/40/42/1134764042.db2.gz ZIRHRUYQDJTORL-UHFFFAOYSA-N 1 1 333.435 3.549 20 30 EHEDMO N#CC1(c2ccccc2)CCC([N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)CC1 ZINC001170395731 1134764178 /nfs/dbraw/zinc/76/41/78/1134764178.db2.gz NXBZCJZAPPJTGM-LPOKXYRGSA-N 1 1 346.421 3.604 20 30 EHEDMO CCCCCCCCNC(=O)N1CCCN(c2cccc(C)[nH+]2)CC1 ZINC001191064221 1134785792 /nfs/dbraw/zinc/78/57/92/1134785792.db2.gz SARVPYQIRUIQLB-UHFFFAOYSA-N 1 1 346.519 3.972 20 30 EHEDMO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793485738 1134938889 /nfs/dbraw/zinc/93/88/89/1134938889.db2.gz BLKHOPBVOABFOE-NRFANRHFSA-N 1 1 347.462 3.702 20 30 EHEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793485738 1134938896 /nfs/dbraw/zinc/93/88/96/1134938896.db2.gz BLKHOPBVOABFOE-NRFANRHFSA-N 1 1 347.462 3.702 20 30 EHEDMO C=CC[N@@H+](CCc1ccco1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001192654004 1135039813 /nfs/dbraw/zinc/03/98/13/1135039813.db2.gz RWIIIVZARLJESA-GOSISDBHSA-N 1 1 344.842 3.769 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001192654004 1135039818 /nfs/dbraw/zinc/03/98/18/1135039818.db2.gz RWIIIVZARLJESA-GOSISDBHSA-N 1 1 344.842 3.769 20 30 EHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000794392985 1135047846 /nfs/dbraw/zinc/04/78/46/1135047846.db2.gz MDHDFDBNAGSPMT-WMLDXEAASA-N 1 1 330.428 3.847 20 30 EHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000794392985 1135047850 /nfs/dbraw/zinc/04/78/50/1135047850.db2.gz MDHDFDBNAGSPMT-WMLDXEAASA-N 1 1 330.428 3.847 20 30 EHEDMO CCCCCCC[C@H](C)NC(=O)NCC[NH+]1CCC(F)(F)CC1 ZINC001192949929 1135074854 /nfs/dbraw/zinc/07/48/54/1135074854.db2.gz SGFYLPVUQMXBGS-HNNXBMFYSA-N 1 1 333.467 3.766 20 30 EHEDMO Cc1c2ccccc2sc1[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC001193142713 1135108751 /nfs/dbraw/zinc/10/87/51/1135108751.db2.gz ZRKIUKUFPLKIRX-FZKQIMNGSA-N 1 1 349.459 3.959 20 30 EHEDMO C#CCC1(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCCCC1 ZINC001129828834 1135168369 /nfs/dbraw/zinc/16/83/69/1135168369.db2.gz ORMRGHQGMXIWFH-IBGZPJMESA-N 1 1 338.495 3.693 20 30 EHEDMO C#CCC1(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCCCC1 ZINC001129828834 1135168372 /nfs/dbraw/zinc/16/83/72/1135168372.db2.gz ORMRGHQGMXIWFH-IBGZPJMESA-N 1 1 338.495 3.693 20 30 EHEDMO CCCCCCCOC(=O)N1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001194005055 1135213281 /nfs/dbraw/zinc/21/32/81/1135213281.db2.gz HZDDEEWVVHSATR-UHFFFAOYSA-N 1 1 340.508 3.669 20 30 EHEDMO C#C[C@@](C)(CC)[NH2+]Cc1ncc(-c2cccc(Br)c2)o1 ZINC001194505701 1135279976 /nfs/dbraw/zinc/27/99/76/1135279976.db2.gz UAHSYJQLDHQMSE-INIZCTEOSA-N 1 1 333.229 3.996 20 30 EHEDMO CCCCCCCCOC(=O)Nc1ncccc1N1CC[NH+](C)CC1 ZINC001194735705 1135308387 /nfs/dbraw/zinc/30/83/87/1135308387.db2.gz XKVIZSZHFOPZPS-UHFFFAOYSA-N 1 1 348.491 3.742 20 30 EHEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(Br)c1 ZINC001137634780 1135323643 /nfs/dbraw/zinc/32/36/43/1135323643.db2.gz ZJFJCLCZLUZEOK-BETUJISGSA-N 1 1 341.199 3.798 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(Br)c1 ZINC001137634780 1135323646 /nfs/dbraw/zinc/32/36/46/1135323646.db2.gz ZJFJCLCZLUZEOK-BETUJISGSA-N 1 1 341.199 3.798 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)OCC(C)(C)C#N ZINC000805913951 1135348861 /nfs/dbraw/zinc/34/88/61/1135348861.db2.gz VUFNWJVJIUSVLU-MRXNPFEDSA-N 1 1 344.455 3.646 20 30 EHEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)ccc1Cl ZINC001195280660 1135404150 /nfs/dbraw/zinc/40/41/50/1135404150.db2.gz WEHZQQVRDMLSLH-ARFHVFGLSA-N 1 1 347.890 3.871 20 30 EHEDMO C[N@H+]1CCN(Cc2cc(Cl)cc(C#N)c2)[C@H](Cc2ccccc2)C1 ZINC001195797656 1135471699 /nfs/dbraw/zinc/47/16/99/1135471699.db2.gz KCRLTCGLZUOKCM-HXUWFJFHSA-N 1 1 339.870 3.570 20 30 EHEDMO COC(=O)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@H]2CCCC[C@H]12 ZINC001195902749 1135488504 /nfs/dbraw/zinc/48/85/04/1135488504.db2.gz OMPKWZIKOIHBII-LMMKCTJWSA-N 1 1 345.870 3.745 20 30 EHEDMO COC(=O)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@H]2CCCC[C@H]12 ZINC001195902749 1135488505 /nfs/dbraw/zinc/48/85/05/1135488505.db2.gz OMPKWZIKOIHBII-LMMKCTJWSA-N 1 1 345.870 3.745 20 30 EHEDMO COc1ccc(O)c(/C=N/C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000747362362 1135501549 /nfs/dbraw/zinc/50/15/49/1135501549.db2.gz ZBRGBIFSDYENAI-RVZJCZPVSA-N 1 1 344.480 3.793 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)C[C@H]2CC2(C)C)c1 ZINC001196460037 1135569776 /nfs/dbraw/zinc/56/97/76/1135569776.db2.gz WHFLBDHYGNIWBK-QZTJIDSGSA-N 1 1 341.499 3.917 20 30 EHEDMO C#CCCC[N@@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000808786179 1135737161 /nfs/dbraw/zinc/73/71/61/1135737161.db2.gz JFDGLNOVEPDFKX-HNNXBMFYSA-N 1 1 333.781 3.521 20 30 EHEDMO CCCCCCCNC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001131505393 1135760301 /nfs/dbraw/zinc/76/03/01/1135760301.db2.gz MCZPYHXXZDEHEQ-ROUUACIJSA-N 1 1 346.515 3.996 20 30 EHEDMO C#C[C@H]([NH2+]Cc1cc2ccc(SC)cc2nc1Cl)[C@@H]1CCCO1 ZINC000775807687 1135762331 /nfs/dbraw/zinc/76/23/31/1135762331.db2.gz URFWDYUBAFKFEG-RDJZCZTQSA-N 1 1 346.883 3.881 20 30 EHEDMO CCCCCC[N@H+](Cc1ccco1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC001198516814 1135829954 /nfs/dbraw/zinc/82/99/54/1135829954.db2.gz DFURNGPXNWZTHN-INIZCTEOSA-N 1 1 331.460 3.613 20 30 EHEDMO CCCCCC[N@@H+](Cc1ccco1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC001198516814 1135829958 /nfs/dbraw/zinc/82/99/58/1135829958.db2.gz DFURNGPXNWZTHN-INIZCTEOSA-N 1 1 331.460 3.613 20 30 EHEDMO C#Cc1ccc(C[NH2+][C@@H](CCO)c2ccccc2Br)cc1 ZINC000809638130 1135864265 /nfs/dbraw/zinc/86/42/65/1135864265.db2.gz ZBBMXVZJVJLIBL-SFHVURJKSA-N 1 1 344.252 3.644 20 30 EHEDMO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1C[C@@H](C)CCC=C(C)C ZINC001201490886 1136028377 /nfs/dbraw/zinc/02/83/77/1136028377.db2.gz PKTAQLPTAUHYDZ-PKOBYXMFSA-N 1 1 331.504 3.904 20 30 EHEDMO CC[N@H+]1CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)[C@H](C)C1 ZINC001201571877 1136042486 /nfs/dbraw/zinc/04/24/86/1136042486.db2.gz JPFYNCLSQJHKST-GOSISDBHSA-N 1 1 347.462 3.644 20 30 EHEDMO CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001201777192 1136065459 /nfs/dbraw/zinc/06/54/59/1136065459.db2.gz SKMOXBTXIGGKCA-PKOBYXMFSA-N 1 1 332.463 3.942 20 30 EHEDMO CCCCCCC[N@@H+]1CCn2c(Cc3ccc(F)cc3)nnc2C1 ZINC001201787726 1136066336 /nfs/dbraw/zinc/06/63/36/1136066336.db2.gz IWNVQDAPXRRPNF-UHFFFAOYSA-N 1 1 330.451 3.794 20 30 EHEDMO CCCCCCC[N@H+]1CCn2c(Cc3ccc(F)cc3)nnc2C1 ZINC001201787726 1136066338 /nfs/dbraw/zinc/06/63/38/1136066338.db2.gz IWNVQDAPXRRPNF-UHFFFAOYSA-N 1 1 330.451 3.794 20 30 EHEDMO CCCCCCCCCC[N@H+]1CC[C@H]2[C@H]1CC(=O)N2c1cnn(C)c1 ZINC001201852959 1136066823 /nfs/dbraw/zinc/06/68/23/1136066823.db2.gz UWBCOHQOQBIHKS-RBUKOAKNSA-N 1 1 346.519 3.740 20 30 EHEDMO CCCCCCCCC[N@H+]1C[C@@H]2C[C@@H](Cc3nc(C)no3)O[C@@H]2C1 ZINC001201838670 1136069015 /nfs/dbraw/zinc/06/90/15/1136069015.db2.gz BPIIRCHBWVCXOW-OKZBNKHCSA-N 1 1 335.492 3.760 20 30 EHEDMO CCCCCCCC[N@H+]1CCC[C@H]1C(=O)NC(=O)OC(C)(C)C ZINC001201840229 1136069777 /nfs/dbraw/zinc/06/97/77/1136069777.db2.gz PPEZPKWDTHTMHQ-HNNXBMFYSA-N 1 1 326.481 3.863 20 30 EHEDMO Cc1cc(CNC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)ccc1C#N ZINC001202101227 1136094279 /nfs/dbraw/zinc/09/42/79/1136094279.db2.gz GAYRGWAAIHWEHU-QFIPXVFZSA-N 1 1 333.479 3.867 20 30 EHEDMO Cc1cc(CNC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC001202101227 1136094282 /nfs/dbraw/zinc/09/42/82/1136094282.db2.gz GAYRGWAAIHWEHU-QFIPXVFZSA-N 1 1 333.479 3.867 20 30 EHEDMO C[N@@H+](Cc1ccccc1)C1CCC(=NNC[C@@H]2CCSC2)CC1 ZINC000811658998 1136114637 /nfs/dbraw/zinc/11/46/37/1136114637.db2.gz QYMRSIALQLSZGJ-KKFHFHRHSA-N 1 1 331.529 3.760 20 30 EHEDMO Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+]OC/C=C/Cl ZINC000811668860 1136120381 /nfs/dbraw/zinc/12/03/81/1136120381.db2.gz KOPLIVCDXZANKJ-LMFUVNESSA-N 1 1 344.846 3.884 20 30 EHEDMO Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)cc1 ZINC001202439990 1136143680 /nfs/dbraw/zinc/14/36/80/1136143680.db2.gz KMSYXROLODHSPG-UHFFFAOYSA-N 1 1 348.450 3.653 20 30 EHEDMO C#C[C@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1ccc(F)cc1 ZINC000812792907 1136251751 /nfs/dbraw/zinc/25/17/51/1136251751.db2.gz KSOSZMYKKAXETQ-SFHVURJKSA-N 1 1 325.383 3.935 20 30 EHEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812847780 1136259507 /nfs/dbraw/zinc/25/95/07/1136259507.db2.gz DIEVXYFFZRGEMT-DYESRHJHSA-N 1 1 338.451 3.771 20 30 EHEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812847781 1136259684 /nfs/dbraw/zinc/25/96/84/1136259684.db2.gz DIEVXYFFZRGEMT-LAUBAEHRSA-N 1 1 338.451 3.771 20 30 EHEDMO C=CCC[C@@H]([NH2+]Cc1ccc(Cl)c(C(=O)OC)n1)c1ccco1 ZINC000850513808 1136274592 /nfs/dbraw/zinc/27/45/92/1136274592.db2.gz GWOQXTDLGVGKDC-CQSZACIVSA-N 1 1 334.803 3.912 20 30 EHEDMO C[C@H](N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(OCC#N)cc1 ZINC000850538610 1136282032 /nfs/dbraw/zinc/28/20/32/1136282032.db2.gz ISHZCASJRZBFCK-FUHWJXTLSA-N 1 1 327.472 3.647 20 30 EHEDMO C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1)c1ccc(OCC#N)cc1 ZINC000850538610 1136282033 /nfs/dbraw/zinc/28/20/33/1136282033.db2.gz ISHZCASJRZBFCK-FUHWJXTLSA-N 1 1 327.472 3.647 20 30 EHEDMO C=CC[C@@H]1[N@@H+](C[C@H](O)P(=O)(OCC)OCC)CCCC1(C)C ZINC000851988857 1136425447 /nfs/dbraw/zinc/42/54/47/1136425447.db2.gz CVTNONMNKVSYMD-LSDHHAIUSA-N 1 1 333.409 3.638 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852307309 1136447421 /nfs/dbraw/zinc/44/74/21/1136447421.db2.gz UGYUUHABKXXECC-UHFFFAOYSA-N 1 1 331.460 3.602 20 30 EHEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000852333415 1136450111 /nfs/dbraw/zinc/45/01/11/1136450111.db2.gz LTNVOMOMQBLMSR-IBGZPJMESA-N 1 1 325.843 3.835 20 30 EHEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000852333415 1136450112 /nfs/dbraw/zinc/45/01/12/1136450112.db2.gz LTNVOMOMQBLMSR-IBGZPJMESA-N 1 1 325.843 3.835 20 30 EHEDMO OC1CCN(c2ccc(C=[NH+]Nc3cccc(Cl)c3)cc2)CC1 ZINC000853259107 1136522503 /nfs/dbraw/zinc/52/25/03/1136522503.db2.gz PUTOMCIHBXOAQI-UHFFFAOYSA-N 1 1 329.831 3.747 20 30 EHEDMO C[C@H]1C(=NN[C@@H]2CCOC(C)(C)C2)CCC[N@H+]1Cc1ccccc1 ZINC000814908555 1136523705 /nfs/dbraw/zinc/52/37/05/1136523705.db2.gz RAZWTDVFGQVSLO-FUHWJXTLSA-N 1 1 329.488 3.574 20 30 EHEDMO C[C@H]1C(=NN[C@@H]2CCOC(C)(C)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000814908555 1136523709 /nfs/dbraw/zinc/52/37/09/1136523709.db2.gz RAZWTDVFGQVSLO-FUHWJXTLSA-N 1 1 329.488 3.574 20 30 EHEDMO C#Cc1cccnc1NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000853464802 1136534565 /nfs/dbraw/zinc/53/45/65/1136534565.db2.gz ZFQZIOMLGWBDJC-MAUKXSAKSA-N 1 1 343.833 3.960 20 30 EHEDMO CCOc1ccc(N[NH+]=Cc2ccc(N(CC)CCO)cc2C)cc1 ZINC000814984866 1136535153 /nfs/dbraw/zinc/53/51/53/1136535153.db2.gz KFHVNHPYAAYUCH-UHFFFAOYSA-N 1 1 341.455 3.658 20 30 EHEDMO C#CC[N@@H+](Cc1ccnc(Br)c1)[C@H]1CCc2ccccc21 ZINC000815023199 1136538773 /nfs/dbraw/zinc/53/87/73/1136538773.db2.gz MKDZYDDMPLFACP-KRWDZBQOSA-N 1 1 341.252 3.967 20 30 EHEDMO C#CC[N@H+](Cc1ccnc(Br)c1)[C@H]1CCc2ccccc21 ZINC000815023199 1136538775 /nfs/dbraw/zinc/53/87/75/1136538775.db2.gz MKDZYDDMPLFACP-KRWDZBQOSA-N 1 1 341.252 3.967 20 30 EHEDMO C=C(C)C[N@H+](C)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000815087545 1136549575 /nfs/dbraw/zinc/54/95/75/1136549575.db2.gz JVIPEVJWXXYZAL-CQSZACIVSA-N 1 1 332.669 3.818 20 30 EHEDMO N#Cc1cccc(COC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1F ZINC000815444877 1136596431 /nfs/dbraw/zinc/59/64/31/1136596431.db2.gz MERHHVYQTAJDAM-KRWDZBQOSA-N 1 1 330.403 3.538 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)c1ccc(C#N)s1 ZINC000816453719 1136717356 /nfs/dbraw/zinc/71/73/56/1136717356.db2.gz UAXAPMYCEAGMEW-WMLDXEAASA-N 1 1 340.448 3.687 20 30 EHEDMO CC(C)(CCC#N)C[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000339000585 1136830729 /nfs/dbraw/zinc/83/07/29/1136830729.db2.gz KIPUXIUYDRXFAT-UHFFFAOYSA-N 1 1 337.261 3.973 20 30 EHEDMO CC(C)(CCC#N)C[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000339000585 1136830733 /nfs/dbraw/zinc/83/07/33/1136830733.db2.gz KIPUXIUYDRXFAT-UHFFFAOYSA-N 1 1 337.261 3.973 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000817919735 1136846190 /nfs/dbraw/zinc/84/61/90/1136846190.db2.gz VIJHZFXEGBUQBI-NZSAHSFTSA-N 1 1 329.488 3.768 20 30 EHEDMO Cn1cc(N=NC[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000857210128 1136854222 /nfs/dbraw/zinc/85/42/22/1136854222.db2.gz VFWYYIRZXXHYGI-FQEVSTJZSA-N 1 1 339.487 3.756 20 30 EHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN=Nc1ncc(Cl)cn1 ZINC000857221086 1136854788 /nfs/dbraw/zinc/85/47/88/1136854788.db2.gz UHXLBNWKONUVLD-UHFFFAOYSA-N 1 1 331.851 3.686 20 30 EHEDMO N#CC[C@@H]1CCC[N@H+]([C@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170886225 1136858286 /nfs/dbraw/zinc/85/82/86/1136858286.db2.gz PPHSUSVQTSKOGP-GUYCJALGSA-N 1 1 333.273 3.932 20 30 EHEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000859252702 1137009633 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ZINC001172359311 1137554573 /nfs/dbraw/zinc/55/45/73/1137554573.db2.gz VLDFYCYLAZZQBF-SJORKVTESA-N 1 1 336.524 3.983 20 30 EHEDMO C=CCOC[C@H]1C[N@@H+]([C@H](CC)CC(C)C)Cc2nnn(CC3CC3)c21 ZINC001172402909 1137555291 /nfs/dbraw/zinc/55/52/91/1137555291.db2.gz PMZRCUNOUASRTG-QZTJIDSGSA-N 1 1 346.519 3.615 20 30 EHEDMO C=CCOC[C@H]1C[N@H+]([C@H](CC)CC(C)C)Cc2nnn(CC3CC3)c21 ZINC001172402909 1137555292 /nfs/dbraw/zinc/55/52/92/1137555292.db2.gz PMZRCUNOUASRTG-QZTJIDSGSA-N 1 1 346.519 3.615 20 30 EHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(CCc2ccc(OC(F)F)cc2)no1 ZINC000872175090 1137575203 /nfs/dbraw/zinc/57/52/03/1137575203.db2.gz NYPGPZRJIPIBEA-LBPRGKRZSA-N 1 1 343.761 3.599 20 30 EHEDMO C#C[C@H](NC(=O)NCc1ccccc1C[N@H+](C)C(C)C)c1ccccc1 ZINC000825693024 1137606543 /nfs/dbraw/zinc/60/65/43/1137606543.db2.gz QCCIVXFSXUEGRD-NRFANRHFSA-N 1 1 349.478 3.701 20 30 EHEDMO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc3nccnc3c2)C1 ZINC001137089832 1137633772 /nfs/dbraw/zinc/63/37/72/1137633772.db2.gz APKMFXZSHFINIU-SFHVURJKSA-N 1 1 344.418 3.545 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)c1 ZINC000876663537 1137658506 /nfs/dbraw/zinc/65/85/06/1137658506.db2.gz XIFPRFJXOCGHEM-MSOLQXFVSA-N 1 1 341.842 3.695 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)c1 ZINC000876663537 1137658507 /nfs/dbraw/zinc/65/85/07/1137658507.db2.gz XIFPRFJXOCGHEM-MSOLQXFVSA-N 1 1 341.842 3.695 20 30 EHEDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](C)CCC#N ZINC000876794151 1137661499 /nfs/dbraw/zinc/66/14/99/1137661499.db2.gz NKJJAAOQZOCLQM-LBPRGKRZSA-N 1 1 325.250 3.916 20 30 EHEDMO N#Cc1cnc(Cl)c(C[NH2+]Cc2ccnc(OC3CCCC3)c2)c1 ZINC000876928919 1137665498 /nfs/dbraw/zinc/66/54/98/1137665498.db2.gz QLSIFSRLWCGXGW-UHFFFAOYSA-N 1 1 342.830 3.613 20 30 EHEDMO CCCCCn1cc(C[NH2+]Cc2cc(C#N)cnc2Cl)c(C)n1 ZINC000877126748 1137670793 /nfs/dbraw/zinc/67/07/93/1137670793.db2.gz RVSKZMZYFMJPPL-UHFFFAOYSA-N 1 1 331.851 3.592 20 30 EHEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)cc1 ZINC001137119542 1137674839 /nfs/dbraw/zinc/67/48/39/1137674839.db2.gz UWZGZWCJQMKSNW-QGZVFWFLSA-N 1 1 344.361 3.520 20 30 EHEDMO C#CCCCCCC[N@@H+]1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 ZINC000877489230 1137678156 /nfs/dbraw/zinc/67/81/56/1137678156.db2.gz LPQMAKBCQHVNFA-OAHLLOKOSA-N 1 1 334.485 3.959 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000877491929 1137678313 /nfs/dbraw/zinc/67/83/13/1137678313.db2.gz YQEBTKULYFGOBW-MJGOQNOKSA-N 1 1 343.471 3.565 20 30 EHEDMO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877503324 1137678918 /nfs/dbraw/zinc/67/89/18/1137678918.db2.gz IYNCTYJLDYTVMV-HNNXBMFYSA-N 1 1 331.778 3.531 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)cc1 ZINC000877821180 1137691767 /nfs/dbraw/zinc/69/17/67/1137691767.db2.gz LKSGBGHYBLWUIV-HNNXBMFYSA-N 1 1 326.362 3.641 20 30 EHEDMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CC2(CO1)CCOCC2 ZINC000877902888 1137694831 /nfs/dbraw/zinc/69/48/31/1137694831.db2.gz HTGLEDXKXXARFO-AWEZNQCLSA-N 1 1 341.904 3.975 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000878013934 1137699524 /nfs/dbraw/zinc/69/95/24/1137699524.db2.gz GMMOGBPQPWXGGM-IRLDBZIGSA-N 1 1 332.447 3.917 20 30 EHEDMO C[N@@H+](CC1(CC#N)CC1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000878294047 1137710136 /nfs/dbraw/zinc/71/01/36/1137710136.db2.gz YUVPUKCOFFUFDO-XYPWUTKMSA-N 1 1 333.476 3.543 20 30 EHEDMO CC1(C)C[C@@H](C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C(C)(C)O1 ZINC000878322651 1137711007 /nfs/dbraw/zinc/71/10/07/1137711007.db2.gz LQBZVKSNKHCBJM-ROUUACIJSA-N 1 1 328.456 3.525 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccccc1OC(C)C)C2 ZINC001137138332 1137729676 /nfs/dbraw/zinc/72/96/76/1137729676.db2.gz XLYFITWALAZKCK-FPOVZHCZSA-N 1 1 345.483 3.800 20 30 EHEDMO N#Cc1ccccc1NC1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000878962724 1137733674 /nfs/dbraw/zinc/73/36/74/1137733674.db2.gz WGYNAGWAEXOKFW-UHFFFAOYSA-N 1 1 326.831 3.683 20 30 EHEDMO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879434755 1137747668 /nfs/dbraw/zinc/74/76/68/1137747668.db2.gz NIZUMKGVWZXDAK-ZDUSSCGKSA-N 1 1 338.436 3.905 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2CCC(C)(C)C#N)C1 ZINC000879700159 1137755621 /nfs/dbraw/zinc/75/56/21/1137755621.db2.gz FTJMLCPNYBJABI-HOTGVXAUSA-N 1 1 335.492 3.648 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2CCC(C)(C)C#N)C1 ZINC000879700158 1137755632 /nfs/dbraw/zinc/75/56/32/1137755632.db2.gz FTJMLCPNYBJABI-CVEARBPZSA-N 1 1 335.492 3.648 20 30 EHEDMO N#Cc1cccc(OC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)c1 ZINC000104713715 1137879164 /nfs/dbraw/zinc/87/91/64/1137879164.db2.gz DCPOOFHNRKOCKT-UHFFFAOYSA-N 1 1 335.382 3.612 20 30 EHEDMO C=CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC001202577766 1137880667 /nfs/dbraw/zinc/88/06/67/1137880667.db2.gz IPWBKPXAKZBLNG-NHCUHLMSSA-N 1 1 349.478 3.530 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000108355927 1137889309 /nfs/dbraw/zinc/88/93/09/1137889309.db2.gz SFUJTMGMOPCHGP-HNNXBMFYSA-N 1 1 331.485 3.751 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000133646501 1137904667 /nfs/dbraw/zinc/90/46/67/1137904667.db2.gz ILLGNIHGKQBEKJ-QGZVFWFLSA-N 1 1 335.451 3.588 20 30 EHEDMO CC[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000331422728 1137907672 /nfs/dbraw/zinc/90/76/72/1137907672.db2.gz RIGTWXDVMVNUOK-MRXNPFEDSA-N 1 1 342.487 3.905 20 30 EHEDMO CC[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)CC1CC1 ZINC000112983755 1137911001 /nfs/dbraw/zinc/91/10/01/1137911001.db2.gz FRBGFYBSNROKGE-AWEZNQCLSA-N 1 1 331.485 3.751 20 30 EHEDMO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000331744756 1137918970 /nfs/dbraw/zinc/91/89/70/1137918970.db2.gz XDPOMTMOSDRWJJ-HNAYVOBHSA-N 1 1 325.456 3.533 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000121540058 1137958721 /nfs/dbraw/zinc/95/87/21/1137958721.db2.gz SNCQKFVIXSJSIC-APWZRJJASA-N 1 1 343.471 3.590 20 30 EHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1 ZINC000134783397 1137960783 /nfs/dbraw/zinc/96/07/83/1137960783.db2.gz YXHFRZFMHCZSCB-QUCCMNQESA-N 1 1 342.389 3.925 20 30 EHEDMO N#CC1(C[C@H](O)C[N@@H+](Cc2ccco2)Cc2cccs2)CCC1 ZINC000885933330 1138026342 /nfs/dbraw/zinc/02/63/42/1138026342.db2.gz QQRNENPYFNIXKW-HNNXBMFYSA-N 1 1 330.453 3.788 20 30 EHEDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885959135 1138028527 /nfs/dbraw/zinc/02/85/27/1138028527.db2.gz TVFCMZARMUVNQH-HNNXBMFYSA-N 1 1 326.362 3.582 20 30 EHEDMO C[C@@H]1SCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)[C@@H]1c1ccccc1 ZINC000886014040 1138032206 /nfs/dbraw/zinc/03/22/06/1138032206.db2.gz BGVOPWBROKETCE-SZMVWBNQSA-N 1 1 330.497 3.610 20 30 EHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CCC1 ZINC000886296949 1138065279 /nfs/dbraw/zinc/06/52/79/1138065279.db2.gz FMWIFDDQQRBWKX-HZPDHXFCSA-N 1 1 334.410 3.589 20 30 EHEDMO N#CC1(C[C@H](O)C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)CCC1 ZINC000886300441 1138065764 /nfs/dbraw/zinc/06/57/64/1138065764.db2.gz IAJFRXJCMJZEBR-AWEZNQCLSA-N 1 1 338.373 3.508 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000886353095 1138070113 /nfs/dbraw/zinc/07/01/13/1138070113.db2.gz BJTIVAZTRSMKOP-GFCCVEGCSA-N 1 1 335.329 3.601 20 30 EHEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@H](c2ccco2)C1 ZINC000072905246 1138108938 /nfs/dbraw/zinc/10/89/38/1138108938.db2.gz DQSWVNLORZQOAL-YJBOKZPZSA-N 1 1 337.423 3.953 20 30 EHEDMO Cc1csc(C[C@@H]2CCC[N@@H+](CCCC3(C#N)CCOCC3)C2)n1 ZINC000886691324 1138116286 /nfs/dbraw/zinc/11/62/86/1138116286.db2.gz BLJNFYWFUPPVHN-KRWDZBQOSA-N 1 1 347.528 3.807 20 30 EHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3ccccc3)o2)cc1 ZINC000075588006 1138128775 /nfs/dbraw/zinc/12/87/75/1138128775.db2.gz WTCGSBLDUQWORP-GOSISDBHSA-N 1 1 330.391 3.945 20 30 EHEDMO C=CCC1(O)CC[NH+]([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000886759752 1138133834 /nfs/dbraw/zinc/13/38/34/1138133834.db2.gz OOKPBVAQPYHJPW-CYBMUJFWSA-N 1 1 347.846 3.854 20 30 EHEDMO C=CCC1(O)CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000886759565 1138133836 /nfs/dbraw/zinc/13/38/36/1138133836.db2.gz JROPWHVMUOCCRM-UHFFFAOYSA-N 1 1 332.831 3.898 20 30 EHEDMO C=CCC1(O)CC[NH+](Cc2coc(-c3ccc(OCC)cc3)n2)CC1 ZINC000886774559 1138138101 /nfs/dbraw/zinc/13/81/01/1138138101.db2.gz PXSCIJVOZLQQJY-UHFFFAOYSA-N 1 1 342.439 3.643 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000077283463 1138138447 /nfs/dbraw/zinc/13/84/47/1138138447.db2.gz FVRNUHSUBDZARC-ZDUSSCGKSA-N 1 1 345.468 3.712 20 30 EHEDMO O=C(Nn1cnc2ccccc21)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000080509435 1138163177 /nfs/dbraw/zinc/16/31/77/1138163177.db2.gz WLHZDJKQWCXSRJ-GOSISDBHSA-N 1 1 338.386 3.560 20 30 EHEDMO O=C(Nn1cnc2ccccc21)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000080509435 1138163178 /nfs/dbraw/zinc/16/31/78/1138163178.db2.gz WLHZDJKQWCXSRJ-GOSISDBHSA-N 1 1 338.386 3.560 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000080908074 1138164895 /nfs/dbraw/zinc/16/48/95/1138164895.db2.gz NNEFMVSWTYJCKD-LAUBAEHRSA-N 1 1 330.435 3.502 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1OC ZINC000091960544 1138223789 /nfs/dbraw/zinc/22/37/89/1138223789.db2.gz HEGXZIHNVUMBBH-WMZOPIPTSA-N 1 1 341.455 3.540 20 30 EHEDMO N#CCCn1cc(C[N@H+](CCC#N)CC2CC2)c(-c2ccccc2)n1 ZINC000093091280 1138234333 /nfs/dbraw/zinc/23/43/33/1138234333.db2.gz SVRWUKZSCNODIV-UHFFFAOYSA-N 1 1 333.439 3.589 20 30 EHEDMO N#CCCn1cc(C[N@@H+](CCC#N)CC2CC2)c(-c2ccccc2)n1 ZINC000093091280 1138234335 /nfs/dbraw/zinc/23/43/35/1138234335.db2.gz SVRWUKZSCNODIV-UHFFFAOYSA-N 1 1 333.439 3.589 20 30 EHEDMO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3cnccc3Cl)C2)cc1 ZINC001137240911 1138240073 /nfs/dbraw/zinc/24/00/73/1138240073.db2.gz YRPKLIQDNAKWOS-KRWDZBQOSA-N 1 1 327.815 3.650 20 30 EHEDMO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3cnccc3Cl)C2)cc1 ZINC001137240911 1138240075 /nfs/dbraw/zinc/24/00/75/1138240075.db2.gz YRPKLIQDNAKWOS-KRWDZBQOSA-N 1 1 327.815 3.650 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc(N(C)CCC#N)cc1 ZINC000093707244 1138240482 /nfs/dbraw/zinc/24/04/82/1138240482.db2.gz RIAIVUGVHKFWRV-UHFFFAOYSA-N 1 1 341.455 3.587 20 30 EHEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)ccc1F ZINC000121980803 1138252945 /nfs/dbraw/zinc/25/29/45/1138252945.db2.gz XYHHDWFJZCZOMS-RDJZCZTQSA-N 1 1 330.428 3.847 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000123045120 1138265715 /nfs/dbraw/zinc/26/57/15/1138265715.db2.gz WYGBPLRJJAEIDU-HKUYNNGSSA-N 1 1 339.483 3.593 20 30 EHEDMO CC[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000125279687 1138304691 /nfs/dbraw/zinc/30/46/91/1138304691.db2.gz XTSMZHLXFWBEAE-GJZGRUSLSA-N 1 1 331.485 3.751 20 30 EHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)C[C@H](C)C#N)c1 ZINC000264169963 1138433049 /nfs/dbraw/zinc/43/30/49/1138433049.db2.gz VRTLHODELIKFTM-OAHLLOKOSA-N 1 1 339.443 3.678 20 30 EHEDMO COCc1ccc([C@@H]2CCC[N@H+]2CCOc2cccc(C#N)c2)o1 ZINC000131000247 1138488900 /nfs/dbraw/zinc/48/89/00/1138488900.db2.gz JMOHGCDLKGBEOH-SFHVURJKSA-N 1 1 326.396 3.514 20 30 EHEDMO C=CCC[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000131056647 1138493626 /nfs/dbraw/zinc/49/36/26/1138493626.db2.gz VWVMOJOXGIPGRR-UFYCRDLUSA-N 1 1 341.499 3.820 20 30 EHEDMO N#CCOc1ccc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000264524006 1138546730 /nfs/dbraw/zinc/54/67/30/1138546730.db2.gz BIIWUVNCYBDOSP-SFHVURJKSA-N 1 1 342.464 3.832 20 30 EHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000134142983 1138674682 /nfs/dbraw/zinc/67/46/82/1138674682.db2.gz FMJQDGRBMCEHFY-MAUKXSAKSA-N 1 1 343.471 3.683 20 30 EHEDMO N#Cc1cccc(COc2cccc(C[NH2+]Cc3nccs3)c2)c1 ZINC000338192545 1138781863 /nfs/dbraw/zinc/78/18/63/1138781863.db2.gz SRCNDJZRGZLUCK-UHFFFAOYSA-N 1 1 335.432 3.884 20 30 EHEDMO C=CC[N@H+](CCCO[C@H]1CCCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000338236993 1138797144 /nfs/dbraw/zinc/79/71/44/1138797144.db2.gz WJSARESWVZMXIZ-SFHVURJKSA-N 1 1 334.416 3.516 20 30 EHEDMO Cc1ccc(NC(=[NH2+])NC[C@H](c2cccs2)N2CCCC2)cc1C ZINC000104155682 1139196599 /nfs/dbraw/zinc/19/65/99/1139196599.db2.gz IBMSWVPIUQDYHI-QGZVFWFLSA-N 1 1 342.512 3.929 20 30 EHEDMO N#Cc1ccc(-c2nnc(C[NH2+]C3(c4ccccc4)CCC3)o2)cc1 ZINC000175522083 1139497105 /nfs/dbraw/zinc/49/71/05/1139497105.db2.gz JPNZSPXTRGLZSI-UHFFFAOYSA-N 1 1 330.391 3.777 20 30 EHEDMO CC[C@@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1ccc(F)cc1F ZINC000179625560 1139769240 /nfs/dbraw/zinc/76/92/40/1139769240.db2.gz LOZJFHVWAVGCTN-MRXNPFEDSA-N 1 1 347.365 3.726 20 30 EHEDMO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2cc3ccccc3o2)c(C#N)c1C ZINC000182632035 1139983654 /nfs/dbraw/zinc/98/36/54/1139983654.db2.gz ZCCHCFHNMKAWJI-LBPRGKRZSA-N 1 1 337.379 3.804 20 30 EHEDMO COc1ccc(O)c(/C=N/C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000777401246 1140075731 /nfs/dbraw/zinc/07/57/31/1140075731.db2.gz MRQWYKPTAQFWRT-XOWGOQOESA-N 1 1 338.451 3.874 20 30 EHEDMO C#CCC(C)(C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000185879083 1140175070 /nfs/dbraw/zinc/17/50/70/1140175070.db2.gz CIDXOHOXHTUCMM-UXHICEINSA-N 1 1 338.495 3.549 20 30 EHEDMO CC#CCCCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000185879168 1140175222 /nfs/dbraw/zinc/17/52/22/1140175222.db2.gz ZYKVZLJJCCBBBG-RTWAWAEBSA-N 1 1 338.495 3.693 20 30 EHEDMO C=CCC[C@H](C(=O)N(C)CCCn1cc[nH+]c1C)c1ccccc1 ZINC000187052628 1140235541 /nfs/dbraw/zinc/23/55/41/1140235541.db2.gz SFQHBZLQBWSOOC-IBGZPJMESA-N 1 1 325.456 3.790 20 30 EHEDMO CC[N@@H+](CCCCCS(=O)(=O)CC)[C@H](C)c1ccc(C#N)cc1 ZINC000190425495 1140403402 /nfs/dbraw/zinc/40/34/02/1140403402.db2.gz NCNHINWYNGIFNV-MRXNPFEDSA-N 1 1 336.501 3.546 20 30 EHEDMO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1cc(C#N)n(C)c1 ZINC000190771274 1140417876 /nfs/dbraw/zinc/41/78/76/1140417876.db2.gz ROQAAIIPULCYFX-QGZVFWFLSA-N 1 1 336.483 3.561 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCc1cc(C#N)n(C)c1 ZINC000190771274 1140417879 /nfs/dbraw/zinc/41/78/79/1140417879.db2.gz ROQAAIIPULCYFX-QGZVFWFLSA-N 1 1 336.483 3.561 20 30 EHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NCc2cc(C#N)n(C)c2)c1 ZINC000190831038 1140420416 /nfs/dbraw/zinc/42/04/16/1140420416.db2.gz BURDEMOCPURTIA-UHFFFAOYSA-N 1 1 333.439 3.877 20 30 EHEDMO Cn1cc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)cc1C#N ZINC000191438282 1140463863 /nfs/dbraw/zinc/46/38/63/1140463863.db2.gz SJXJDAFGLZPAHD-AEFFLSMTSA-N 1 1 343.496 3.827 20 30 EHEDMO CC[N@@H+](CCc1cccs1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266560164 1140702233 /nfs/dbraw/zinc/70/22/33/1140702233.db2.gz XFYXFJKLQFAREB-UHFFFAOYSA-N 1 1 338.436 3.734 20 30 EHEDMO CCC1(CC)CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000268038274 1140870912 /nfs/dbraw/zinc/87/09/12/1140870912.db2.gz ORKFRVOBBKXQNM-UHFFFAOYSA-N 1 1 331.485 3.753 20 30 EHEDMO C=CCOc1ccc(C[N@H+](Cc2cc(=O)c(O)co2)C(C)(C)C)cc1 ZINC000268479298 1140945720 /nfs/dbraw/zinc/94/57/20/1140945720.db2.gz KINZAWHKBCTDGQ-UHFFFAOYSA-N 1 1 343.423 3.711 20 30 EHEDMO CCCCCC(=O)NC1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000269601380 1141125197 /nfs/dbraw/zinc/12/51/97/1141125197.db2.gz WDAYHVNYKYVNFE-UHFFFAOYSA-N 1 1 346.902 3.852 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](CC)Cc1ccncc1 ZINC000271056154 1141301462 /nfs/dbraw/zinc/30/14/62/1141301462.db2.gz ZMJZAGBLJZOOHV-MRXNPFEDSA-N 1 1 343.496 3.568 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](CC)Cc1ccncc1 ZINC000271056154 1141301468 /nfs/dbraw/zinc/30/14/68/1141301468.db2.gz ZMJZAGBLJZOOHV-MRXNPFEDSA-N 1 1 343.496 3.568 20 30 EHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(OC)c(OC)c1C ZINC000348646821 1141561256 /nfs/dbraw/zinc/56/12/56/1141561256.db2.gz QAKYPAMYGKONAD-UHFFFAOYSA-N 1 1 345.439 3.676 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(OC)c(OC)c1C ZINC000348646821 1141561258 /nfs/dbraw/zinc/56/12/58/1141561258.db2.gz QAKYPAMYGKONAD-UHFFFAOYSA-N 1 1 345.439 3.676 20 30 EHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(OC)c(O)c1 ZINC000348879369 1141602378 /nfs/dbraw/zinc/60/23/78/1141602378.db2.gz SOMJUZRKPCIAIF-UHFFFAOYSA-N 1 1 329.444 3.757 20 30 EHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(OC)c(O)c1 ZINC000348879369 1141602383 /nfs/dbraw/zinc/60/23/83/1141602383.db2.gz SOMJUZRKPCIAIF-UHFFFAOYSA-N 1 1 329.444 3.757 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)c(C(F)(F)F)c1 ZINC000430151590 1014439469 /nfs/dbraw/zinc/43/94/69/1014439469.db2.gz RWSXQVBZLBYBEA-MRXNPFEDSA-N 1 1 338.373 3.826 20 30 EHEDMO C[C@@H]1C[C@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC[N@H+]1C ZINC000610209003 1014950139 /nfs/dbraw/zinc/95/01/39/1014950139.db2.gz NKDORNIZVVNWDC-FOIQADDNSA-N 1 1 348.450 3.514 20 30 EHEDMO CCOc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000126963269 1015143617 /nfs/dbraw/zinc/14/36/17/1015143617.db2.gz LTDIZJNGEAEWGL-SFTDATJTSA-N 1 1 336.435 3.827 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2cnc3ccccn23)cc1 ZINC000254993754 1015389759 /nfs/dbraw/zinc/38/97/59/1015389759.db2.gz NECHJMBKVDHCJA-KTKRTIGZSA-N 1 1 328.375 3.725 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339676128 1015505598 /nfs/dbraw/zinc/50/55/98/1015505598.db2.gz SRMYNHZXCNTEEB-RDJZCZTQSA-N 1 1 343.446 3.583 20 30 EHEDMO C#C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000890649561 1015587764 /nfs/dbraw/zinc/58/77/64/1015587764.db2.gz FCDSRRAXPCPSRQ-ZWKOTPCHSA-N 1 1 339.483 3.508 20 30 EHEDMO COC(=O)c1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)oc1C ZINC000339715055 1015589514 /nfs/dbraw/zinc/58/95/14/1015589514.db2.gz DLCMTHRYZBAREI-UHFFFAOYSA-N 1 1 326.396 3.657 20 30 EHEDMO C#CC[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccccc1 ZINC001266348773 1015831718 /nfs/dbraw/zinc/83/17/18/1015831718.db2.gz NRTINXOMMNOLSB-OALUTQOASA-N 1 1 340.854 3.824 20 30 EHEDMO C=C(C)[C@H](NC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1ccc(F)c(F)c1 ZINC000275089399 1015966303 /nfs/dbraw/zinc/96/63/03/1015966303.db2.gz ULAZACOXUCYKGD-UGSOOPFHSA-N 1 1 349.425 3.532 20 30 EHEDMO C=CCC[C@@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000275153025 1016102503 /nfs/dbraw/zinc/10/25/03/1016102503.db2.gz PWVPNBKKADEDLL-VQIMIIECSA-N 1 1 325.456 3.694 20 30 EHEDMO CC(C)(C#N)CC[NH+]1C[C@@]2(C)CN(Cc3ccccc3)C[C@]2(C)C1 ZINC000705683303 1016163747 /nfs/dbraw/zinc/16/37/47/1016163747.db2.gz DOVSDXUBWXPSGM-SFTDATJTSA-N 1 1 325.500 3.770 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)NCCc2cccc(C#N)c2)cc1)C1CC1 ZINC000340110294 1016331774 /nfs/dbraw/zinc/33/17/74/1016331774.db2.gz YXMSAKQHICVELZ-UHFFFAOYSA-N 1 1 347.462 3.515 20 30 EHEDMO C[NH+](C)[C@H](CNC(=O)Nc1cccc(C#N)c1)c1ccccc1Cl ZINC000043330114 1016341467 /nfs/dbraw/zinc/34/14/67/1016341467.db2.gz HWHGGKMTGBBFDW-QGZVFWFLSA-N 1 1 342.830 3.636 20 30 EHEDMO CC(C)(C)C1=CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000340190888 1016663573 /nfs/dbraw/zinc/66/35/73/1016663573.db2.gz JMOJOVCRRIVEDU-UHFFFAOYSA-N 1 1 325.456 3.611 20 30 EHEDMO CC(C)(C)C1=CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000340190888 1016663584 /nfs/dbraw/zinc/66/35/84/1016663584.db2.gz JMOJOVCRRIVEDU-UHFFFAOYSA-N 1 1 325.456 3.611 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H](CCC)NC(=O)c2ccccc2)no1 ZINC000904671928 1032189912 /nfs/dbraw/zinc/18/99/12/1032189912.db2.gz BTJBNLKTKOHTNE-JKSUJKDBSA-N 1 1 342.443 3.697 20 30 EHEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2cnc3cnccn32)no1 ZINC000904694836 1032196429 /nfs/dbraw/zinc/19/64/29/1032196429.db2.gz JMEHJCVLYNZAFH-ZDUSSCGKSA-N 1 1 328.420 3.530 20 30 EHEDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(CC#N)cc1Cl ZINC000584394155 1032357690 /nfs/dbraw/zinc/35/76/90/1032357690.db2.gz KUJGIGVFWIFNDM-OAHLLOKOSA-N 1 1 348.878 3.648 20 30 EHEDMO C=CCCCC[C@@H](C)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000449266413 1032413565 /nfs/dbraw/zinc/41/35/65/1032413565.db2.gz VBBLDIZWXCIQLA-GOSISDBHSA-N 1 1 343.515 3.898 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC(C)(C)CCC#N)C1 ZINC000377050925 1017291862 /nfs/dbraw/zinc/29/18/62/1017291862.db2.gz LMXYDLISFKPJSR-ROUUACIJSA-N 1 1 348.535 3.612 20 30 EHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC000599640321 1017393292 /nfs/dbraw/zinc/39/32/92/1017393292.db2.gz VIDBNYWJLBBSHN-RBBKRZOGSA-N 1 1 332.447 3.820 20 30 EHEDMO Cc1sc(NC(=O)C[N@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000177190536 1017595966 /nfs/dbraw/zinc/59/59/66/1017595966.db2.gz SWOXVAFGHBDZCP-XFJVYGCCSA-N 1 1 331.485 3.828 20 30 EHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000122369483 1017769118 /nfs/dbraw/zinc/76/91/18/1017769118.db2.gz BXNNWGKOGCOJMD-CZUORRHYSA-N 1 1 349.500 3.887 20 30 EHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000122369483 1017769127 /nfs/dbraw/zinc/76/91/27/1017769127.db2.gz BXNNWGKOGCOJMD-CZUORRHYSA-N 1 1 349.500 3.887 20 30 EHEDMO C[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1cccc(C#N)c1 ZINC000593986945 1032725151 /nfs/dbraw/zinc/72/51/51/1032725151.db2.gz LPRWWEPZFMFGRJ-ACJLOTCBSA-N 1 1 341.842 3.692 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)Cc2scnc2C)c1O ZINC000172495933 1032744518 /nfs/dbraw/zinc/74/45/18/1032744518.db2.gz PJGXPVWYYGLJIY-UHFFFAOYSA-N 1 1 332.469 3.916 20 30 EHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000377676996 1018175539 /nfs/dbraw/zinc/17/55/39/1018175539.db2.gz ILJXQDKSTZAPBT-KRWDZBQOSA-N 1 1 337.471 3.981 20 30 EHEDMO Cc1csc(C2([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)CCC2)n1 ZINC000728715188 1018428900 /nfs/dbraw/zinc/42/89/00/1018428900.db2.gz OHLDUQAEBIZSFM-AWEZNQCLSA-N 1 1 327.453 3.911 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC3(CC3(F)F)CC2)c(Br)c1 ZINC000593073683 1032769244 /nfs/dbraw/zinc/76/92/44/1032769244.db2.gz WOFHMWFBDNHRIX-UHFFFAOYSA-N 1 1 341.199 3.942 20 30 EHEDMO N#Cc1csc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000177693120 1018522201 /nfs/dbraw/zinc/52/22/01/1018522201.db2.gz XJEKZYNSHNLUHA-AWEZNQCLSA-N 1 1 331.510 3.683 20 30 EHEDMO N#Cc1csc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000177693120 1018522210 /nfs/dbraw/zinc/52/22/10/1018522210.db2.gz XJEKZYNSHNLUHA-AWEZNQCLSA-N 1 1 331.510 3.683 20 30 EHEDMO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC(C)C ZINC000330162435 1018547532 /nfs/dbraw/zinc/54/75/32/1018547532.db2.gz AIEFXIGHNKPVHU-SJORKVTESA-N 1 1 331.460 3.544 20 30 EHEDMO Cc1ccc(C#N)c(N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000580099110 1018644373 /nfs/dbraw/zinc/64/43/73/1018644373.db2.gz QOLLFNNZMMFAPN-UHFFFAOYSA-N 1 1 334.467 3.707 20 30 EHEDMO C=CC[N@H+](Cc1cccc(N(C)C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000610390249 1018700011 /nfs/dbraw/zinc/70/00/11/1018700011.db2.gz CMCALMHKXSGJAJ-UHFFFAOYSA-N 1 1 325.412 3.849 20 30 EHEDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1C ZINC000614397205 1018960841 /nfs/dbraw/zinc/96/08/41/1018960841.db2.gz BIGCXGKBLDSKKP-QGZVFWFLSA-N 1 1 336.435 3.678 20 30 EHEDMO C=CCN(CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000606704609 1032803814 /nfs/dbraw/zinc/80/38/14/1032803814.db2.gz TVUOELVDQSORJX-SFHVURJKSA-N 1 1 333.520 3.781 20 30 EHEDMO CCC[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000466488056 1019154009 /nfs/dbraw/zinc/15/40/09/1019154009.db2.gz GHADFAPJFNOIDZ-CQSZACIVSA-N 1 1 345.512 3.949 20 30 EHEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1O ZINC000580659018 1019806546 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C[C@@H](CCC#N)C[N@@H+](C)Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000895740580 1024778526 /nfs/dbraw/zinc/77/85/26/1024778526.db2.gz WSKPPCUOLATHBN-GBESFXJTSA-N 1 1 343.515 3.667 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399015607 1024779630 /nfs/dbraw/zinc/77/96/30/1024779630.db2.gz BWRJDQYEPQLRAT-XMSQKQJNSA-N 1 1 333.479 3.753 20 30 EHEDMO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(OCCCC#N)c1 ZINC000120053829 1033238927 /nfs/dbraw/zinc/23/89/27/1033238927.db2.gz ZRNNJPXVVRGIJC-UHFFFAOYSA-N 1 1 338.407 3.730 20 30 EHEDMO C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)[C@@H](C)CO1 ZINC000508026233 1024854739 /nfs/dbraw/zinc/85/47/39/1024854739.db2.gz MOHQHWYZTYYHJZ-IRXDYDNUSA-N 1 1 336.435 3.746 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)[C@@H](C)CO1 ZINC000508026233 1024854759 /nfs/dbraw/zinc/85/47/59/1024854759.db2.gz MOHQHWYZTYYHJZ-IRXDYDNUSA-N 1 1 336.435 3.746 20 30 EHEDMO C=CCC1(O)CC[NH+](Cc2cc(Cl)c(OCC)c(OC)c2)CC1 ZINC000895835735 1024901779 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20 30 EHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCCCC#N)cc2)C1 ZINC000594232798 1033250989 /nfs/dbraw/zinc/25/09/89/1033250989.db2.gz HLQVXWRTMCUONN-QGZVFWFLSA-N 1 1 327.472 3.619 20 30 EHEDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccccc2-c2ccccc2C#N)C[C@@H]1C ZINC000346765456 1025061266 /nfs/dbraw/zinc/06/12/66/1025061266.db2.gz HJKTWXGLBZEMFM-DLBZAZTESA-N 1 1 347.462 3.780 20 30 EHEDMO C=C(C(=O)N1CC2(CC[N@@H+]2C[C@H](CC)CCCC)C1)C(F)(F)F ZINC001270008145 1025125097 /nfs/dbraw/zinc/12/50/97/1025125097.db2.gz MKCXTHJGVSADOO-CQSZACIVSA-N 1 1 332.410 3.608 20 30 EHEDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)c(OC)c1 ZINC000121011775 1025199674 /nfs/dbraw/zinc/19/96/74/1025199674.db2.gz NMISWWHALMCGFR-QGZVFWFLSA-N 1 1 328.437 3.974 20 30 EHEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)c(OC)c1 ZINC000121011775 1025199684 /nfs/dbraw/zinc/19/96/84/1025199684.db2.gz NMISWWHALMCGFR-QGZVFWFLSA-N 1 1 328.437 3.974 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H](COC(F)F)C2)ccc1OC ZINC000521115953 1025220013 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3.600 20 30 EHEDMO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046527498 1033274677 /nfs/dbraw/zinc/27/46/77/1033274677.db2.gz VPHWVBKCXKXZKG-HXUWFJFHSA-N 1 1 335.451 3.600 20 30 EHEDMO C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H]2CCCC[C@H]12 ZINC000515548572 1025343391 /nfs/dbraw/zinc/34/33/91/1025343391.db2.gz HVZSECYJNYSVEP-RLLQIKCJSA-N 1 1 339.483 3.834 20 30 EHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000521456717 1025393731 /nfs/dbraw/zinc/39/37/31/1025393731.db2.gz FPWVPJMLCWUAEA-JTQLQIEISA-N 1 1 348.615 3.726 20 30 EHEDMO COc1ccc(C[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)cc1C#N ZINC000134999110 1025519272 /nfs/dbraw/zinc/51/92/72/1025519272.db2.gz LMSRPKOOGXVOGQ-UHFFFAOYSA-N 1 1 348.446 3.970 20 30 EHEDMO COc1cc(C[NH2+]Cc2nc3ccccc3n2C2CC2)ccc1C#N ZINC000442835833 1025525387 /nfs/dbraw/zinc/52/53/87/1025525387.db2.gz FTAYFNVZJQCRRG-UHFFFAOYSA-N 1 1 332.407 3.541 20 30 EHEDMO COc1cc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)ccc1C#N ZINC000442882592 1025563119 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N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1F ZINC000191888484 1029114607 /nfs/dbraw/zinc/11/46/07/1029114607.db2.gz BTHXGQIWZXUMMU-UHFFFAOYSA-N 1 1 341.405 3.544 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1F ZINC000191888484 1029114615 /nfs/dbraw/zinc/11/46/15/1029114615.db2.gz BTHXGQIWZXUMMU-UHFFFAOYSA-N 1 1 341.405 3.544 20 30 EHEDMO C=C(C)C(C)(C)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000424679848 1029256136 /nfs/dbraw/zinc/25/61/36/1029256136.db2.gz LYHRXPCKHSTELQ-IYBDPMFKSA-N 1 1 330.472 3.837 20 30 EHEDMO C=C(C)C(C)(C)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000424679848 1029256147 /nfs/dbraw/zinc/25/61/47/1029256147.db2.gz LYHRXPCKHSTELQ-IYBDPMFKSA-N 1 1 330.472 3.837 20 30 EHEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000535964764 1029286866 /nfs/dbraw/zinc/28/68/66/1029286866.db2.gz UPIZQHRNPPMBLD-HXUWFJFHSA-N 1 1 347.437 4.000 20 30 EHEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1C1CCC1)c1cccc(Cl)c1 ZINC000343123608 1029314984 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C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1C2CCC1CC2 ZINC000533237574 1029522069 /nfs/dbraw/zinc/52/20/69/1029522069.db2.gz SVYWSSNPXPXBIE-WLYUNCDWSA-N 1 1 329.469 3.504 20 30 EHEDMO C=C(C)CCNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000454980461 1029543688 /nfs/dbraw/zinc/54/36/88/1029543688.db2.gz LCWCUIIBGXLTTJ-IBGZPJMESA-N 1 1 329.488 3.554 20 30 EHEDMO CCCn1cc[nH+]c1CCCN(C)c1c(C#N)cnc2ccccc21 ZINC000192236148 1029629385 /nfs/dbraw/zinc/62/93/85/1029629385.db2.gz NAYRRDRZTJEOMG-UHFFFAOYSA-N 1 1 333.439 3.782 20 30 EHEDMO C[C@H](C[N@H+](CCCC1(C#N)CCOCC1)[C@@H](C)CO)c1ccccc1 ZINC000347385587 1029719175 /nfs/dbraw/zinc/71/91/75/1029719175.db2.gz ZZYDQFCHYPCZLH-MOPGFXCFSA-N 1 1 344.499 3.573 20 30 EHEDMO CC(C)c1ccc(C[N@H+](C)CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000144720299 1029773406 /nfs/dbraw/zinc/77/34/06/1029773406.db2.gz FSEULOUMDAHVGN-UHFFFAOYSA-N 1 1 327.472 3.584 20 30 EHEDMO CC(C)c1ccc(C[N@@H+](C)CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000144720299 1029773415 /nfs/dbraw/zinc/77/34/15/1029773415.db2.gz FSEULOUMDAHVGN-UHFFFAOYSA-N 1 1 327.472 3.584 20 30 EHEDMO C=CCN(CCc1ccco1)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000272445728 1029814438 /nfs/dbraw/zinc/81/44/38/1029814438.db2.gz LSDUGZNWXGIHBL-GOSISDBHSA-N 1 1 347.503 3.674 20 30 EHEDMO CS[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000441129198 1029829811 /nfs/dbraw/zinc/82/98/11/1029829811.db2.gz VBWILNZDMCMPTF-AWEZNQCLSA-N 1 1 326.412 3.877 20 30 EHEDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000441129201 1029830100 /nfs/dbraw/zinc/83/01/00/1029830100.db2.gz VBWILNZDMCMPTF-CQSZACIVSA-N 1 1 326.412 3.877 20 30 EHEDMO CC#CCC[N@@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000156525443 1029858271 /nfs/dbraw/zinc/85/82/71/1029858271.db2.gz ZALDDDMOVOLXRH-UHFFFAOYSA-N 1 1 336.435 3.587 20 30 EHEDMO CC[NH+](CC)[C@@H](CNCc1ccc(C#N)cc1F)c1ccsc1 ZINC000343270848 1030034359 /nfs/dbraw/zinc/03/43/59/1030034359.db2.gz GRXPTYQZADGCGV-SFHVURJKSA-N 1 1 331.460 3.932 20 30 EHEDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000090004099 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C=C(C)[C@H](NC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1ccc(F)c(F)c1 ZINC000583725725 1030579050 /nfs/dbraw/zinc/57/90/50/1030579050.db2.gz BUYZOHUWTINIMK-DYVFJYSZSA-N 1 1 339.430 3.610 20 30 EHEDMO C[C@H]1OCC[C@@]1(O)C[N@@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000447931437 1030609409 /nfs/dbraw/zinc/60/94/09/1030609409.db2.gz XQUUIUTYTNQZNH-WIYYLYMNSA-N 1 1 344.499 3.749 20 30 EHEDMO C=CCOc1ccccc1C[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000093712295 1030663587 /nfs/dbraw/zinc/66/35/87/1030663587.db2.gz VFENLUZTAMEHNW-QHCPKHFHSA-N 1 1 329.465 3.621 20 30 EHEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000093712295 1030663598 /nfs/dbraw/zinc/66/35/98/1030663598.db2.gz VFENLUZTAMEHNW-QHCPKHFHSA-N 1 1 329.465 3.621 20 30 EHEDMO N#Cc1ccc(N2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)c(F)c1 ZINC000482962590 1030863879 /nfs/dbraw/zinc/86/38/79/1030863879.db2.gz OXHHMTRECCKTPV-IBGZPJMESA-N 1 1 339.389 3.646 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000190728252 1030927131 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CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)[C@H](C)C(C)C ZINC000343535450 1031299999 /nfs/dbraw/zinc/29/99/99/1031299999.db2.gz GZVVKICCRFVEKX-GOSISDBHSA-N 1 1 329.488 3.917 20 30 EHEDMO CC[N@@H+](CCc1cccs1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000343573491 1031445288 /nfs/dbraw/zinc/44/52/88/1031445288.db2.gz ZRPZUAVZUANSDK-CQSZACIVSA-N 1 1 327.453 3.511 20 30 EHEDMO N#CCC1CC[NH+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000545186605 1031476868 /nfs/dbraw/zinc/47/68/68/1031476868.db2.gz CRFUIMYNPQVOGN-UHFFFAOYSA-N 1 1 342.468 3.803 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484350832 1031553095 /nfs/dbraw/zinc/55/30/95/1031553095.db2.gz LHENLZMLXQZMLV-KBPBESRZSA-N 1 1 334.426 3.710 20 30 EHEDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CCc2ccc(C#N)cc2)c1 ZINC000129825786 1031670899 /nfs/dbraw/zinc/67/08/99/1031670899.db2.gz PNNLJCJKPWYZKN-UHFFFAOYSA-N 1 1 349.478 3.647 20 30 EHEDMO C=CC[N@@H+](CCC(=O)Nc1ccc2c(c1)OCO2)CC1CCCCC1 ZINC000484568743 1031724149 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3.631 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000567475256 1039864104 /nfs/dbraw/zinc/86/41/04/1039864104.db2.gz DRMCMEFKBHAPGP-LBPRGKRZSA-N 1 1 327.306 3.631 20 30 EHEDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000489361926 1039900202 /nfs/dbraw/zinc/90/02/02/1039900202.db2.gz TZFWBBMCIOTFBP-OLZOCXBDSA-N 1 1 333.501 3.803 20 30 EHEDMO COc1cccc(-c2noc([C@@H](C)[NH2+][C@H](C)CC(C)(C)C#N)n2)c1 ZINC000893973549 1039906958 /nfs/dbraw/zinc/90/69/58/1039906958.db2.gz WPSAEXDCLLULSR-CHWSQXEVSA-N 1 1 328.416 3.724 20 30 EHEDMO C=C(C)CN(C)C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000899122905 1040055086 /nfs/dbraw/zinc/05/50/86/1040055086.db2.gz AKKKDHHIYVQVJY-AABGKKOBSA-N 1 1 341.499 3.505 20 30 EHEDMO CC(C)([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1F ZINC000473451148 1040056455 /nfs/dbraw/zinc/05/64/55/1040056455.db2.gz BPDYYKZMRXFJPX-UHFFFAOYSA-N 1 1 345.805 3.814 20 30 EHEDMO C=CCCCCC[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000150885496 1040154594 /nfs/dbraw/zinc/15/45/94/1040154594.db2.gz FBERJOALSVEEED-QGZVFWFLSA-N 1 1 348.450 3.902 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc(OC)c1O ZINC000668630997 1040212549 /nfs/dbraw/zinc/21/25/49/1040212549.db2.gz MUGBWTDYSXADES-RBUKOAKNSA-N 1 1 345.483 3.910 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)C1CC1 ZINC000152115379 1040283135 /nfs/dbraw/zinc/28/31/35/1040283135.db2.gz QLGSZIQGARYDJD-UHFFFAOYSA-N 1 1 349.434 3.560 20 30 EHEDMO C=CCN1CC[C@H]([N@H+](C)Cc2ccccc2Oc2ccccc2)C1=O ZINC000500007995 1040303383 /nfs/dbraw/zinc/30/33/83/1040303383.db2.gz ACNQNZVTNHQPMQ-IBGZPJMESA-N 1 1 336.435 3.698 20 30 EHEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccccc2Oc2ccccc2)C1=O ZINC000500007995 1040303391 /nfs/dbraw/zinc/30/33/91/1040303391.db2.gz ACNQNZVTNHQPMQ-IBGZPJMESA-N 1 1 336.435 3.698 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H]2CN2CCCCC2)cc1 ZINC000614164395 1040320248 /nfs/dbraw/zinc/32/02/48/1040320248.db2.gz AAJPQOGSOAVAIZ-FQEVSTJZSA-N 1 1 325.500 3.938 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H]2CN2CCCCC2)cc1 ZINC000614164395 1040320268 /nfs/dbraw/zinc/32/02/68/1040320268.db2.gz AAJPQOGSOAVAIZ-FQEVSTJZSA-N 1 1 325.500 3.938 20 30 EHEDMO C[C@@H](c1cccnc1)N1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614168666 1040341822 /nfs/dbraw/zinc/34/18/22/1040341822.db2.gz OQRLDCSDPDQEKR-SFHVURJKSA-N 1 1 348.494 3.762 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(C(F)F)CC2)c(Br)c1 ZINC000481099048 1040353534 /nfs/dbraw/zinc/35/35/34/1040353534.db2.gz BTNIYRPKVKXTEL-UHFFFAOYSA-N 1 1 329.188 3.798 20 30 EHEDMO Cc1nnc(NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000511647008 1040382452 /nfs/dbraw/zinc/38/24/52/1040382452.db2.gz OKBGXZTVKJZUIQ-BEFAXECRSA-N 1 1 349.482 3.678 20 30 EHEDMO CN(C)CC[N@@H+](Cc1cccc(OCCCC#N)c1)C1CCCC1 ZINC000154622879 1040398046 /nfs/dbraw/zinc/39/80/46/1040398046.db2.gz BHJYTKJTYSGWSP-UHFFFAOYSA-N 1 1 329.488 3.675 20 30 EHEDMO C[NH+](C)CCN(Cc1cccc(OCCCC#N)c1)C1CCCC1 ZINC000154622879 1040398068 /nfs/dbraw/zinc/39/80/68/1040398068.db2.gz BHJYTKJTYSGWSP-UHFFFAOYSA-N 1 1 329.488 3.675 20 30 EHEDMO OCCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1 ZINC000486803302 1040472392 /nfs/dbraw/zinc/47/23/92/1040472392.db2.gz OXRWZKODHNICAV-UHFFFAOYSA-N 1 1 347.380 3.942 20 30 EHEDMO COc1ccccc1C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCO1 ZINC000051798451 1040512330 /nfs/dbraw/zinc/51/23/30/1040512330.db2.gz LQMLRYRUZIFZBJ-HXUWFJFHSA-N 1 1 336.435 3.748 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc(C#N)cc1Cl ZINC000486971859 1040596068 /nfs/dbraw/zinc/59/60/68/1040596068.db2.gz USKJANJUKSCIFR-KSSFIOAISA-N 1 1 340.858 3.929 20 30 EHEDMO CCc1ccc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)cc1 ZINC000433076083 1040653782 /nfs/dbraw/zinc/65/37/82/1040653782.db2.gz MLTVEDMMPXDERI-OXQOHEQNSA-N 1 1 347.462 3.937 20 30 EHEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000027558052 1040662888 /nfs/dbraw/zinc/66/28/88/1040662888.db2.gz PJMNBMDLSPDHAP-GFCCVEGCSA-N 1 1 331.416 3.780 20 30 EHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NCCC[N@H+](C)C(C)C ZINC000429853816 1040805549 /nfs/dbraw/zinc/80/55/49/1040805549.db2.gz LZZFFKMTFDIXHZ-UHFFFAOYSA-N 1 1 329.469 3.542 20 30 EHEDMO Cc1cc(C[N@H+](CCCCC#N)CC(C)C)nc(N2CCCCC2)n1 ZINC000491024054 1040868393 /nfs/dbraw/zinc/86/83/93/1040868393.db2.gz WEKIBHVGEBPRHE-UHFFFAOYSA-N 1 1 343.519 3.927 20 30 EHEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000411488351 1040902056 /nfs/dbraw/zinc/90/20/56/1040902056.db2.gz OPWOUNNKVYRBCZ-CYBMUJFWSA-N 1 1 334.366 3.616 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000411488351 1040902069 /nfs/dbraw/zinc/90/20/69/1040902069.db2.gz OPWOUNNKVYRBCZ-CYBMUJFWSA-N 1 1 334.366 3.616 20 30 EHEDMO C=C(C)[C@H]([NH2+]CC(=O)N(CC(C)C)C1CC1)c1ccc(F)c(F)c1 ZINC000481578669 1041108355 /nfs/dbraw/zinc/10/83/55/1041108355.db2.gz DNXSRUIKYJBRHZ-IBGZPJMESA-N 1 1 336.426 3.819 20 30 EHEDMO C=C(C)[C@H]([NH2+]CC(=O)NCc1ccc(C)cc1)c1ccc(F)c(F)c1 ZINC000481583453 1041114212 /nfs/dbraw/zinc/11/42/12/1041114212.db2.gz WYUAJLIWJNESNX-FQEVSTJZSA-N 1 1 344.405 3.796 20 30 EHEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000481616288 1041150658 /nfs/dbraw/zinc/15/06/58/1041150658.db2.gz PSXMLGIPMIPXHH-SFHVURJKSA-N 1 1 334.341 3.949 20 30 EHEDMO C=CCC(C)(C)CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000432092595 1041582316 /nfs/dbraw/zinc/58/23/16/1041582316.db2.gz PTOFFKSSAQZIKL-FUHWJXTLSA-N 1 1 329.488 3.723 20 30 EHEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)[C@@H]2C[C@@H](OC)C2(CC)CC)cc1 ZINC001167767338 1041605355 /nfs/dbraw/zinc/60/53/55/1041605355.db2.gz USOXPZWXYNPZPZ-RTBURBONSA-N 1 1 342.483 3.522 20 30 EHEDMO Cc1csc([C@H](C)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000181671295 1041674710 /nfs/dbraw/zinc/67/47/10/1041674710.db2.gz LXWBSFXXYZEYIB-HNNXBMFYSA-N 1 1 340.496 3.638 20 30 EHEDMO C[C@H]1CC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1(C)C ZINC000759924652 1041720475 /nfs/dbraw/zinc/72/04/75/1041720475.db2.gz YDEDRELOMAUELH-HOCLYGCPSA-N 1 1 348.450 3.592 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661438127 1042118152 /nfs/dbraw/zinc/11/81/52/1042118152.db2.gz BBUPXKPEIZDOLA-SJLPKXTDSA-N 1 1 328.456 3.786 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661438127 1042118154 /nfs/dbraw/zinc/11/81/54/1042118154.db2.gz BBUPXKPEIZDOLA-SJLPKXTDSA-N 1 1 328.456 3.786 20 30 EHEDMO CC[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](CC)CN1C(C)=O ZINC000487365024 1042360904 /nfs/dbraw/zinc/36/09/04/1042360904.db2.gz LAHXWZVMNAXPLK-OALUTQOASA-N 1 1 341.499 3.709 20 30 EHEDMO C=CCCN(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662039484 1042475195 /nfs/dbraw/zinc/47/51/95/1042475195.db2.gz VYCRFCPXTDTMKT-IBGZPJMESA-N 1 1 341.499 3.506 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000662082247 1042504186 /nfs/dbraw/zinc/50/41/86/1042504186.db2.gz YUCQCFQSMQYDDY-KDURUIRLSA-N 1 1 336.435 3.996 20 30 EHEDMO CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000093872541 1042565336 /nfs/dbraw/zinc/56/53/36/1042565336.db2.gz FDGDFCWXSXWHHL-LAUBAEHRSA-N 1 1 336.483 3.817 20 30 EHEDMO CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000093872541 1042565341 /nfs/dbraw/zinc/56/53/41/1042565341.db2.gz FDGDFCWXSXWHHL-LAUBAEHRSA-N 1 1 336.483 3.817 20 30 EHEDMO CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000343915610 1042820186 /nfs/dbraw/zinc/82/01/86/1042820186.db2.gz XAEUCHNNHWBBKV-QZTJIDSGSA-N 1 1 327.472 3.834 20 30 EHEDMO C=CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000187033896 1042974369 /nfs/dbraw/zinc/97/43/69/1042974369.db2.gz CLVTUHIFPNJJAM-ICSRJNTNSA-N 1 1 328.500 3.831 20 30 EHEDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000178532902 1043036395 /nfs/dbraw/zinc/03/63/95/1043036395.db2.gz IZXNEGWLPMMJDW-HNNXBMFYSA-N 1 1 345.487 3.833 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C3CC3)C2)cc1Cl ZINC000344097340 1043239457 /nfs/dbraw/zinc/23/94/57/1043239457.db2.gz LWSKJQJXVSLYFE-HNNXBMFYSA-N 1 1 331.847 3.662 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000512152275 1043488126 /nfs/dbraw/zinc/48/81/26/1043488126.db2.gz LXQQOXVYCYJBEG-POAQFYNOSA-N 1 1 327.472 3.514 20 30 EHEDMO C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000512160533 1043528046 /nfs/dbraw/zinc/52/80/46/1043528046.db2.gz AUXIZALPRIWZFE-UWJYYQICSA-N 1 1 347.462 3.648 20 30 EHEDMO CCC[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279457372 1044097548 /nfs/dbraw/zinc/09/75/48/1044097548.db2.gz UAZUMINTXBLQCX-QGZVFWFLSA-N 1 1 337.471 3.871 20 30 EHEDMO C=C(C)C[N@H+](CCCc1ccccc1OC)Cc1ccc(CO)o1 ZINC000512214864 1044183688 /nfs/dbraw/zinc/18/36/88/1044183688.db2.gz XHZBTOQNMKOHRQ-UHFFFAOYSA-N 1 1 329.440 3.791 20 30 EHEDMO CCOCCOc1cc(C)ccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000344902829 1044663825 /nfs/dbraw/zinc/66/38/25/1044663825.db2.gz JLUBEABSWKANBR-UHFFFAOYSA-N 1 1 342.414 3.711 20 30 EHEDMO C=CCCC(C)(C)NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000620863065 1125785711 /nfs/dbraw/zinc/78/57/11/1125785711.db2.gz DRDZHBVMGGDFBM-CALCHBBNSA-N 1 1 344.499 3.770 20 30 EHEDMO C=CCCC(C)(C)NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000620863065 1125785719 /nfs/dbraw/zinc/78/57/19/1125785719.db2.gz DRDZHBVMGGDFBM-CALCHBBNSA-N 1 1 344.499 3.770 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000072578164 1126768824 /nfs/dbraw/zinc/76/88/24/1126768824.db2.gz PWRLMWONHDRXER-INIZCTEOSA-N 1 1 346.434 3.842 20 30 EHEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C#Cc2ccccc2)CC1 ZINC000763763399 1126775357 /nfs/dbraw/zinc/77/53/57/1126775357.db2.gz TXOGGFHIFZVEJF-IBGZPJMESA-N 1 1 338.495 3.541 20 30 EHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000622840981 1126795821 /nfs/dbraw/zinc/79/58/21/1126795821.db2.gz ACJNTGMSSCASMT-FPOVZHCZSA-N 1 1 344.499 3.511 20 30 EHEDMO CCOc1cccc(C[N@@H+]2CCC[C@H](C#N)CC2)c1Br ZINC001238688871 1127447285 /nfs/dbraw/zinc/44/72/85/1127447285.db2.gz CFHNVGSWRFBWOG-ZDUSSCGKSA-N 1 1 337.261 3.973 20 30 EHEDMO CCOc1cccc(C[N@H+]2CCC[C@H](C#N)CC2)c1Br ZINC001238688871 1127447287 /nfs/dbraw/zinc/44/72/87/1127447287.db2.gz CFHNVGSWRFBWOG-ZDUSSCGKSA-N 1 1 337.261 3.973 20 30 EHEDMO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000282207004 1128071110 /nfs/dbraw/zinc/07/11/10/1128071110.db2.gz HEFTXHORVNLCLC-OXKPJDFFSA-N 1 1 325.500 3.817 20 30 EHEDMO CC[N@@H+](C[C@H](C)NC(=O)OC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000785441235 1128104459 /nfs/dbraw/zinc/10/44/59/1128104459.db2.gz IONYGIAYVRODBS-GJZGRUSLSA-N 1 1 331.460 3.854 20 30 EHEDMO Cc1cc(C#N)ccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186246316 1128357287 /nfs/dbraw/zinc/35/72/87/1128357287.db2.gz ZCVOXSXDYDYUCZ-NRFANRHFSA-N 1 1 333.479 3.821 20 30 EHEDMO Cc1cc(C#N)ccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186246316 1128357292 /nfs/dbraw/zinc/35/72/92/1128357292.db2.gz ZCVOXSXDYDYUCZ-NRFANRHFSA-N 1 1 333.479 3.821 20 30 EHEDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273069311 1128438660 /nfs/dbraw/zinc/43/86/60/1128438660.db2.gz ZHVPXROIJOIUCM-KGLIPLIRSA-N 1 1 328.416 3.531 20 30 EHEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000347649959 1128512530 /nfs/dbraw/zinc/51/25/30/1128512530.db2.gz JUTOBUTYAVTBIQ-HXUWFJFHSA-N 1 1 328.456 3.760 20 30 EHEDMO N#Cc1cc(Cl)ccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301184785 1128577560 /nfs/dbraw/zinc/57/75/60/1128577560.db2.gz JDPZJFNRVKGTNO-GOSISDBHSA-N 1 1 341.842 3.525 20 30 EHEDMO N#Cc1cc(Cl)ccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301184785 1128577562 /nfs/dbraw/zinc/57/75/62/1128577562.db2.gz JDPZJFNRVKGTNO-GOSISDBHSA-N 1 1 341.842 3.525 20 30 EHEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1nc(C(F)(F)F)ccc1C#N ZINC000301259392 1128580664 /nfs/dbraw/zinc/58/06/64/1128580664.db2.gz FBARJPZCJITJNI-FRRDWIJNSA-N 1 1 340.393 3.750 20 30 EHEDMO C[C@H]1CCCC[N@H+]1CCCNc1nc(C(F)(F)F)ccc1C#N ZINC000301284610 1128582148 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20 30 EHEDMO C=C(Cl)COc1ccc([C@@H](C)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000765875262 1128630851 /nfs/dbraw/zinc/63/08/51/1128630851.db2.gz YVLQSVLBDGQHCJ-QAPCUYQASA-N 1 1 334.891 3.953 20 30 EHEDMO C=C(Cl)COc1ccc([C@@H](C)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000765875262 1128630853 /nfs/dbraw/zinc/63/08/53/1128630853.db2.gz YVLQSVLBDGQHCJ-QAPCUYQASA-N 1 1 334.891 3.953 20 30 EHEDMO Cc1ccc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc1C#N ZINC000302677571 1128641206 /nfs/dbraw/zinc/64/12/06/1128641206.db2.gz VEAPJUXOMLCTNB-KBXCAEBGSA-N 1 1 326.469 3.818 20 30 EHEDMO C[N@@H+]1CC[C@H](Nc2ccc(F)cc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000302798215 1128648035 /nfs/dbraw/zinc/64/80/35/1128648035.db2.gz AYQHRTPJGOWSCW-ZWKOTPCHSA-N 1 1 331.341 3.833 20 30 EHEDMO C[N@H+]1CC[C@H](Nc2ccc(F)cc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000302798215 1128648037 /nfs/dbraw/zinc/64/80/37/1128648037.db2.gz AYQHRTPJGOWSCW-ZWKOTPCHSA-N 1 1 331.341 3.833 20 30 EHEDMO N#Cc1cccc(C#N)c1N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000302869063 1128652319 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347.499 3.674 20 30 EHEDMO COc1cc(CN(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000388078970 1128703087 /nfs/dbraw/zinc/70/30/87/1128703087.db2.gz AZXSMEWLLRMPEU-NRFANRHFSA-N 1 1 349.478 3.663 20 30 EHEDMO COc1cc(C[N@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)ccc1C#N ZINC000388078970 1128703088 /nfs/dbraw/zinc/70/30/88/1128703088.db2.gz AZXSMEWLLRMPEU-NRFANRHFSA-N 1 1 349.478 3.663 20 30 EHEDMO COc1cc(C[N@@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)ccc1C#N ZINC000388078970 1128703090 /nfs/dbraw/zinc/70/30/90/1128703090.db2.gz AZXSMEWLLRMPEU-NRFANRHFSA-N 1 1 349.478 3.663 20 30 EHEDMO CC[N@H+](CC(=O)Nc1cc(F)cc(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477361 1128732839 /nfs/dbraw/zinc/73/28/39/1128732839.db2.gz CBCIDJLGSHNTJQ-CYBMUJFWSA-N 1 1 343.377 3.858 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477361 1128732843 /nfs/dbraw/zinc/73/28/43/1128732843.db2.gz CBCIDJLGSHNTJQ-CYBMUJFWSA-N 1 1 343.377 3.858 20 30 EHEDMO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCc2ccccc2C1 ZINC000075744206 1128878455 /nfs/dbraw/zinc/87/84/55/1128878455.db2.gz XLLNLGLZBNYKAZ-LJQANCHMSA-N 1 1 344.418 3.598 20 30 EHEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H](O)c1ccc(Br)cc1 ZINC000109813496 1120126333 /nfs/dbraw/zinc/12/63/33/1120126333.db2.gz YXVQUSGOQDSOGV-HNNXBMFYSA-N 1 1 339.277 3.744 20 30 EHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)c1ccc(Br)cc1 ZINC000109813496 1120126335 /nfs/dbraw/zinc/12/63/35/1120126335.db2.gz YXVQUSGOQDSOGV-HNNXBMFYSA-N 1 1 339.277 3.744 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cc(Br)ccc2F)no1 ZINC000904724918 1120354361 /nfs/dbraw/zinc/35/43/61/1120354361.db2.gz SILZPINECPXQIA-LBPRGKRZSA-N 1 1 340.196 3.994 20 30 EHEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000185668797 1120424474 /nfs/dbraw/zinc/42/44/74/1120424474.db2.gz FMKHIAHLFDAHHI-YQQAZPJKSA-N 1 1 345.512 3.997 20 30 EHEDMO C=CCn1ccc2c1nc[nH+]c2N[C@H](c1ccccn1)C(F)(F)F ZINC001168479050 1120972884 /nfs/dbraw/zinc/97/28/84/1120972884.db2.gz RKFRDWWCEPGMLQ-CYBMUJFWSA-N 1 1 333.317 3.728 20 30 EHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@@H](C)Cc1cccc(F)c1)C2 ZINC001168478670 1120972929 /nfs/dbraw/zinc/97/29/29/1120972929.db2.gz HYVIOVZLQDFNRO-LAUBAEHRSA-N 1 1 344.474 3.790 20 30 EHEDMO Cn1cc(C[N@H+]2CC=C(C(F)(F)F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000272237669 1121108989 /nfs/dbraw/zinc/10/89/89/1121108989.db2.gz FZMXQOYBCDJFBM-UHFFFAOYSA-N 1 1 346.356 3.653 20 30 EHEDMO Cn1cc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000272237669 1121108994 /nfs/dbraw/zinc/10/89/94/1121108994.db2.gz FZMXQOYBCDJFBM-UHFFFAOYSA-N 1 1 346.356 3.653 20 30 EHEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000915216570 1121252227 /nfs/dbraw/zinc/25/22/27/1121252227.db2.gz QEZVSNVTVMGFQG-QGPMSJSTSA-N 1 1 348.450 3.734 20 30 EHEDMO CCCC[C@H](CC)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)C#N)C2 ZINC001272610765 1121286486 /nfs/dbraw/zinc/28/64/86/1121286486.db2.gz LTGBLSFSBWVADR-CMKODMSKSA-N 1 1 333.520 3.677 20 30 EHEDMO C=C(C)COc1cc(CNC[C@H]2CCCC[N@H+]2CC)ccc1OC ZINC000236821731 1121464720 /nfs/dbraw/zinc/46/47/20/1121464720.db2.gz NKCVAUWTLIHQLE-GOSISDBHSA-N 1 1 332.488 3.614 20 30 EHEDMO C=C(C)COc1cc(CNC[C@H]2CCCC[N@@H+]2CC)ccc1OC ZINC000236821731 1121464724 /nfs/dbraw/zinc/46/47/24/1121464724.db2.gz NKCVAUWTLIHQLE-GOSISDBHSA-N 1 1 332.488 3.614 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)CCc1ccc(Cl)cc1 ZINC000113266341 1128993473 /nfs/dbraw/zinc/99/34/73/1128993473.db2.gz HYTUTGVBRHTMBV-UHFFFAOYSA-N 1 1 341.842 3.715 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+](Cc1cccs1)C1CC1 ZINC000077250465 1129003952 /nfs/dbraw/zinc/00/39/52/1129003952.db2.gz WTKXFYJAADDYNU-UHFFFAOYSA-N 1 1 328.437 3.672 20 30 EHEDMO C[C@@H](Nc1c(C#N)nnc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272660586 1121897593 /nfs/dbraw/zinc/89/75/93/1121897593.db2.gz BUIPMMFSCAXDFS-HUUCEWRRSA-N 1 1 335.455 3.566 20 30 EHEDMO Cc1nc(NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)ccc1C#N ZINC000488058848 1121978473 /nfs/dbraw/zinc/97/84/73/1121978473.db2.gz RNMAJJLYPKOBJR-INIZCTEOSA-N 1 1 334.467 3.670 20 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349.463 3.596 20 30 EHEDMO Cc1cccc2c1C[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172980833 1131925472 /nfs/dbraw/zinc/92/54/72/1131925472.db2.gz QAGAWGPHVNRSCF-IRXDYDNUSA-N 1 1 341.455 3.602 20 30 EHEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](C1CCC(OCCC)CC1)C2 ZINC001173097555 1131953827 /nfs/dbraw/zinc/95/38/27/1131953827.db2.gz CEQZKDYATHICOJ-TUNPWDSISA-N 1 1 337.504 3.550 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC3(CCCC3)C2)c1 ZINC000743864795 1131992081 /nfs/dbraw/zinc/99/20/81/1131992081.db2.gz SRUQTUDDIFGNKP-UHFFFAOYSA-N 1 1 339.483 3.816 20 30 EHEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@@H](C)Cc3ccc(CC)cc3)C2)C1=O ZINC001173239784 1132027170 /nfs/dbraw/zinc/02/71/70/1132027170.db2.gz JVHQSYOOGCSNDC-PGRDOPGGSA-N 1 1 340.511 3.681 20 30 EHEDMO N#CCC1CCC([NH2+]C2(C(=O)OCc3ccccc3)CCC2)CC1 ZINC001173328622 1132049324 /nfs/dbraw/zinc/04/93/24/1132049324.db2.gz HTEWJGCYHWTTAW-UHFFFAOYSA-N 1 1 326.440 3.715 20 30 EHEDMO C=CCOC1CCC(N2CCC([NH3+])(c3ccccc3F)CC2)CC1 ZINC001173318764 1132060576 /nfs/dbraw/zinc/06/05/76/1132060576.db2.gz KVMVFURRIAPALX-UHFFFAOYSA-N 1 1 332.463 3.589 20 30 EHEDMO C=CCOC1CCC([N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)CC1 ZINC001173320049 1132061182 /nfs/dbraw/zinc/06/11/82/1132061182.db2.gz GDKLZEYDEDNTGX-OFLPRAFFSA-N 1 1 337.410 3.932 20 30 EHEDMO CCCC[N@@H+](CCC)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173431004 1132072527 /nfs/dbraw/zinc/07/25/27/1132072527.db2.gz AAMNZQCJGZXDPV-UHFFFAOYSA-N 1 1 327.472 3.675 20 30 EHEDMO COC(=O)CCCC[C@H](C)[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001173456396 1132081764 /nfs/dbraw/zinc/08/17/64/1132081764.db2.gz CAIHUHQVPSBBBA-WMZOPIPTSA-N 1 1 344.455 3.523 20 30 EHEDMO CC(C)[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OCc1ccccc1 ZINC001173586550 1132095348 /nfs/dbraw/zinc/09/53/48/1132095348.db2.gz VCDGXSMOMJOJNP-FDYSRKEFSA-N 1 1 328.456 3.816 20 30 EHEDMO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173594060 1132099808 /nfs/dbraw/zinc/09/98/08/1132099808.db2.gz QJTUUFBGNKDNKR-JOUKPKRSSA-N 1 1 335.492 3.789 20 30 EHEDMO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173596431 1132100158 /nfs/dbraw/zinc/10/01/58/1132100158.db2.gz WWHWXWVFNXGLJQ-UHFFFAOYSA-N 1 1 347.503 3.792 20 30 EHEDMO Cc1ccc2oc(=O)n(C[N@@H+](Cc3ccc(C#N)cc3)CC(C)C)c2c1 ZINC000746056123 1132359207 /nfs/dbraw/zinc/35/92/07/1132359207.db2.gz URGDJFHCBXHEQK-UHFFFAOYSA-N 1 1 349.434 3.890 20 30 EHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1cccc(F)c1 ZINC000746152175 1132385327 /nfs/dbraw/zinc/38/53/27/1132385327.db2.gz IEFDDPVFOSRQET-FQEVSTJZSA-N 1 1 326.415 3.889 20 30 EHEDMO COc1cc(F)c(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1F ZINC001174923669 1132506469 /nfs/dbraw/zinc/50/64/69/1132506469.db2.gz NCDFEZWLFRCCAM-UHFFFAOYSA-N 1 1 335.379 3.638 20 30 EHEDMO COc1ccccc1OCC[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000746451025 1132536339 /nfs/dbraw/zinc/53/63/39/1132536339.db2.gz RPAMMQFMIYZXCL-UHFFFAOYSA-N 1 1 329.827 3.711 20 30 EHEDMO CN(CC#Cc1ccc(Cl)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC001168839773 1132577558 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C=CC[C@@H]1[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)CCCC1(C)C ZINC001169844146 1132873365 /nfs/dbraw/zinc/87/33/65/1132873365.db2.gz KWELRTZCDIPIAT-SFHVURJKSA-N 1 1 344.455 3.811 20 30 EHEDMO CN(C[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC001176227795 1132880870 /nfs/dbraw/zinc/88/08/70/1132880870.db2.gz UTSRJQWBCYZVSL-SFHVURJKSA-N 1 1 343.471 3.780 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C2CCC2)cc1 ZINC001176304709 1132908656 /nfs/dbraw/zinc/90/86/56/1132908656.db2.gz LJZGQRCQFUCZPQ-UHFFFAOYSA-N 1 1 337.398 3.691 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@H+](Cc2cccc(F)c2)C2CCC2)cc1 ZINC001176304709 1132908661 /nfs/dbraw/zinc/90/86/61/1132908661.db2.gz LJZGQRCQFUCZPQ-UHFFFAOYSA-N 1 1 337.398 3.691 20 30 EHEDMO Cc1nc(Cl)cc(N=NC2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)n1 ZINC000767378482 1132985539 /nfs/dbraw/zinc/98/55/39/1132985539.db2.gz HFVPEEFRVWJIMK-CYBMUJFWSA-N 1 1 343.862 3.748 20 30 EHEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC000767907277 1133070966 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3.935 20 30 EHEDMO C[N@@H+](CC#Cc1ccccc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001180257562 1133351522 /nfs/dbraw/zinc/35/15/22/1133351522.db2.gz GPJQDHVTGXYPLK-OALUTQOASA-N 1 1 346.257 3.935 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000770669997 1133457811 /nfs/dbraw/zinc/45/78/11/1133457811.db2.gz GLFHEFCKNHDOBR-OAHLLOKOSA-N 1 1 335.455 3.595 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1cc(C#N)cn1C(C)(C)C)Cc1ccccc1 ZINC001181136842 1133457838 /nfs/dbraw/zinc/45/78/38/1133457838.db2.gz CFBKEGPBQQJWIA-UHFFFAOYSA-N 1 1 338.455 3.575 20 30 EHEDMO C#CC[NH+]1CCC(c2nc(Cc3cccc4ccccc43)no2)CC1 ZINC000770853380 1133472863 /nfs/dbraw/zinc/47/28/63/1133472863.db2.gz ORILHTIWTBVHPK-UHFFFAOYSA-N 1 1 331.419 3.626 20 30 EHEDMO C#CCOc1ccc(C[NH2+]Cc2nc3ccc(Cl)cc3n2C)cc1 ZINC001181922559 1133552491 /nfs/dbraw/zinc/55/24/91/1133552491.db2.gz ZKESNVGRMDLABP-UHFFFAOYSA-N 1 1 339.826 3.529 20 30 EHEDMO CC[N@@H+](CCC1CCN(C(=O)C#Cc2ccccc2)CC1)CC(C)C ZINC000773981530 1133581445 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338.561 3.797 20 30 EHEDMO N#CCCN1CC[NH+](Cc2cccc(Oc3ccc(F)cc3)c2)CC1 ZINC001183396563 1133798845 /nfs/dbraw/zinc/79/88/45/1133798845.db2.gz SAJZPOUOEWYPFR-UHFFFAOYSA-N 1 1 339.414 3.649 20 30 EHEDMO CC(C)c1[nH+]ccn1CC(=O)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC001184234725 1133914193 /nfs/dbraw/zinc/91/41/93/1133914193.db2.gz BSPPDOFGLVRQDR-UHFFFAOYSA-N 1 1 342.226 3.731 20 30 EHEDMO N#Cc1cc(NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c([N+](=O)[O-])s1 ZINC001185263829 1134059005 /nfs/dbraw/zinc/05/90/05/1134059005.db2.gz RFAHYWCIVRDAPQ-AWEZNQCLSA-N 1 1 348.472 3.985 20 30 EHEDMO Cc1cc(C[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)ccc1C#N ZINC000774877562 1134084089 /nfs/dbraw/zinc/08/40/89/1134084089.db2.gz ZYTLGHFTXYEIIJ-UHFFFAOYSA-N 1 1 349.434 3.573 20 30 EHEDMO Cc1cc(C[N@H+]2CCCN(C(=O)Oc3ccccc3)CC2)ccc1C#N ZINC000774877562 1134084096 /nfs/dbraw/zinc/08/40/96/1134084096.db2.gz ZYTLGHFTXYEIIJ-UHFFFAOYSA-N 1 1 349.434 3.573 20 30 EHEDMO C#CCC1(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000788233626 1134103869 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EHEDMO CCC(CC)C[N@@H+](CC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001190325743 1134682773 /nfs/dbraw/zinc/68/27/73/1134682773.db2.gz QAEZJEGOQNKZFC-IBGZPJMESA-N 1 1 327.472 3.812 20 30 EHEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H](C)Cc2ccccc2Cl)C1 ZINC001170294748 1134736792 /nfs/dbraw/zinc/73/67/92/1134736792.db2.gz RFFLCZLWXDOZMS-GDBMZVCRSA-N 1 1 336.863 3.648 20 30 EHEDMO CCCC[N@@H+](CCOc1ccccc1C#N)[C@@H]1CCCC[C@H]1OC ZINC001170290157 1134744046 /nfs/dbraw/zinc/74/40/46/1134744046.db2.gz DTJTWCBZVQJEKZ-UYAOXDASSA-N 1 1 330.472 3.997 20 30 EHEDMO N#CCc1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1 ZINC001170330546 1134750571 /nfs/dbraw/zinc/75/05/71/1134750571.db2.gz JLXHRJWHPSHDSB-OWZKRDHZSA-N 1 1 332.451 3.755 20 30 EHEDMO N#CC1(c2ccccc2)CCC(N2CC([NH+]3CCC(F)CC3)C2)CC1 ZINC001170389481 1134762921 /nfs/dbraw/zinc/76/29/21/1134762921.db2.gz UQKVPZGQJLYENY-UHFFFAOYSA-N 1 1 341.474 3.509 20 30 EHEDMO C[C@H](C#N)C[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C1CC1 ZINC000792833531 1134799155 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CN(CC#Cc1ccc(Cl)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001191601967 1134895821 /nfs/dbraw/zinc/89/58/21/1134895821.db2.gz TWFZITYRVRFJDD-NRFANRHFSA-N 1 1 338.882 3.898 20 30 EHEDMO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1ccc(C#N)cc1OC(F)F ZINC001192389776 1135010651 /nfs/dbraw/zinc/01/06/51/1135010651.db2.gz INCJITOIALXDAQ-AWEZNQCLSA-N 1 1 346.377 3.715 20 30 EHEDMO C[NH+](C)Cc1ccc(NC(=O)c2ccccc2OCC#N)cc1Cl ZINC000794230866 1135030371 /nfs/dbraw/zinc/03/03/71/1135030371.db2.gz BQBLRZFVLAMAEV-UHFFFAOYSA-N 1 1 343.814 3.556 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccncc1C#N)c1ccc(F)c(Br)c1 ZINC001192792947 1135061406 /nfs/dbraw/zinc/06/14/06/1135061406.db2.gz UVPTWMMUZXNZHY-SNVBAGLBSA-N 1 1 334.192 3.706 20 30 EHEDMO COC(=O)C(C)(C)[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000775554195 1135068330 /nfs/dbraw/zinc/06/83/30/1135068330.db2.gz VKJDEVWEXDQVCR-GOSISDBHSA-N 1 1 340.398 3.727 20 30 EHEDMO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001193103551 1135101753 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C[N@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000775609419 1135326001 /nfs/dbraw/zinc/32/60/01/1135326001.db2.gz WZBWLBCMVJGIRO-MRXNPFEDSA-N 1 1 349.862 3.653 20 30 EHEDMO C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000775609419 1135326006 /nfs/dbraw/zinc/32/60/06/1135326006.db2.gz WZBWLBCMVJGIRO-MRXNPFEDSA-N 1 1 349.862 3.653 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(C)c1O ZINC000775656543 1135424065 /nfs/dbraw/zinc/42/40/65/1135424065.db2.gz JRXZOYULWMBPBC-UHFFFAOYSA-N 1 1 344.842 3.874 20 30 EHEDMO C=CC[C@H]1CCC[N@H+](CC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)C1 ZINC001195946835 1135499007 /nfs/dbraw/zinc/49/90/07/1135499007.db2.gz OLNXDEHZEYQTCE-HRAATJIYSA-N 1 1 342.483 3.551 20 30 EHEDMO C=CCc1cc(C[N@@H+](C)Cc2ccccc2N(C)C)c(O)c(OC)c1 ZINC000808236151 1135639408 /nfs/dbraw/zinc/63/94/08/1135639408.db2.gz VYQURSGQDWZGJD-UHFFFAOYSA-N 1 1 340.467 3.827 20 30 EHEDMO CC(C)CNC(=O)c1cccc(C[N@@H+](C)CCc2cccc(C#N)c2)c1 ZINC001197104345 1135650023 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3.622 20 30 EHEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)cc1 ZINC000809579444 1135853578 /nfs/dbraw/zinc/85/35/78/1135853578.db2.gz XPZIPULQUKXANP-FQEVSTJZSA-N 1 1 348.446 3.588 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)cc1 ZINC000809579444 1135853582 /nfs/dbraw/zinc/85/35/82/1135853582.db2.gz XPZIPULQUKXANP-FQEVSTJZSA-N 1 1 348.446 3.588 20 30 EHEDMO C#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)cc1 ZINC000809582405 1135853778 /nfs/dbraw/zinc/85/37/78/1135853778.db2.gz XNUNAKSYGBABIL-RTBURBONSA-N 1 1 342.483 3.793 20 30 EHEDMO C#CCOc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1 ZINC000809698626 1135868395 /nfs/dbraw/zinc/86/83/95/1135868395.db2.gz DZIYVMXNVPRPMY-DNVJHFABSA-N 1 1 347.458 3.703 20 30 EHEDMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000809724148 1135878841 /nfs/dbraw/zinc/87/88/41/1135878841.db2.gz WPNDBXKSTYCLSE-CQSZACIVSA-N 1 1 349.500 3.889 20 30 EHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000775930007 1135881368 /nfs/dbraw/zinc/88/13/68/1135881368.db2.gz ACBYMPDZMQBZKO-INIZCTEOSA-N 1 1 348.425 3.959 20 30 EHEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000809758196 1135887666 /nfs/dbraw/zinc/88/76/66/1135887666.db2.gz GGJYASOOWIFPGP-WOJBJXKFSA-N 1 1 327.468 3.727 20 30 EHEDMO N#Cc1oc2ccccc2c1NC(=O)c1c[nH+]ccc1N1CCCC1 ZINC001199364338 1135900443 /nfs/dbraw/zinc/90/04/43/1135900443.db2.gz BTIZTXZDLKXCST-UHFFFAOYSA-N 1 1 332.363 3.552 20 30 EHEDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H](CC#N)c2ccccc2)CC1 ZINC001132075198 1135922244 /nfs/dbraw/zinc/92/22/44/1135922244.db2.gz KAPULDYCITVTQC-WIYYLYMNSA-N 1 1 347.462 3.589 20 30 EHEDMO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](C[C@H]1CC=CCC1)CC2 ZINC001201409834 1136021206 /nfs/dbraw/zinc/02/12/06/1136021206.db2.gz DWXPSYVSMGABGC-KRWDZBQOSA-N 1 1 341.499 3.710 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)C(C)C)O2 ZINC001201762669 1136060435 /nfs/dbraw/zinc/06/04/35/1136060435.db2.gz QRHXMOOBDIGAOZ-UYAOXDASSA-N 1 1 338.536 3.743 20 30 EHEDMO CCCCCCCC[N@H+]1C[C@H]2CCN(c3ccc(C)nn3)C[C@H]2C1 ZINC001201804115 1136064443 /nfs/dbraw/zinc/06/44/43/1136064443.db2.gz BRXSTOMFKVLVLY-RTBURBONSA-N 1 1 330.520 3.904 20 30 EHEDMO CCCCCCCC[N@@H+]1C[C@@H]2[C@H](CC(=O)NCc3ccco3)[C@@H]2C1 ZINC001201815161 1136065082 /nfs/dbraw/zinc/06/50/82/1136065082.db2.gz YCEKDFBVHHGHBH-REPLKXPHSA-N 1 1 332.488 3.824 20 30 EHEDMO CCCCCCC[N@H+]1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001201776945 1136065453 /nfs/dbraw/zinc/06/54/53/1136065453.db2.gz PPSLEOXFSXRDQM-OAQYLSRUSA-N 1 1 343.515 3.867 20 30 EHEDMO CCCCCCCCCCS(=O)(=O)N[C@H]1CCC[N@@H+](C)CC1 ZINC001201839273 1136069726 /nfs/dbraw/zinc/06/97/26/1136069726.db2.gz UKFROVGBERMFDC-KRWDZBQOSA-N 1 1 332.554 3.531 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1ccc(C(=O)NC2CC2)cc1)c1ccc(Cl)cc1 ZINC000811516303 1136104675 /nfs/dbraw/zinc/10/46/75/1136104675.db2.gz KDGNLWYQTAIMSW-LJQANCHMSA-N 1 1 338.838 3.696 20 30 EHEDMO C=CCn1c2ccccc2n(C[N@H+](C)C[C@@H]2CCCOC2)c1=S ZINC000107670383 1136175639 /nfs/dbraw/zinc/17/56/39/1136175639.db2.gz ISHDXSJJGYRWJU-HNNXBMFYSA-N 1 1 331.485 3.674 20 30 EHEDMO C=CCn1c2ccccc2n(C[N@@H+](C)C[C@@H]2CCCOC2)c1=S ZINC000107670383 1136175642 /nfs/dbraw/zinc/17/56/42/1136175642.db2.gz ISHDXSJJGYRWJU-HNNXBMFYSA-N 1 1 331.485 3.674 20 30 EHEDMO CC(C)[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CCCC1 ZINC000108365164 1136185784 /nfs/dbraw/zinc/18/57/84/1136185784.db2.gz VMCCHTBYVOAROV-QGZVFWFLSA-N 1 1 348.450 3.877 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000747792484 1136218931 /nfs/dbraw/zinc/21/89/31/1136218931.db2.gz SOWRNVBZCLVRDJ-CTNGQTDRSA-N 1 1 336.435 3.655 20 30 EHEDMO C#C[C@](C)(CC)[NH2+]Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000852101784 1136433818 /nfs/dbraw/zinc/43/38/18/1136433818.db2.gz SWJASBPSOKDGQG-LJQANCHMSA-N 1 1 341.480 3.524 20 30 EHEDMO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170742141 1136441366 /nfs/dbraw/zinc/44/13/66/1136441366.db2.gz YTLQAUBJOAYPJF-CLWJZODNSA-N 1 1 332.488 3.532 20 30 EHEDMO N#Cc1ccc(C[N@H+](CCC(=O)OCc2ccccc2)C2CC2)cc1 ZINC000776578748 1136444179 /nfs/dbraw/zinc/44/41/79/1136444179.db2.gz IMDXADHOGHPVGA-UHFFFAOYSA-N 1 1 334.419 3.656 20 30 EHEDMO C=C(C)CC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852334914 1136450083 /nfs/dbraw/zinc/45/00/83/1136450083.db2.gz CNRSTHGCLCCFIQ-MNOVXSKESA-N 1 1 337.099 3.781 20 30 EHEDMO COc1cc(OC)cc(C2(F)CC[NH+](Cc3ccc(C#N)o3)CC2)c1 ZINC000338952139 1136480066 /nfs/dbraw/zinc/48/00/66/1136480066.db2.gz XSAXEDIMLYRVNW-UHFFFAOYSA-N 1 1 344.386 3.629 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000814666046 1136491706 /nfs/dbraw/zinc/49/17/06/1136491706.db2.gz BHVNAECVWAUVQJ-MJGOQNOKSA-N 1 1 326.827 3.735 20 30 EHEDMO CC(N=Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(C[NH+](C)C)c1 ZINC000814905155 1136523021 /nfs/dbraw/zinc/52/30/21/1136523021.db2.gz PZWRVTSTPLLVDU-UHFFFAOYSA-N 1 1 330.363 3.632 20 30 EHEDMO C#CCCCC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000855469600 1136698891 /nfs/dbraw/zinc/69/88/91/1136698891.db2.gz LDTGCJJICPVTMX-UHFFFAOYSA-N 1 1 327.453 3.633 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)CCCCCC#N ZINC000816453885 1136717429 /nfs/dbraw/zinc/71/74/29/1136717429.db2.gz WHJJNWWDRBYPJX-PKOBYXMFSA-N 1 1 328.456 3.914 20 30 EHEDMO C=CCCO[C@H](C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000816468875 1136720105 /nfs/dbraw/zinc/72/01/05/1136720105.db2.gz OUZYAVRSKKJKKS-LMMKCTJWSA-N 1 1 331.456 3.564 20 30 EHEDMO CCCCCCCCCC[N@@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856554739 1136795102 /nfs/dbraw/zinc/79/51/02/1136795102.db2.gz NBEHCZIPTLQAKJ-VQTJNVASSA-N 1 1 345.531 3.978 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000817919868 1136846449 /nfs/dbraw/zinc/84/64/49/1136846449.db2.gz WBIPNMKUMRJQOJ-BVOGOJNSSA-N 1 1 341.499 3.768 20 30 EHEDMO C[N@H+]1CCC[C@@H](c2cccc(C(=O)N3CCCC(C)(C)[C@H]3C#N)c2)C1 ZINC000857194521 1136852487 /nfs/dbraw/zinc/85/24/87/1136852487.db2.gz GZBKLHKREVLRCV-RTBURBONSA-N 1 1 339.483 3.650 20 30 EHEDMO CCCCCCC[N@@H+]1CCn2c(Cc3cccc(F)c3F)nnc2C1 ZINC000857957328 1136925785 /nfs/dbraw/zinc/92/57/85/1136925785.db2.gz CUUQEEBXMHCWJZ-UHFFFAOYSA-N 1 1 348.441 3.933 20 30 EHEDMO CCCCCCC[N@H+]1CCn2c(Cc3cccc(F)c3F)nnc2C1 ZINC000857957328 1136925787 /nfs/dbraw/zinc/92/57/87/1136925787.db2.gz CUUQEEBXMHCWJZ-UHFFFAOYSA-N 1 1 348.441 3.933 20 30 EHEDMO C=CC[N@H+](CCC1CN(C(=O)OC(C)(C)C)C1)Cc1cccs1 ZINC000859053977 1137001308 /nfs/dbraw/zinc/00/13/08/1137001308.db2.gz HFLYQPBJARQQJU-UHFFFAOYSA-N 1 1 336.501 3.993 20 30 EHEDMO C=C(C)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000859602763 1137022238 /nfs/dbraw/zinc/02/22/38/1137022238.db2.gz DKMCJUZDTJRNNM-CHWSQXEVSA-N 1 1 336.398 3.588 20 30 EHEDMO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@@H]1C[N@@H+](CCC(C)(C)C#N)C[C@@H]12 ZINC000860038265 1137041471 /nfs/dbraw/zinc/04/14/71/1137041471.db2.gz QSKZITFYQRLXIM-HZMVEIRTSA-N 1 1 347.503 3.504 20 30 EHEDMO C[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000860424113 1137059648 /nfs/dbraw/zinc/05/96/48/1137059648.db2.gz AVSMQUQRPFBQHP-PMACEKPBSA-N 1 1 348.450 3.558 20 30 EHEDMO N#CCCC[C@@H]([NH3+])c1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000822644384 1137068042 /nfs/dbraw/zinc/06/80/42/1137068042.db2.gz OCMMHNBOCNATLE-GFCCVEGCSA-N 1 1 325.199 3.661 20 30 EHEDMO C=CC[N@@H+](C)Cc1cc(Br)c([C@@H](C)OCOC)cc1F ZINC000862332660 1137138780 /nfs/dbraw/zinc/13/87/80/1137138780.db2.gz WIVSKAMHCRWHAB-LLVKDONJSA-N 1 1 346.240 3.888 20 30 EHEDMO C=CC[N@H+](C)Cc1cc(Br)c([C@@H](C)OCOC)cc1F ZINC000862332660 1137138781 /nfs/dbraw/zinc/13/87/81/1137138781.db2.gz WIVSKAMHCRWHAB-LLVKDONJSA-N 1 1 346.240 3.888 20 30 EHEDMO C=CCOCC[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000339035887 1137139594 /nfs/dbraw/zinc/13/95/94/1137139594.db2.gz KAJRMINXYVMHDC-QGZVFWFLSA-N 1 1 327.472 3.999 20 30 EHEDMO C=C[C@H](C)ONC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000824732859 1137150603 /nfs/dbraw/zinc/15/06/03/1137150603.db2.gz LIDQOGODZXNJGE-NSHDSACASA-N 1 1 346.456 3.518 20 30 EHEDMO Cc1ccccc1[C@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)CC[NH2+]1 ZINC000825163359 1137168559 /nfs/dbraw/zinc/16/85/59/1137168559.db2.gz WYSLCFCBHDCXCN-PZJWPPBQSA-N 1 1 347.462 3.556 20 30 EHEDMO C[N@H+]1CCN(Cc2c(Cl)cccc2C#N)[C@H](c2ccccc2)C1 ZINC001143716152 1137191474 /nfs/dbraw/zinc/19/14/74/1137191474.db2.gz FAUWMVNJVBCAIM-IBGZPJMESA-N 1 1 325.843 3.700 20 30 EHEDMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1OC(F)(F)F ZINC001143878625 1137207977 /nfs/dbraw/zinc/20/79/77/1137207977.db2.gz GWSXPDGDCIJYCC-ZSOGYDGISA-N 1 1 340.345 3.860 20 30 EHEDMO CCCCCCCCC(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000794581204 1137210477 /nfs/dbraw/zinc/21/04/77/1137210477.db2.gz ZQULVQHKODFCER-IBGZPJMESA-N 1 1 332.488 3.942 20 30 EHEDMO COc1ccc(OC(F)(F)F)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC001144005440 1137225160 /nfs/dbraw/zinc/22/51/60/1137225160.db2.gz RTASUFLRRKQZNF-UHFFFAOYSA-N 1 1 328.334 3.719 20 30 EHEDMO C=CC[C@H](C)C(=O)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001144018210 1137229262 /nfs/dbraw/zinc/22/92/62/1137229262.db2.gz QLLRKRIHWCMHRT-AWEZNQCLSA-N 1 1 335.407 3.732 20 30 EHEDMO N#Cc1cc2ccccc2nc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000772905000 1137229780 /nfs/dbraw/zinc/22/97/80/1137229780.db2.gz SORLJMFUFQMMNB-OXJNMPFZSA-N 1 1 332.451 3.560 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H](OCC4CC4)[C@H]3C2)nc1 ZINC001144160308 1137246576 /nfs/dbraw/zinc/24/65/76/1137246576.db2.gz DCWNKDHILFANOU-FKBYEOEOSA-N 1 1 345.446 3.650 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)nc1 ZINC001144160352 1137246649 /nfs/dbraw/zinc/24/66/49/1137246649.db2.gz GQZYMCFAXZRBFM-FCHUYYIVSA-N 1 1 347.462 3.565 20 30 EHEDMO CCOc1ccc(O)c(/C=N\C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000794833666 1137271889 /nfs/dbraw/zinc/27/18/89/1137271889.db2.gz OTNNFWIDZAGIHZ-QWQBBLJPSA-N 1 1 338.451 3.732 20 30 EHEDMO C=C(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001144405305 1137286087 /nfs/dbraw/zinc/28/60/87/1137286087.db2.gz LSJRDDHQLGPFDI-NRFANRHFSA-N 1 1 334.463 3.566 20 30 EHEDMO C#Cc1ccc(C[N@H+](C)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)cc1 ZINC001144578783 1137310640 /nfs/dbraw/zinc/31/06/40/1137310640.db2.gz PJPCNIYNGOUDPE-WGSAOQKQSA-N 1 1 342.483 3.936 20 30 EHEDMO CCCCOc1ccccc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846007517 1137325411 /nfs/dbraw/zinc/32/54/11/1137325411.db2.gz OWTSPWLCIDGIBT-FQEVSTJZSA-N 1 1 338.451 3.903 20 30 EHEDMO COC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc(F)c(F)c1 ZINC000866310647 1137344520 /nfs/dbraw/zinc/34/45/20/1137344520.db2.gz HXQIOHZJWZVHQA-APPDUMDISA-N 1 1 332.350 3.580 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001171221207 1137346823 /nfs/dbraw/zinc/34/68/23/1137346823.db2.gz IWJYQMXAGZRPLI-QAPCUYQASA-N 1 1 328.456 3.543 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCc2ncc(C(F)(F)F)cc2C1 ZINC001171221382 1137347212 /nfs/dbraw/zinc/34/72/12/1137347212.db2.gz MBMJAQZWGFJQRR-ZDUSSCGKSA-N 1 1 345.368 3.961 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001171224769 1137350084 /nfs/dbraw/zinc/35/00/84/1137350084.db2.gz VABAWMNAZSFIDE-IERDGZPVSA-N 1 1 338.426 3.876 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1Cc2cnc(-c3ccccc3)nc2C1 ZINC001171228037 1137353814 /nfs/dbraw/zinc/35/38/14/1137353814.db2.gz DHRLRCNENMQPNY-INIZCTEOSA-N 1 1 340.430 3.962 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1Cc2cnc(-c3ccccc3)nc2C1 ZINC001171228037 1137353816 /nfs/dbraw/zinc/35/38/16/1137353816.db2.gz DHRLRCNENMQPNY-INIZCTEOSA-N 1 1 340.430 3.962 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H]1CC(=O)OC(C)(C)C ZINC001171229358 1137354283 /nfs/dbraw/zinc/35/42/83/1137354283.db2.gz MOYLFHFEVDJJBN-YJBOKZPZSA-N 1 1 328.456 3.685 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1 ZINC001171230002 1137355778 /nfs/dbraw/zinc/35/57/78/1137355778.db2.gz AHDSOGQZGPQIEK-UZLBHIALSA-N 1 1 333.435 3.592 20 30 EHEDMO C=CCCn1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)nn1 ZINC000846803668 1137367972 /nfs/dbraw/zinc/36/79/72/1137367972.db2.gz FPWJHBGOGNGQRL-UHFFFAOYSA-N 1 1 326.444 3.505 20 30 EHEDMO C#C[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000847026671 1137383450 /nfs/dbraw/zinc/38/34/50/1137383450.db2.gz GMFVYHMQZJFZHG-LBPRGKRZSA-N 1 1 335.329 3.601 20 30 EHEDMO C#C[C@H]1CCC[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000847026671 1137383452 /nfs/dbraw/zinc/38/34/52/1137383452.db2.gz GMFVYHMQZJFZHG-LBPRGKRZSA-N 1 1 335.329 3.601 20 30 EHEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CCOc1ccccc1C#N)CCC2 ZINC000348219044 1137453382 /nfs/dbraw/zinc/45/33/82/1137453382.db2.gz RXZYHHWMDHANEB-MRXNPFEDSA-N 1 1 327.453 3.711 20 30 EHEDMO C=CCOc1ccccc1[C@@H](C)Nc1cc(-n2ccnc2)nc(C)[nH+]1 ZINC001171373489 1137461288 /nfs/dbraw/zinc/46/12/88/1137461288.db2.gz SLGDWGRZVCPMHU-CQSZACIVSA-N 1 1 335.411 3.709 20 30 EHEDMO C=CCCOCCCCC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000870124370 1137477815 /nfs/dbraw/zinc/47/78/15/1137477815.db2.gz ZGCLVQJSZNBCLT-LJQANCHMSA-N 1 1 344.499 3.655 20 30 EHEDMO C[C@@H]1CN(Cc2cc(Cl)ccc2OCC#N)CC[N@H+](C2CCC2)C1 ZINC000795122819 1137493272 /nfs/dbraw/zinc/49/32/72/1137493272.db2.gz AZNQFQBMUSEUCE-OAHLLOKOSA-N 1 1 347.890 3.549 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001172305389 1137545424 /nfs/dbraw/zinc/54/54/24/1137545424.db2.gz RYXOLWGNTVBZAN-GOSISDBHSA-N 1 1 337.511 3.830 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001172305389 1137545425 /nfs/dbraw/zinc/54/54/25/1137545425.db2.gz RYXOLWGNTVBZAN-GOSISDBHSA-N 1 1 337.511 3.830 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001172307809 1137545702 /nfs/dbraw/zinc/54/57/02/1137545702.db2.gz QZMMJIWYMJPJSL-KRWDZBQOSA-N 1 1 335.451 3.565 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCN(Cc2ccccc2)C[C@@H]1C ZINC001172307609 1137545717 /nfs/dbraw/zinc/54/57/17/1137545717.db2.gz OXZHSYNCNKKETL-MOPGFXCFSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001172307609 1137545718 /nfs/dbraw/zinc/54/57/18/1137545718.db2.gz OXZHSYNCNKKETL-MOPGFXCFSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001172307609 1137545719 /nfs/dbraw/zinc/54/57/19/1137545719.db2.gz OXZHSYNCNKKETL-MOPGFXCFSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001172311078 1137546331 /nfs/dbraw/zinc/54/63/31/1137546331.db2.gz OEYTYFQVMITMLG-YJBOKZPZSA-N 1 1 328.456 3.543 20 30 EHEDMO CCOC(=O)[C@]1(C)CCCC[N@H+]([C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172314281 1137546562 /nfs/dbraw/zinc/54/65/62/1137546562.db2.gz IJRUEWQZHIBYIT-OXQOHEQNSA-N 1 1 328.456 3.545 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)N1CC[N@H+](C2CCCCC2)[C@@H](C)C1 ZINC001172313671 1137546624 /nfs/dbraw/zinc/54/66/24/1137546624.db2.gz BZMIASBQWWRJNV-ROUUACIJSA-N 1 1 325.500 3.828 20 30 EHEDMO CCCC[C@@](CC)([NH2+][C@@H](C)Cc1ccc(C#N)cc1)C(=O)OCC ZINC001172297417 1137548693 /nfs/dbraw/zinc/54/86/93/1137548693.db2.gz PIAXUXLVQUVOBA-OXJNMPFZSA-N 1 1 330.472 3.981 20 30 EHEDMO CCCCCCC[C@H](CC)[N@@H+]1CC[C@@H]2[C@H](CC1)OCCN2C(C)=O ZINC001172356404 1137554270 /nfs/dbraw/zinc/55/42/70/1137554270.db2.gz IJAWOPAIBBQPNM-ZCNNSNEGSA-N 1 1 338.536 3.837 20 30 EHEDMO CC(=O)Nc1ccc(C(C)=NOCc2c(C)cc(C)[nH+]c2C)cc1 ZINC000871724693 1137556742 /nfs/dbraw/zinc/55/67/42/1137556742.db2.gz XBLIJGIGGIKLLT-UHFFFAOYSA-N 1 1 325.412 3.906 20 30 EHEDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC12CCCCCC2 ZINC000871990944 1137564215 /nfs/dbraw/zinc/56/42/15/1137564215.db2.gz LDTOJTKCWNADNM-OALUTQOASA-N 1 1 348.531 3.739 20 30 EHEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872259809 1137576700 /nfs/dbraw/zinc/57/67/00/1137576700.db2.gz JYNQLQRPCSAQJD-IBGZPJMESA-N 1 1 327.472 3.548 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000872259876 1137576745 /nfs/dbraw/zinc/57/67/45/1137576745.db2.gz BZWXMCLPKAWYSZ-OAQYLSRUSA-N 1 1 341.499 3.960 20 30 EHEDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1O ZINC000872262647 1137576762 /nfs/dbraw/zinc/57/67/62/1137576762.db2.gz LVVIKLDNBVYTDO-IMJJTQAJSA-N 1 1 338.373 3.558 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000872261545 1137576903 /nfs/dbraw/zinc/57/69/03/1137576903.db2.gz HHHDJUFMNFYHHI-QFBILLFUSA-N 1 1 328.456 3.901 20 30 EHEDMO C[NH+]1CCN(c2ccc(NC3CCC(C#N)CC3)cc2Cl)CC1 ZINC000876854415 1137663679 /nfs/dbraw/zinc/66/36/79/1137663679.db2.gz SNSGYYOIAWMGST-UHFFFAOYSA-N 1 1 332.879 3.586 20 30 EHEDMO N#Cc1cnc(Cl)c(C[NH2+]Cc2ccc(OC3CCCC3)nc2)c1 ZINC000876942428 1137665882 /nfs/dbraw/zinc/66/58/82/1137665882.db2.gz USXDIQSBIWXUJJ-UHFFFAOYSA-N 1 1 342.830 3.613 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@H](COc3ccccc3)C2)c1 ZINC000877183798 1137672505 /nfs/dbraw/zinc/67/25/05/1137672505.db2.gz IFQCLKUAGCKRLS-AWEZNQCLSA-N 1 1 327.815 3.508 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@H](COc3ccccc3)C2)c1 ZINC000877183798 1137672506 /nfs/dbraw/zinc/67/25/06/1137672506.db2.gz IFQCLKUAGCKRLS-AWEZNQCLSA-N 1 1 327.815 3.508 20 30 EHEDMO Cc1ccc(S(=O)(=O)C2CC[NH+](CC(C)(C)CCC#N)CC2)cc1 ZINC000877779987 1137689238 /nfs/dbraw/zinc/68/92/38/1137689238.db2.gz RBMAXIGNVHDANA-UHFFFAOYSA-N 1 1 348.512 3.563 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@@H+](C)CCCc1ccccc1)c1ccccc1 ZINC000877960868 1137697270 /nfs/dbraw/zinc/69/72/70/1137697270.db2.gz DYRLNEFFKRUZIC-QFIPXVFZSA-N 1 1 334.463 3.992 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@@H+](C)CCc1ccccc1F)c1ccccc1 ZINC000878092793 1137702149 /nfs/dbraw/zinc/70/21/49/1137702149.db2.gz XRKJAZNMBSQKOA-OAQYLSRUSA-N 1 1 338.426 3.741 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[NH+]1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000878147465 1137704413 /nfs/dbraw/zinc/70/44/13/1137704413.db2.gz FSBSYKZPPKNYSF-KRWDZBQOSA-N 1 1 338.373 3.701 20 30 EHEDMO CC(=O)[C@](C#N)(CC[NH+]1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000878147467 1137704475 /nfs/dbraw/zinc/70/44/75/1137704475.db2.gz FSBSYKZPPKNYSF-QGZVFWFLSA-N 1 1 338.373 3.701 20 30 EHEDMO C#C[C@@](C)(CC)NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000878305136 1137710615 /nfs/dbraw/zinc/71/06/15/1137710615.db2.gz VLKOOHHQGLDDLQ-FQEVSTJZSA-N 1 1 338.455 3.978 20 30 EHEDMO C#CCCCCC[N@H+]1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000878508786 1137718414 /nfs/dbraw/zinc/71/84/14/1137718414.db2.gz YLHOBCNOFVIOSZ-KRWDZBQOSA-N 1 1 331.460 3.684 20 30 EHEDMO C=C(Br)C[N@@H+](Cc1ccc(OC)cc1)[C@H](C)CCCO ZINC000879285406 1137743367 /nfs/dbraw/zinc/74/33/67/1137743367.db2.gz UGJAWMUFDRBVKO-CQSZACIVSA-N 1 1 342.277 3.567 20 30 EHEDMO C=C(Br)C[N@H+](Cc1ccc(OC)cc1)[C@H](C)CCCO ZINC000879285406 1137743368 /nfs/dbraw/zinc/74/33/68/1137743368.db2.gz UGJAWMUFDRBVKO-CQSZACIVSA-N 1 1 342.277 3.567 20 30 EHEDMO C=CC(C)(C)CC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000879944282 1137762960 /nfs/dbraw/zinc/76/29/60/1137762960.db2.gz CFOKRALBMIORSH-NRFANRHFSA-N 1 1 326.484 3.713 20 30 EHEDMO CC(C)(O)[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000879961159 1137763299 /nfs/dbraw/zinc/76/32/99/1137763299.db2.gz AAXKEQREUVYADV-MRXNPFEDSA-N 1 1 325.374 3.540 20 30 EHEDMO COC(=O)CC[C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000880040502 1137766432 /nfs/dbraw/zinc/76/64/32/1137766432.db2.gz WIXWPKBNYBRZSD-MRXNPFEDSA-N 1 1 328.456 3.653 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(C#N)o2)C2(CCC2)CC1 ZINC000880349989 1137775837 /nfs/dbraw/zinc/77/58/37/1137775837.db2.gz QPCUUJXOLZSRBQ-UHFFFAOYSA-N 1 1 345.443 3.517 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(C#N)o2)C2(CCC2)CC1 ZINC000880349989 1137775838 /nfs/dbraw/zinc/77/58/38/1137775838.db2.gz QPCUUJXOLZSRBQ-UHFFFAOYSA-N 1 1 345.443 3.517 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cc(C)cs1)[C@H]2CC ZINC001137154297 1137779132 /nfs/dbraw/zinc/77/91/32/1137779132.db2.gz BZKWNWJUFYSVGO-HKUYNNGSSA-N 1 1 332.513 3.978 20 30 EHEDMO CCC[N@H+](Cc1ccccc1)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000131014953 1137845187 /nfs/dbraw/zinc/84/51/87/1137845187.db2.gz HUCBAOKFIVGSTG-UHFFFAOYSA-N 1 1 345.450 3.995 20 30 EHEDMO C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)C1CCCCCCC1 ZINC000134117176 1137940750 /nfs/dbraw/zinc/94/07/50/1137940750.db2.gz XKCKUOABDWNCLK-IBGZPJMESA-N 1 1 330.472 3.537 20 30 EHEDMO Cc1[nH+]ccn1CCCN(C)c1c(C#N)cnc2c(C)cc(F)cc21 ZINC000120235565 1137947678 /nfs/dbraw/zinc/94/76/78/1137947678.db2.gz MUBUHOQGCWWISV-UHFFFAOYSA-N 1 1 337.402 3.585 20 30 EHEDMO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCC1CCOCC1 ZINC000120747632 1137952162 /nfs/dbraw/zinc/95/21/62/1137952162.db2.gz BGJDBGORYQKAHF-UHFFFAOYSA-N 1 1 325.374 3.805 20 30 EHEDMO COc1ccc([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)cc1Br ZINC000030537489 1138002943 /nfs/dbraw/zinc/00/29/43/1138002943.db2.gz BRPOKAIMDPXQEU-VXGBXAGGSA-N 1 1 336.233 3.552 20 30 EHEDMO C#Cc1ccc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c(Cl)c1 ZINC000885669832 1138017561 /nfs/dbraw/zinc/01/75/61/1138017561.db2.gz NFOVXOGPHVTRJZ-SJORKVTESA-N 1 1 338.838 3.605 20 30 EHEDMO C[C@@H]1SCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)[C@H]1c1ccccc1 ZINC000886014039 1138032312 /nfs/dbraw/zinc/03/23/12/1138032312.db2.gz BGVOPWBROKETCE-RYQLBKOJSA-N 1 1 330.497 3.610 20 30 EHEDMO C[C@@H]([NH2+]CC(=O)Nc1nncs1)c1ccc(Cl)cc1Cl ZINC000048553443 1138043473 /nfs/dbraw/zinc/04/34/73/1138043473.db2.gz HRKPEQCQVYDDPX-SSDOTTSWSA-N 1 1 331.228 3.784 20 30 EHEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2C[C@H](O)CC2(C#N)CCC2)c1 ZINC000886123399 1138049114 /nfs/dbraw/zinc/04/91/14/1138049114.db2.gz YDBOVUABJTYRES-WDYCEAGBSA-N 1 1 328.456 3.523 20 30 EHEDMO CC1(C)C[C@H]([N@H+](Cc2ccccc2)C[C@@H](O)CC2(C#N)CCC2)CO1 ZINC000886274483 1138063115 /nfs/dbraw/zinc/06/31/15/1138063115.db2.gz UODMMDBMADWVCC-OALUTQOASA-N 1 1 342.483 3.501 20 30 EHEDMO CCc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC000886278450 1138063567 /nfs/dbraw/zinc/06/35/67/1138063567.db2.gz AAWDKSRFZBCVEZ-UHFFFAOYSA-N 1 1 334.876 3.519 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)C1 ZINC000073016503 1138110274 /nfs/dbraw/zinc/11/02/74/1138110274.db2.gz LDDUMGFNRCFEPV-WMZOPIPTSA-N 1 1 340.471 3.677 20 30 EHEDMO COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(SC)c(C#N)c2)c1 ZINC000886690393 1138115908 /nfs/dbraw/zinc/11/59/08/1138115908.db2.gz VNIZWAPYIRUHNP-LLVKDONJSA-N 1 1 330.409 3.511 20 30 EHEDMO C=CCC1(O)CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000886761539 1138134151 /nfs/dbraw/zinc/13/41/51/1138134151.db2.gz GHVUDKFDBCRWBT-UHFFFAOYSA-N 1 1 332.831 3.898 20 30 EHEDMO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000090665210 1138212328 /nfs/dbraw/zinc/21/23/28/1138212328.db2.gz BZBCUSCEBDEZNF-BEFAXECRSA-N 1 1 342.464 3.786 20 30 EHEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000091334274 1138218512 /nfs/dbraw/zinc/21/85/12/1138218512.db2.gz PPTGNEBVIVTTHE-AWEZNQCLSA-N 1 1 346.906 3.918 20 30 EHEDMO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3cnccc3Cl)C2)c1 ZINC001137238335 1138224108 /nfs/dbraw/zinc/22/41/08/1138224108.db2.gz SZBMNIRAUXIDJD-QGZVFWFLSA-N 1 1 327.815 3.650 20 30 EHEDMO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3cnccc3Cl)C2)c1 ZINC001137238335 1138224111 /nfs/dbraw/zinc/22/41/11/1138224111.db2.gz SZBMNIRAUXIDJD-QGZVFWFLSA-N 1 1 327.815 3.650 20 30 EHEDMO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccn1 ZINC000093338675 1138236223 /nfs/dbraw/zinc/23/62/23/1138236223.db2.gz UTGHEKVXLQZRRY-UHFFFAOYSA-N 1 1 345.450 3.881 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000123956369 1138276841 /nfs/dbraw/zinc/27/68/41/1138276841.db2.gz IMXMCJVDNZBRIN-INIZCTEOSA-N 1 1 335.451 3.843 20 30 EHEDMO CC(C)c1csc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)n1 ZINC000125599766 1138312362 /nfs/dbraw/zinc/31/23/62/1138312362.db2.gz BDSZDIPAJCPTIS-UHFFFAOYSA-N 1 1 328.485 3.906 20 30 EHEDMO CCCCCCCOc1ccc(C[N@H+]2CCCN(C(N)=O)CC2)cc1 ZINC000126770128 1138338397 /nfs/dbraw/zinc/33/83/97/1138338397.db2.gz YBWRFBQTTMDYNU-UHFFFAOYSA-N 1 1 347.503 3.622 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)s1 ZINC000130276373 1138445551 /nfs/dbraw/zinc/44/55/51/1138445551.db2.gz RDCFOENWMLBTNZ-INIZCTEOSA-N 1 1 326.421 3.728 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)s1 ZINC000130276373 1138445553 /nfs/dbraw/zinc/44/55/53/1138445553.db2.gz RDCFOENWMLBTNZ-INIZCTEOSA-N 1 1 326.421 3.728 20 30 EHEDMO C=CCC[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000131056881 1138493661 /nfs/dbraw/zinc/49/36/61/1138493661.db2.gz VWVMOJOXGIPGRR-AABGKKOBSA-N 1 1 341.499 3.820 20 30 EHEDMO C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H](C)[NH+]1Cc1ccc(C#N)cc1 ZINC000337237399 1138503534 /nfs/dbraw/zinc/50/35/34/1138503534.db2.gz LYYCPPVHLYNAJA-QZTJIDSGSA-N 1 1 344.462 3.525 20 30 EHEDMO C[C@H]1C[C@@H](C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CC[N@H+]1C ZINC000887605069 1138517301 /nfs/dbraw/zinc/51/73/01/1138517301.db2.gz QYVKXFVOEPFWFS-KXBFYZLASA-N 1 1 334.419 3.861 20 30 EHEDMO C[C@@H]1C[C@@H](N(C)C(=O)C2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000132533644 1138587463 /nfs/dbraw/zinc/58/74/63/1138587463.db2.gz XZRZQSWDSIQCIX-MJGOQNOKSA-N 1 1 339.483 3.582 20 30 EHEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000889363248 1139195426 /nfs/dbraw/zinc/19/54/26/1139195426.db2.gz SQQJDLHJGNNQHW-YLJYHZDGSA-N 1 1 326.484 3.760 20 30 EHEDMO Cc1oc(NC(=O)C[NH2+]C2(c3cccc(Cl)c3)CC2)c(C#N)c1C ZINC000179671247 1139773304 /nfs/dbraw/zinc/77/33/04/1139773304.db2.gz ZUSYAMYWJSRAOQ-UHFFFAOYSA-N 1 1 343.814 3.639 20 30 EHEDMO C[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000181681912 1139924330 /nfs/dbraw/zinc/92/43/30/1139924330.db2.gz JMMOFUKJOLXCPA-NQIIRXRSSA-N 1 1 333.479 3.773 20 30 EHEDMO C[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000181681912 1139924332 /nfs/dbraw/zinc/92/43/32/1139924332.db2.gz JMMOFUKJOLXCPA-NQIIRXRSSA-N 1 1 333.479 3.773 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182839767 1139996146 /nfs/dbraw/zinc/99/61/46/1139996146.db2.gz SFKMWWIGOQAYLQ-ZDUSSCGKSA-N 1 1 328.382 3.869 20 30 EHEDMO C=CCc1cc(C[N@@H+](C)C[C@H](C)c2nccs2)cc(OC)c1O ZINC000183249764 1140024426 /nfs/dbraw/zinc/02/44/26/1140024426.db2.gz VRHDLVBQNBITNB-ZDUSSCGKSA-N 1 1 332.469 3.821 20 30 EHEDMO Cc1nc(C(F)(F)F)c(C[N@@H+](C)Cc2ccc(C#N)cc2)s1 ZINC000183563824 1140047293 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/nfs/dbraw/zinc/44/57/23/1019445723.db2.gz OWMYRSJZRFDVDJ-DLBZAZTESA-N 1 1 330.428 3.847 20 30 EHEDMO N#Cc1ccc(C2([NH2+]Cc3nnc(C4CC4)n3C3CC3)CCC2)cc1 ZINC000594033657 1032837290 /nfs/dbraw/zinc/83/72/90/1032837290.db2.gz WXWLXYHFZQKCCM-UHFFFAOYSA-N 1 1 333.439 3.531 20 30 EHEDMO CC[N@@H+](CCCNC(=O)Nc1cccc(CC#N)c1)C1CCCCC1 ZINC000593220078 1032839107 /nfs/dbraw/zinc/83/91/07/1032839107.db2.gz VAGZVAZSCNIWTE-UHFFFAOYSA-N 1 1 342.487 3.919 20 30 EHEDMO N#Cc1ccc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)nc1 ZINC000594034414 1032839943 /nfs/dbraw/zinc/83/99/43/1032839943.db2.gz DLLOCIMURGYJHG-UHFFFAOYSA-N 1 1 333.313 3.631 20 30 EHEDMO CC(C)c1ccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000513666399 1019932725 /nfs/dbraw/zinc/93/27/25/1019932725.db2.gz MGHQZIDHEKHJFI-GCJKJVERSA-N 1 1 345.446 3.655 20 30 EHEDMO CC(C)c1ccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000513666399 1019932728 /nfs/dbraw/zinc/93/27/28/1019932728.db2.gz MGHQZIDHEKHJFI-GCJKJVERSA-N 1 1 345.446 3.655 20 30 EHEDMO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1Cl)C(=O)NC1(C#N)CCC1 ZINC000345164633 1019999758 /nfs/dbraw/zinc/99/97/58/1019999758.db2.gz JUSBGNSCPDOXLI-GHMZBOCLSA-N 1 1 340.254 3.595 20 30 EHEDMO CCC[C@@](C)(CC)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000280099571 1020080683 /nfs/dbraw/zinc/08/06/83/1020080683.db2.gz ZUPUBYASDVQODS-OAQYLSRUSA-N 1 1 341.499 3.809 20 30 EHEDMO CCC[C@@](C)(CC)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000280099571 1020080687 /nfs/dbraw/zinc/08/06/87/1020080687.db2.gz ZUPUBYASDVQODS-OAQYLSRUSA-N 1 1 341.499 3.809 20 30 EHEDMO N#Cc1ccccc1OCC[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000345247950 1020097621 /nfs/dbraw/zinc/09/76/21/1020097621.db2.gz VXGMEBWZKMAXDZ-QGZVFWFLSA-N 1 1 342.464 3.680 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@](C)(OC)CC1 ZINC000280229387 1020213017 /nfs/dbraw/zinc/21/30/17/1020213017.db2.gz AISXCOMMHSMGGX-IBGZPJMESA-N 1 1 348.512 3.794 20 30 EHEDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(-c3ccccc3C#N)cc1)CCO2 ZINC000280385110 1020352105 /nfs/dbraw/zinc/35/21/05/1020352105.db2.gz KBMXWDHFDOIYAR-JTSKRJEESA-N 1 1 348.446 3.605 20 30 EHEDMO CCC[N@@H+](CCOc1cccc(C#N)c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC001167443673 1020374875 /nfs/dbraw/zinc/37/48/75/1020374875.db2.gz ZMDHKYHEHRIUAM-MOPGFXCFSA-N 1 1 330.472 3.853 20 30 EHEDMO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCC(C)(C)C#N ZINC000345736780 1020486443 /nfs/dbraw/zinc/48/64/43/1020486443.db2.gz FEAJLZMNCPGUSX-YLJYHZDGSA-N 1 1 342.531 3.862 20 30 EHEDMO C=CCCC1(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)CC1 ZINC000341071392 1020952903 /nfs/dbraw/zinc/95/29/03/1020952903.db2.gz BXUIACPIQMNPDY-SFHVURJKSA-N 1 1 338.451 3.973 20 30 EHEDMO C#CCC1([NH2+][C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CCC1 ZINC000933298023 1021031341 /nfs/dbraw/zinc/03/13/41/1021031341.db2.gz AUOAGEVCYVXOQO-ZDUSSCGKSA-N 1 1 329.831 3.910 20 30 EHEDMO C#CCC1([NH2+]Cc2nc(-c3cccc(Br)c3)no2)CCC1 ZINC000933301765 1021066826 /nfs/dbraw/zinc/06/68/26/1021066826.db2.gz BBNQVNVYXHSVDA-UHFFFAOYSA-N 1 1 346.228 3.535 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000624548606 1021108112 /nfs/dbraw/zinc/10/81/12/1021108112.db2.gz SVNHWYRWJDSZTM-QGZVFWFLSA-N 1 1 347.528 3.853 20 30 EHEDMO CSCC[C@H](C)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000126638952 1021131087 /nfs/dbraw/zinc/13/10/87/1021131087.db2.gz SLWPZKMFBBKWHH-LBPRGKRZSA-N 1 1 339.892 3.614 20 30 EHEDMO C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000516245777 1021226019 /nfs/dbraw/zinc/22/60/19/1021226019.db2.gz SZIOTVTZVKRAMA-DLBZAZTESA-N 1 1 347.478 3.644 20 30 EHEDMO C=CC[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000625702469 1021341848 /nfs/dbraw/zinc/34/18/48/1021341848.db2.gz GNMITKVQHFJCLN-ZDUSSCGKSA-N 1 1 326.362 3.932 20 30 EHEDMO C[C@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCCC[C@@H]1C ZINC000337354166 1021422538 /nfs/dbraw/zinc/42/25/38/1021422538.db2.gz CSZNKWFPQCBVTN-QWHCGFSZSA-N 1 1 334.851 3.596 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000449666244 1033006116 /nfs/dbraw/zinc/00/61/16/1033006116.db2.gz DLKHSNDNZQBGHY-IUODEOHRSA-N 1 1 349.780 3.650 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000449666244 1033006133 /nfs/dbraw/zinc/00/61/33/1033006133.db2.gz DLKHSNDNZQBGHY-IUODEOHRSA-N 1 1 349.780 3.650 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000449666243 1033004581 /nfs/dbraw/zinc/00/45/81/1033004581.db2.gz DLKHSNDNZQBGHY-DOMZBBRYSA-N 1 1 349.780 3.650 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000449666243 1033004594 /nfs/dbraw/zinc/00/45/94/1033004594.db2.gz DLKHSNDNZQBGHY-DOMZBBRYSA-N 1 1 349.780 3.650 20 30 EHEDMO Cc1sc(NC(=O)C[N@@H+](C2CC2)C2CCCCC2)c(C#N)c1C ZINC000610542648 1021902404 /nfs/dbraw/zinc/90/24/04/1021902404.db2.gz XUAYATILQFSAGW-UHFFFAOYSA-N 1 1 331.485 3.972 20 30 EHEDMO C=CCCN(C)c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000341458179 1021948834 /nfs/dbraw/zinc/94/88/34/1021948834.db2.gz JSDPWUAJZNJZQN-UHFFFAOYSA-N 1 1 330.501 3.916 20 30 EHEDMO Cc1ccccc1[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)[C@@H](C)CO1 ZINC000282075168 1033026356 /nfs/dbraw/zinc/02/63/56/1033026356.db2.gz TXIPGUMOBBVSFY-AZUAARDMSA-N 1 1 342.483 3.857 20 30 EHEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc2ccccc2c1 ZINC000506114642 1022083220 /nfs/dbraw/zinc/08/32/20/1022083220.db2.gz SXQBFUOKIIKOPS-UHFFFAOYSA-N 1 1 326.403 3.991 20 30 EHEDMO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000441359594 1022174972 /nfs/dbraw/zinc/17/49/72/1022174972.db2.gz CGRAINKLRQLWBQ-ZVDOUQERSA-N 1 1 341.499 3.617 20 30 EHEDMO Cc1nc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(Cl)cc1C#N ZINC000517269587 1022184457 /nfs/dbraw/zinc/18/44/57/1022184457.db2.gz RTAULGFCPFLESV-OCCSQVGLSA-N 1 1 332.879 3.980 20 30 EHEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000441374672 1022195493 /nfs/dbraw/zinc/19/54/93/1022195493.db2.gz GEMRLYKCLRBEJE-PMACEKPBSA-N 1 1 326.484 3.764 20 30 EHEDMO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602629760 1033042105 /nfs/dbraw/zinc/04/21/05/1033042105.db2.gz JNDLMVYRSNCFPH-LLVKDONJSA-N 1 1 346.228 3.575 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000895018713 1022404265 /nfs/dbraw/zinc/40/42/65/1022404265.db2.gz UKPMDIZDQDVNJN-KYJSFNMBSA-N 1 1 343.471 3.854 20 30 EHEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000472325299 1033055111 /nfs/dbraw/zinc/05/51/11/1033055111.db2.gz XRHTVVCREAGOOG-YLJYHZDGSA-N 1 1 347.462 3.840 20 30 EHEDMO Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2CCCc3sccc32)CC1 ZINC000328713815 1022474482 /nfs/dbraw/zinc/47/44/82/1022474482.db2.gz CUEISSXRHWEWQC-OAHLLOKOSA-N 1 1 344.484 3.527 20 30 EHEDMO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1)C1CC1 ZINC000328758102 1022482042 /nfs/dbraw/zinc/48/20/42/1022482042.db2.gz VPCDFOHAJQCXTJ-UKRRQHHQSA-N 1 1 343.393 3.690 20 30 EHEDMO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1)C1CC1 ZINC000328758102 1022482050 /nfs/dbraw/zinc/48/20/50/1022482050.db2.gz VPCDFOHAJQCXTJ-UKRRQHHQSA-N 1 1 343.393 3.690 20 30 EHEDMO Cc1nn(C(C)C)c(C)c1CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000328831437 1022507901 /nfs/dbraw/zinc/50/79/01/1022507901.db2.gz KJLQIIXNVFLLBG-ALOPSCKCSA-N 1 1 332.492 3.595 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000425971406 1022510340 /nfs/dbraw/zinc/51/03/40/1022510340.db2.gz OWKNHSJQQBNGFD-KURKYZTESA-N 1 1 347.890 3.835 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000425971406 1022510345 /nfs/dbraw/zinc/51/03/45/1022510345.db2.gz OWKNHSJQQBNGFD-KURKYZTESA-N 1 1 347.890 3.835 20 30 EHEDMO C[C@]1(CNC(=O)[C@H]2CCCC(=O)N2)CCC[N@H+]1Cc1ccccc1 ZINC000328841519 1022513809 /nfs/dbraw/zinc/51/38/09/1022513809.db2.gz ZOBSMJBXERYYHV-VQIMIIECSA-N 1 1 329.444 3.507 20 30 EHEDMO Cc1oc(C(C)C)cc1C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000330580826 1022621599 /nfs/dbraw/zinc/62/15/99/1022621599.db2.gz QESWTVSUWPCLGL-KBPBESRZSA-N 1 1 336.476 3.904 20 30 EHEDMO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000141416543 1022662813 /nfs/dbraw/zinc/66/28/13/1022662813.db2.gz LNGAETRDMDUAGO-SFHVURJKSA-N 1 1 340.858 3.880 20 30 EHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCSC2(CCCCC2)C1 ZINC000430776163 1022678755 /nfs/dbraw/zinc/67/87/55/1022678755.db2.gz OBRXYTVLVRPGBT-HNNXBMFYSA-N 1 1 343.496 3.637 20 30 EHEDMO CC(C)Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000330782536 1022683381 /nfs/dbraw/zinc/68/33/81/1022683381.db2.gz PPWPMPSEQAZADI-KRWDZBQOSA-N 1 1 341.499 3.688 20 30 EHEDMO CCOc1c(Cl)cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000330890481 1022706624 /nfs/dbraw/zinc/70/66/24/1022706624.db2.gz BXJACTHZQUGKBA-WCQYABFASA-N 1 1 340.851 3.535 20 30 EHEDMO CC(C)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000438487067 1022710089 /nfs/dbraw/zinc/71/00/89/1022710089.db2.gz DECXIGYSTLROAG-JKSUJKDBSA-N 1 1 345.512 3.997 20 30 EHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000517853145 1022755418 /nfs/dbraw/zinc/75/54/18/1022755418.db2.gz BRVQQTHHPULYDZ-JOCHJYFZSA-N 1 1 349.478 3.859 20 30 EHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000517853145 1022755433 /nfs/dbraw/zinc/75/54/33/1022755433.db2.gz BRVQQTHHPULYDZ-JOCHJYFZSA-N 1 1 349.478 3.859 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000426046083 1022758104 /nfs/dbraw/zinc/75/81/04/1022758104.db2.gz DFVDJZXKVOBCBS-MISYRCLQSA-N 1 1 341.499 3.790 20 30 EHEDMO CO[C@H]1C[C@@H](C(=O)Nc2cccc(COC3CCCCC3)c2)[N@H+](C)C1 ZINC000328951245 1022801454 /nfs/dbraw/zinc/80/14/54/1022801454.db2.gz NPBRPWMCBOODKN-OALUTQOASA-N 1 1 346.471 3.843 20 30 EHEDMO CO[C@H]1C[C@@H](C(=O)Nc2cccc(COC3CCCCC3)c2)[N@@H+](C)C1 ZINC000328951245 1022801463 /nfs/dbraw/zinc/80/14/63/1022801463.db2.gz NPBRPWMCBOODKN-OALUTQOASA-N 1 1 346.471 3.843 20 30 EHEDMO CC(C)CO[C@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000438658729 1022893728 /nfs/dbraw/zinc/89/37/28/1022893728.db2.gz WTMYUZHYYVWDMZ-KRWDZBQOSA-N 1 1 341.373 3.684 20 30 EHEDMO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000426122336 1022944284 /nfs/dbraw/zinc/94/42/84/1022944284.db2.gz HXQQNCZOSIALIJ-LBPRGKRZSA-N 1 1 327.255 3.845 20 30 EHEDMO N#CCc1ccc(C[NH2+]Cc2nnn(-c3ccccc3)c2C2CC2)cc1 ZINC000602700207 1033088657 /nfs/dbraw/zinc/08/86/57/1033088657.db2.gz MHHZZEJWYNYLQW-UHFFFAOYSA-N 1 1 343.434 3.501 20 30 EHEDMO C[NH+](C)[C@H](C(=O)NCC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000598316065 1033098017 /nfs/dbraw/zinc/09/80/17/1033098017.db2.gz IHXUARSGZUXRTA-INIZCTEOSA-N 1 1 333.863 3.533 20 30 EHEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000426144951 1022987391 /nfs/dbraw/zinc/98/73/91/1022987391.db2.gz XEPOIOQEPLKALT-ZDUSSCGKSA-N 1 1 348.878 3.844 20 30 EHEDMO COc1cc(C[NH2+]CCC#N)ccc1OCc1ccc(Cl)cc1 ZINC000337977478 1023085154 /nfs/dbraw/zinc/08/51/54/1023085154.db2.gz HFJRVHUFCGCLOQ-UHFFFAOYSA-N 1 1 330.815 3.931 20 30 EHEDMO N#Cc1cccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000506415079 1023096513 /nfs/dbraw/zinc/09/65/13/1023096513.db2.gz IBMFXOUEGSJPTB-UHFFFAOYSA-N 1 1 345.368 3.899 20 30 EHEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000427024667 1023164894 /nfs/dbraw/zinc/16/48/94/1023164894.db2.gz XFVVADWFMVGQOU-FUHWJXTLSA-N 1 1 346.902 3.708 20 30 EHEDMO COc1ccccc1C[C@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000476295469 1033117041 /nfs/dbraw/zinc/11/70/41/1033117041.db2.gz LJPIDZUSLBGELU-LJQANCHMSA-N 1 1 336.435 3.653 20 30 EHEDMO CC(C)Oc1cccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000507287657 1023234830 /nfs/dbraw/zinc/23/48/30/1023234830.db2.gz UWERYCBWBBYBRT-UHFFFAOYSA-N 1 1 335.451 3.668 20 30 EHEDMO C[NH+](C)[C@@H](CNC(=O)C1(C#N)CCCCC1)c1ccccc1Cl ZINC000057419312 1023282213 /nfs/dbraw/zinc/28/22/13/1023282213.db2.gz IKECSXMGXZFINK-INIZCTEOSA-N 1 1 333.863 3.533 20 30 EHEDMO CN(C[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1)C(=O)OC(C)(C)C ZINC000092128038 1023309544 /nfs/dbraw/zinc/30/95/44/1023309544.db2.gz HKISKNBYEMZUGM-MRXNPFEDSA-N 1 1 337.508 3.895 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000337949040 1023350810 /nfs/dbraw/zinc/35/08/10/1023350810.db2.gz ZZBSLSHJZBCDLX-KRWDZBQOSA-N 1 1 347.462 3.603 20 30 EHEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(C#N)cc2)C1 ZINC000058952344 1033130872 /nfs/dbraw/zinc/13/08/72/1033130872.db2.gz ZEDPHMQZLOKUBI-QGZVFWFLSA-N 1 1 347.462 3.720 20 30 EHEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000535810025 1023651554 /nfs/dbraw/zinc/65/15/54/1023651554.db2.gz WGXGKHIZKAOEAR-NQIIRXRSSA-N 1 1 326.484 3.700 20 30 EHEDMO C=CCOc1cccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000535810025 1023651558 /nfs/dbraw/zinc/65/15/58/1023651558.db2.gz WGXGKHIZKAOEAR-NQIIRXRSSA-N 1 1 326.484 3.700 20 30 EHEDMO C=CCOc1cccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000535810025 1023651564 /nfs/dbraw/zinc/65/15/64/1023651564.db2.gz WGXGKHIZKAOEAR-NQIIRXRSSA-N 1 1 326.484 3.700 20 30 EHEDMO C=CCOc1cccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000535810025 1023651572 /nfs/dbraw/zinc/65/15/72/1023651572.db2.gz WGXGKHIZKAOEAR-NQIIRXRSSA-N 1 1 326.484 3.700 20 30 EHEDMO COCC1(C#N)CC[NH+]([C@H](C)c2cccc(Br)c2)CC1 ZINC000341972595 1023727107 /nfs/dbraw/zinc/72/71/07/1023727107.db2.gz GCSBCPFLBOCTKT-CYBMUJFWSA-N 1 1 337.261 3.762 20 30 EHEDMO C=CCNC(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000342062842 1023812989 /nfs/dbraw/zinc/81/29/89/1023812989.db2.gz NLZYLHKPNQDOGX-IBGZPJMESA-N 1 1 345.487 3.774 20 30 EHEDMO Cc1cccc2c1ncc(C#N)c2N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000610946696 1023894619 /nfs/dbraw/zinc/89/46/19/1023894619.db2.gz IDENRUCJYUZJCI-UZLBHIALSA-N 1 1 346.478 3.868 20 30 EHEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCCC[C@@H]1O ZINC000181451842 1023940331 /nfs/dbraw/zinc/94/03/31/1023940331.db2.gz LAHSEIFBQGFTGE-RDJZCZTQSA-N 1 1 325.374 3.540 20 30 EHEDMO C=CCC(C)(C)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000550492332 1023988668 /nfs/dbraw/zinc/98/86/68/1023988668.db2.gz VDXJWODIQWEXFA-UHFFFAOYSA-N 1 1 336.520 3.519 20 30 EHEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cnn(C2CCCCC2)c1C ZINC000329702421 1024106228 /nfs/dbraw/zinc/10/62/28/1024106228.db2.gz IDBCOTOEBISZNS-KRWDZBQOSA-N 1 1 332.492 3.876 20 30 EHEDMO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1OC ZINC000428315372 1024170847 /nfs/dbraw/zinc/17/08/47/1024170847.db2.gz ZUHYAVWKHVYZFP-ZDUSSCGKSA-N 1 1 328.387 3.955 20 30 EHEDMO Fc1ccc(C#CCN2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000443588403 1024180368 /nfs/dbraw/zinc/18/03/68/1024180368.db2.gz DGIHDTHNFRWLSK-UHFFFAOYSA-N 1 1 328.475 3.765 20 30 EHEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000329809729 1024203814 /nfs/dbraw/zinc/20/38/14/1024203814.db2.gz BDBXVSXXFFMQFG-BZNIZROVSA-N 1 1 344.846 3.517 20 30 EHEDMO CC[C@H](CNC(=O)[C@@H]1CCCCC(=O)N1)[N@H+]1CCc2ccccc2C1 ZINC000329886605 1024236129 /nfs/dbraw/zinc/23/61/29/1024236129.db2.gz WIKIQGCOGSJQCT-MSOLQXFVSA-N 1 1 343.471 3.679 20 30 EHEDMO C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCC(Oc2ccccn2)CC1 ZINC000329915548 1024249708 /nfs/dbraw/zinc/24/97/08/1024249708.db2.gz PRNCDUISERIQKN-MRXNPFEDSA-N 1 1 345.487 3.850 20 30 EHEDMO CC[C@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000425119699 1024251001 /nfs/dbraw/zinc/25/10/01/1024251001.db2.gz ZVNNYPZLJOIUCP-DYESRHJHSA-N 1 1 349.478 3.988 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000425127774 1024276343 /nfs/dbraw/zinc/27/63/43/1024276343.db2.gz JJMNQZQQAUEIFD-VQIMIIECSA-N 1 1 339.483 3.732 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC000330027291 1024293664 /nfs/dbraw/zinc/29/36/64/1024293664.db2.gz MVOANQRZRAJCHX-HPUBIQBYSA-N 1 1 335.492 3.743 20 30 EHEDMO C=CCC[C@H]([NH2+]Cc1nnc(C)n1C)c1ccc(C(F)(F)F)cc1 ZINC000342192833 1024357207 /nfs/dbraw/zinc/35/72/07/1024357207.db2.gz MATKAOSGTGTLID-HNNXBMFYSA-N 1 1 338.377 3.939 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)ccc1OC ZINC000430113510 1024380099 /nfs/dbraw/zinc/38/00/99/1024380099.db2.gz LPYJPKPDPVPAKO-IBGZPJMESA-N 1 1 345.483 3.899 20 30 EHEDMO C=CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CCc1ccccc1 ZINC000434834691 1024446782 /nfs/dbraw/zinc/44/67/82/1024446782.db2.gz UCJVNDJFACMYBA-UHFFFAOYSA-N 1 1 333.435 3.618 20 30 EHEDMO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000514483685 1024499931 /nfs/dbraw/zinc/49/99/31/1024499931.db2.gz MAVCOFHNCLGWGE-NRFANRHFSA-N 1 1 347.462 3.943 20 30 EHEDMO CC(C)[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc2c(c1)OCCO2 ZINC000428290075 1024532383 /nfs/dbraw/zinc/53/23/83/1024532383.db2.gz WMECOWHKVXOZFB-HXUWFJFHSA-N 1 1 340.398 3.955 20 30 EHEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001141662415 1024555526 /nfs/dbraw/zinc/55/55/26/1024555526.db2.gz IZIMNLIMEGXOHH-UHFFFAOYSA-N 1 1 343.224 3.585 20 30 EHEDMO N#Cc1ccc(Br)c(C[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001141662415 1024555534 /nfs/dbraw/zinc/55/55/34/1024555534.db2.gz IZIMNLIMEGXOHH-UHFFFAOYSA-N 1 1 343.224 3.585 20 30 EHEDMO CCC[C@@]1(C)CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC001167509515 1024772788 /nfs/dbraw/zinc/77/27/88/1024772788.db2.gz OKWDHUPTQAZAND-CTNGQTDRSA-N 1 1 339.483 3.956 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)cc1F ZINC000602889475 1033236046 /nfs/dbraw/zinc/23/60/46/1033236046.db2.gz WHELXKIHASZPDF-KRWDZBQOSA-N 1 1 332.382 3.630 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)[C@@H](C)CO1 ZINC000508018311 1024845527 /nfs/dbraw/zinc/84/55/27/1024845527.db2.gz YIVPGQKXRAGDCV-DLBZAZTESA-N 1 1 336.435 3.746 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)[C@@H](C)CO1 ZINC000508018311 1024845551 /nfs/dbraw/zinc/84/55/51/1024845551.db2.gz YIVPGQKXRAGDCV-DLBZAZTESA-N 1 1 336.435 3.746 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000025410593 1024858191 /nfs/dbraw/zinc/85/81/91/1024858191.db2.gz DHQBCTNSFHSDEF-SFHVURJKSA-N 1 1 347.462 3.689 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000025410593 1024858209 /nfs/dbraw/zinc/85/82/09/1024858209.db2.gz DHQBCTNSFHSDEF-SFHVURJKSA-N 1 1 347.462 3.689 20 30 EHEDMO CC1(C#N)CC[NH+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000514973039 1024935776 /nfs/dbraw/zinc/93/57/76/1024935776.db2.gz UOGIVTYDQZZTMS-UHFFFAOYSA-N 1 1 330.325 3.892 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000346613449 1024954521 /nfs/dbraw/zinc/95/45/21/1024954521.db2.gz YMPJBTMQQTWKAB-LBPRGKRZSA-N 1 1 342.270 3.748 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000346613449 1024954527 /nfs/dbraw/zinc/95/45/27/1024954527.db2.gz YMPJBTMQQTWKAB-LBPRGKRZSA-N 1 1 342.270 3.748 20 30 EHEDMO Cc1nc2c(n1[C@@H]1CC[N@H+]([C@H](C)C(=O)NC3CCCC3)C1)CCCC2 ZINC000330343357 1025028488 /nfs/dbraw/zinc/02/84/88/1025028488.db2.gz BXLYNJKJNYWWJK-RHSMWYFYSA-N 1 1 344.503 3.605 20 30 EHEDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccccc2-c2ccccc2C#N)C[C@@H]1C ZINC000346765460 1025062164 /nfs/dbraw/zinc/06/21/64/1025062164.db2.gz HJKTWXGLBZEMFM-IRXDYDNUSA-N 1 1 347.462 3.780 20 30 EHEDMO C=CCC[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000435765305 1025127020 /nfs/dbraw/zinc/12/70/20/1025127020.db2.gz SLOOQHKCXDCRFB-RTBURBONSA-N 1 1 327.472 3.572 20 30 EHEDMO C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ncc(-c2ccccc2)o1 ZINC000184865925 1025184933 /nfs/dbraw/zinc/18/49/33/1025184933.db2.gz RRRAJCMMPRZPLK-KBXCAEBGSA-N 1 1 333.391 3.597 20 30 EHEDMO Cc1cc(C)c(C#N)c(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1 ZINC000185483828 1025240096 /nfs/dbraw/zinc/24/00/96/1025240096.db2.gz CPRFNZJORFUXQZ-HNNXBMFYSA-N 1 1 326.469 3.515 20 30 EHEDMO Fc1cc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc(F)c1F ZINC000896227622 1025263540 /nfs/dbraw/zinc/26/35/40/1025263540.db2.gz NOMDIDOFOVEFNB-LBPRGKRZSA-N 1 1 327.243 3.970 20 30 EHEDMO Fc1cc(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc(F)c1F ZINC000896227622 1025263551 /nfs/dbraw/zinc/26/35/51/1025263551.db2.gz NOMDIDOFOVEFNB-LBPRGKRZSA-N 1 1 327.243 3.970 20 30 EHEDMO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142527112 1033271961 /nfs/dbraw/zinc/27/19/61/1033271961.db2.gz KXPJJXSJZPPWSE-OAHLLOKOSA-N 1 1 344.361 3.585 20 30 EHEDMO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142527112 1033271970 /nfs/dbraw/zinc/27/19/70/1033271970.db2.gz KXPJJXSJZPPWSE-OAHLLOKOSA-N 1 1 344.361 3.585 20 30 EHEDMO N#CCCn1cc(C(=O)C[N@H+]2CC[C@@H](C3CCC3)C2)c2ccccc21 ZINC000665286156 1025334301 /nfs/dbraw/zinc/33/43/01/1025334301.db2.gz GLTWWBNNPWLCAD-QGZVFWFLSA-N 1 1 335.451 3.860 20 30 EHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000346952475 1025346438 /nfs/dbraw/zinc/34/64/38/1025346438.db2.gz DHFZXSRQMXNQGI-MRXNPFEDSA-N 1 1 329.492 3.972 20 30 EHEDMO CC(C)(C#N)CC[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000346952475 1025346448 /nfs/dbraw/zinc/34/64/48/1025346448.db2.gz DHFZXSRQMXNQGI-MRXNPFEDSA-N 1 1 329.492 3.972 20 30 EHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000346952475 1025346464 /nfs/dbraw/zinc/34/64/64/1025346464.db2.gz DHFZXSRQMXNQGI-MRXNPFEDSA-N 1 1 329.492 3.972 20 30 EHEDMO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000347002829 1025398908 /nfs/dbraw/zinc/39/89/08/1025398908.db2.gz DLAZQRGPAGIWNX-ZFWWWQNUSA-N 1 1 349.272 3.569 20 30 EHEDMO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000347002829 1025398923 /nfs/dbraw/zinc/39/89/23/1025398923.db2.gz DLAZQRGPAGIWNX-ZFWWWQNUSA-N 1 1 349.272 3.569 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)cc1 ZINC000896530644 1025517082 /nfs/dbraw/zinc/51/70/82/1025517082.db2.gz GIFCVFDGXJLFAV-RDJZCZTQSA-N 1 1 341.480 3.889 20 30 EHEDMO C=CC[NH+](CC=C)CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1 ZINC000302806759 1033290599 /nfs/dbraw/zinc/29/05/99/1033290599.db2.gz FLMIOMSPYACZJM-FQEVSTJZSA-N 1 1 340.492 3.936 20 30 EHEDMO Cc1sc(NC(=O)C[N@H+](C)CCc2ccccc2C)c(C#N)c1C ZINC000451168266 1025628956 /nfs/dbraw/zinc/62/89/56/1025628956.db2.gz UYGDVMVNGADCHL-UHFFFAOYSA-N 1 1 341.480 3.658 20 30 EHEDMO Cc1sc(NC(=O)C[N@@H+](C)CCc2ccccc2C)c(C#N)c1C ZINC000451168266 1025628962 /nfs/dbraw/zinc/62/89/62/1025628962.db2.gz UYGDVMVNGADCHL-UHFFFAOYSA-N 1 1 341.480 3.658 20 30 EHEDMO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1F ZINC000425532754 1025655547 /nfs/dbraw/zinc/65/55/47/1025655547.db2.gz KCDGFBBUYWAXAD-CYBMUJFWSA-N 1 1 326.371 3.677 20 30 EHEDMO CC[N@@H+](CCOc1ccccc1C#N)[C@H](C)Cc1ccc(OC)cc1 ZINC000521809255 1025684298 /nfs/dbraw/zinc/68/42/98/1025684298.db2.gz ZXODWBHVHMJTIV-QGZVFWFLSA-N 1 1 338.451 3.899 20 30 EHEDMO N#Cc1ccc(Br)cc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC001141902946 1025688949 /nfs/dbraw/zinc/68/89/49/1025688949.db2.gz KPAHTGAKQTVRIT-AWEZNQCLSA-N 1 1 342.240 3.705 20 30 EHEDMO N#Cc1ccc(Br)cc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001141902946 1025688952 /nfs/dbraw/zinc/68/89/52/1025688952.db2.gz KPAHTGAKQTVRIT-AWEZNQCLSA-N 1 1 342.240 3.705 20 30 EHEDMO Cc1cccc(C)c1OC[C@@H](O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425541567 1025692038 /nfs/dbraw/zinc/69/20/38/1025692038.db2.gz PPLYDCVGAOOZCW-XLIONFOSSA-N 1 1 338.451 3.608 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000425543311 1025700383 /nfs/dbraw/zinc/70/03/83/1025700383.db2.gz ZFNYMIRRNRDMAY-CQSZACIVSA-N 1 1 325.387 3.719 20 30 EHEDMO CC(C)(C)C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000530356446 1025701172 /nfs/dbraw/zinc/70/11/72/1025701172.db2.gz MBMISVDAVXFFOY-UHFFFAOYSA-N 1 1 333.863 3.908 20 30 EHEDMO COC(=O)c1cc(F)ccc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425543101 1025702174 /nfs/dbraw/zinc/70/21/74/1025702174.db2.gz ZCPHTOHUWPTHAH-ZDUSSCGKSA-N 1 1 326.371 3.677 20 30 EHEDMO COC(=O)c1cc(F)ccc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425543101 1025702192 /nfs/dbraw/zinc/70/21/92/1025702192.db2.gz ZCPHTOHUWPTHAH-ZDUSSCGKSA-N 1 1 326.371 3.677 20 30 EHEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)[C@H](c2ccccc2)CO1 ZINC000281921602 1025705857 /nfs/dbraw/zinc/70/58/57/1025705857.db2.gz HIEKEYOAPROUIC-MJGOQNOKSA-N 1 1 328.456 3.549 20 30 EHEDMO CC[C@@H]1[C@H](CO)CC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000451262654 1025719010 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CCN(Cc1ccc(C[N@H+](CC)C[C@@H](C)C#N)cc1)C[C@@H](C)C#N ZINC000103469649 1026091848 /nfs/dbraw/zinc/09/18/48/1026091848.db2.gz XBXGQVQKBVMFSS-ROUUACIJSA-N 1 1 326.488 3.650 20 30 EHEDMO CCN(Cc1ccc(C[N@@H+](CC)C[C@@H](C)C#N)cc1)C[C@@H](C)C#N ZINC000103469649 1026091868 /nfs/dbraw/zinc/09/18/68/1026091868.db2.gz XBXGQVQKBVMFSS-ROUUACIJSA-N 1 1 326.488 3.650 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000451737361 1026272189 /nfs/dbraw/zinc/27/21/89/1026272189.db2.gz QBNQZLCHMAVZGE-QGZVFWFLSA-N 1 1 333.863 3.629 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000451737361 1026272201 /nfs/dbraw/zinc/27/22/01/1026272201.db2.gz QBNQZLCHMAVZGE-QGZVFWFLSA-N 1 1 333.863 3.629 20 30 EHEDMO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3C)CC2)c1 ZINC000186167535 1026302422 /nfs/dbraw/zinc/30/24/22/1026302422.db2.gz FCCMHNUZKNTHAS-UHFFFAOYSA-N 1 1 347.462 3.523 20 30 EHEDMO CC[N@@H+](CCCc1nc(-c2ccc(C)c(F)c2)no1)C[C@@H](C)C#N ZINC000104676247 1026358487 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C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000420924379 1027872061 /nfs/dbraw/zinc/87/20/61/1027872061.db2.gz JWIKQUWFBNVCCX-CRAIPNDOSA-N 1 1 328.456 3.695 20 30 EHEDMO C[C@H]1C[C@H](CO)C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000420941037 1027892638 /nfs/dbraw/zinc/89/26/38/1027892638.db2.gz NKUQMTBLVKAWRD-PMACEKPBSA-N 1 1 348.490 3.837 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000420943196 1027940817 /nfs/dbraw/zinc/94/08/17/1027940817.db2.gz HVRZZQPCFUWGLX-CQSZACIVSA-N 1 1 339.361 3.551 20 30 EHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000115555988 1027981861 /nfs/dbraw/zinc/98/18/61/1027981861.db2.gz IELHGVGXVSOPMB-ZIFCJYIRSA-N 1 1 339.483 3.596 20 30 EHEDMO C[C@](O)(C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1)C(F)(F)F ZINC000545932600 1027987680 /nfs/dbraw/zinc/98/76/80/1027987680.db2.gz UDYLJAGHAKTGHW-INIZCTEOSA-N 1 1 345.792 3.717 20 30 EHEDMO C=CCCCN(CC)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000892312623 1028004495 /nfs/dbraw/zinc/00/44/95/1028004495.db2.gz FQSYGBYWNADSEZ-UHFFFAOYSA-N 1 1 344.434 3.818 20 30 EHEDMO CC[C@H](c1ccccc1)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC(C)C ZINC000533523258 1028044136 /nfs/dbraw/zinc/04/41/36/1028044136.db2.gz IXRUEYHIVZTITO-TZIWHRDSSA-N 1 1 341.499 3.904 20 30 EHEDMO CCC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000533538697 1028047955 /nfs/dbraw/zinc/04/79/55/1028047955.db2.gz LJPLDSCOQQHLFJ-UHOSZYNNSA-N 1 1 328.456 3.592 20 30 EHEDMO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1C#N ZINC000533559803 1028085142 /nfs/dbraw/zinc/08/51/42/1028085142.db2.gz ILJQCKOVPDMEQG-MRXNPFEDSA-N 1 1 342.826 3.874 20 30 EHEDMO COc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1C#N ZINC000533559803 1028085158 /nfs/dbraw/zinc/08/51/58/1028085158.db2.gz ILJQCKOVPDMEQG-MRXNPFEDSA-N 1 1 342.826 3.874 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCCc2ccccc2)c(C#N)c1C ZINC000052802827 1028131418 /nfs/dbraw/zinc/13/14/18/1028131418.db2.gz SIQWWGKLMAOKIP-HNNXBMFYSA-N 1 1 339.439 3.660 20 30 EHEDMO CCC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000120875414 1028179808 /nfs/dbraw/zinc/17/98/08/1028179808.db2.gz MWCJAAIUSFRQNI-HNNXBMFYSA-N 1 1 331.485 3.753 20 30 EHEDMO CCC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000120875414 1028179820 /nfs/dbraw/zinc/17/98/20/1028179820.db2.gz MWCJAAIUSFRQNI-HNNXBMFYSA-N 1 1 331.485 3.753 20 30 EHEDMO C[C@H]([NH2+][C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000423372057 1028376885 /nfs/dbraw/zinc/37/68/85/1028376885.db2.gz QXVFOCREAALBFB-QKMWGZLOSA-N 1 1 341.405 3.633 20 30 EHEDMO C=C1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000523606794 1028463419 /nfs/dbraw/zinc/46/34/19/1028463419.db2.gz VYQNHMWXBMLBCO-IAGOWNOFSA-N 1 1 326.484 3.783 20 30 EHEDMO C=CCN(CCc1ccccc1)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001125642454 1028487013 /nfs/dbraw/zinc/48/70/13/1028487013.db2.gz NUQDIRJQDONXHB-QFIPXVFZSA-N 1 1 348.490 3.766 20 30 EHEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cscc2C#N)CC1 ZINC000343013348 1028653224 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C=CCn1cc(C[NH2+][C@H](CC)c2ccc3cc(OC)ccc3c2)nn1 ZINC000424292071 1028933473 /nfs/dbraw/zinc/93/34/73/1028933473.db2.gz GAJZRBNTAJPURM-HXUWFJFHSA-N 1 1 336.439 3.867 20 30 EHEDMO C=CCn1cc(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C(C)C)nn1 ZINC000424290022 1028933524 /nfs/dbraw/zinc/93/35/24/1028933524.db2.gz ARGYQDNHJNYUCT-INIZCTEOSA-N 1 1 338.377 3.970 20 30 EHEDMO C[C@H]1COCCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000611272470 1029043730 /nfs/dbraw/zinc/04/37/30/1029043730.db2.gz VSPSLBCUADFBLO-KRWDZBQOSA-N 1 1 336.435 3.748 20 30 EHEDMO CC[N@@H+](CCc1ccccc1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000532921345 1029074275 /nfs/dbraw/zinc/07/42/75/1029074275.db2.gz ZICPNHRPTPJPNA-UHFFFAOYSA-N 1 1 341.842 3.715 20 30 EHEDMO C=CC(C)(C)CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000454600222 1029090797 /nfs/dbraw/zinc/09/07/97/1029090797.db2.gz PPHLMRNRLPEJSP-AEFFLSMTSA-N 1 1 329.488 3.551 20 30 EHEDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cccc(SCC#N)c1 ZINC000079799319 1029177370 /nfs/dbraw/zinc/17/73/70/1029177370.db2.gz ZAFLYNLIOJXTPZ-UHFFFAOYSA-N 1 1 345.512 3.639 20 30 EHEDMO N#Cc1ccccc1OCC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533021841 1029207196 /nfs/dbraw/zinc/20/71/96/1029207196.db2.gz HAJXGVBSBHZGKZ-UHFFFAOYSA-N 1 1 344.418 3.603 20 30 EHEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445895406 1029215587 /nfs/dbraw/zinc/21/55/87/1029215587.db2.gz GDTCCQHBUFQUCJ-UKRRQHHQSA-N 1 1 340.261 3.532 20 30 EHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)CCc1ccccc1 ZINC000544408562 1029400140 /nfs/dbraw/zinc/40/01/40/1029400140.db2.gz LNCFZCBKLSIJLG-HXUWFJFHSA-N 1 1 325.452 3.677 20 30 EHEDMO Cc1c(C#N)cccc1NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000184003059 1029478222 /nfs/dbraw/zinc/47/82/22/1029478222.db2.gz GAKUILGOAUBHDT-YWZLYKJASA-N 1 1 348.450 3.509 20 30 EHEDMO C[C@@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)c1ccc2ccccc2c1 ZINC000272616344 1029536592 /nfs/dbraw/zinc/53/65/92/1029536592.db2.gz TYDAQJUHLOGABH-MRXNPFEDSA-N 1 1 335.451 3.643 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2c(C#N)nnc3ccccc32)C1 ZINC000524846482 1029559340 /nfs/dbraw/zinc/55/93/40/1029559340.db2.gz AFUFANCBCHBMSP-NVXWUHKLSA-N 1 1 343.434 3.749 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000524907031 1029602296 /nfs/dbraw/zinc/60/22/96/1029602296.db2.gz OFFGAAZVVOMUTM-CYBMUJFWSA-N 1 1 346.377 3.917 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000524907031 1029602302 /nfs/dbraw/zinc/60/23/02/1029602302.db2.gz OFFGAAZVVOMUTM-CYBMUJFWSA-N 1 1 346.377 3.917 20 30 EHEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@H]2CCCC[C@H]12 ZINC000583301164 1029607459 /nfs/dbraw/zinc/60/74/59/1029607459.db2.gz BFTMHNCVLSIXNT-LZQZEXGQSA-N 1 1 325.456 3.787 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2CC[C@@](C)(c3ccccc3)C2)c1C#N ZINC000533758668 1029801073 /nfs/dbraw/zinc/80/10/73/1029801073.db2.gz QPHRBBRMAFUTQE-OAQYLSRUSA-N 1 1 334.419 3.508 20 30 EHEDMO C=CCC[C@@H](NC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000272885080 1029822646 /nfs/dbraw/zinc/82/26/46/1029822646.db2.gz YNNWVPDTYBKDCM-QFBILLFUSA-N 1 1 327.472 3.644 20 30 EHEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000525461731 1029858444 /nfs/dbraw/zinc/85/84/44/1029858444.db2.gz HMLZOFQEVFSUGM-GFCCVEGCSA-N 1 1 346.837 3.677 20 30 EHEDMO C[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000525640732 1029993364 /nfs/dbraw/zinc/99/33/64/1029993364.db2.gz XCJPEXMDLGCRNF-YWZLYKJASA-N 1 1 340.398 3.538 20 30 EHEDMO C[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000525640732 1029993370 /nfs/dbraw/zinc/99/33/70/1029993370.db2.gz XCJPEXMDLGCRNF-YWZLYKJASA-N 1 1 340.398 3.538 20 30 EHEDMO CO[C@H]1C[C@@H](C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)[N@H+](C)C1 ZINC000329197012 1030002362 /nfs/dbraw/zinc/00/23/62/1030002362.db2.gz VAXSELFEDRZXOW-JSGCOSHPSA-N 1 1 347.484 3.901 20 30 EHEDMO CO[C@H]1C[C@@H](C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)[N@@H+](C)C1 ZINC000329197012 1030002368 /nfs/dbraw/zinc/00/23/68/1030002368.db2.gz VAXSELFEDRZXOW-JSGCOSHPSA-N 1 1 347.484 3.901 20 30 EHEDMO C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000121725334 1030134896 /nfs/dbraw/zinc/13/48/96/1030134896.db2.gz QAUMZTZUFHXARS-SFHVURJKSA-N 1 1 333.479 3.916 20 30 EHEDMO CN(C(=O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1)C1(C#N)CCCCC1 ZINC000052455436 1030228018 /nfs/dbraw/zinc/22/80/18/1030228018.db2.gz NRQXPDQCCDPOOU-SFHVURJKSA-N 1 1 343.446 3.647 20 30 EHEDMO CN(C(=O)C[N@H+]1CCC[C@H]1c1cccc(F)c1)C1(C#N)CCCCC1 ZINC000052455436 1030228033 /nfs/dbraw/zinc/22/80/33/1030228033.db2.gz NRQXPDQCCDPOOU-SFHVURJKSA-N 1 1 343.446 3.647 20 30 EHEDMO C=CC[N@@H+](C)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000121623329 1030321295 /nfs/dbraw/zinc/32/12/95/1030321295.db2.gz RLVUNCRAZHSLEX-IBGZPJMESA-N 1 1 347.462 3.534 20 30 EHEDMO C=CC[N@H+](C)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000121623329 1030321303 /nfs/dbraw/zinc/32/13/03/1030321303.db2.gz RLVUNCRAZHSLEX-IBGZPJMESA-N 1 1 347.462 3.534 20 30 EHEDMO C=C(C)Cn1c(CCCC)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000453452778 1030326382 /nfs/dbraw/zinc/32/63/82/1030326382.db2.gz NEMJREOVQXOKFO-KRWDZBQOSA-N 1 1 345.535 3.507 20 30 EHEDMO CC[N@@H+](Cc1ccc(OCc2ccncc2)c(OC)c1)C[C@@H](C)C#N ZINC000091982637 1030348639 /nfs/dbraw/zinc/34/86/39/1030348639.db2.gz BKTASSQZVATPKA-INIZCTEOSA-N 1 1 339.439 3.651 20 30 EHEDMO CC[N@H+](Cc1ccc(OCc2ccncc2)c(OC)c1)C[C@@H](C)C#N ZINC000091982637 1030348656 /nfs/dbraw/zinc/34/86/56/1030348656.db2.gz BKTASSQZVATPKA-INIZCTEOSA-N 1 1 339.439 3.651 20 30 EHEDMO CC[N@@H+](Cc1ccc(OC)c(OCc2cccnc2)c1)C[C@H](C)C#N ZINC000091983710 1030349391 /nfs/dbraw/zinc/34/93/91/1030349391.db2.gz KYQVNLGIIXCCEQ-MRXNPFEDSA-N 1 1 339.439 3.651 20 30 EHEDMO CC[N@H+](Cc1ccc(OC)c(OCc2cccnc2)c1)C[C@H](C)C#N ZINC000091983710 1030349412 /nfs/dbraw/zinc/34/94/12/1030349412.db2.gz KYQVNLGIIXCCEQ-MRXNPFEDSA-N 1 1 339.439 3.651 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000526941858 1030512956 /nfs/dbraw/zinc/51/29/56/1030512956.db2.gz MMBOSTMITSIWRT-FUKWUPMWSA-N 1 1 331.463 3.950 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000526941858 1030512972 /nfs/dbraw/zinc/51/29/72/1030512972.db2.gz MMBOSTMITSIWRT-FUKWUPMWSA-N 1 1 331.463 3.950 20 30 EHEDMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)n1 ZINC000249130252 1030527237 /nfs/dbraw/zinc/52/72/37/1030527237.db2.gz DPQILNSEDOTTCZ-APWZRJJASA-N 1 1 348.450 3.673 20 30 EHEDMO CCCC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)[C@@H](C)c1ccccc1 ZINC000532352105 1030576843 /nfs/dbraw/zinc/57/68/43/1030576843.db2.gz DQBGNZSHIDETRI-ROUUACIJSA-N 1 1 329.488 3.858 20 30 EHEDMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000093478391 1030615944 /nfs/dbraw/zinc/61/59/44/1030615944.db2.gz DJEXYTXQLVJOAT-LAUBAEHRSA-N 1 1 336.435 3.859 20 30 EHEDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000093478391 1030615952 /nfs/dbraw/zinc/61/59/52/1030615952.db2.gz DJEXYTXQLVJOAT-LAUBAEHRSA-N 1 1 336.435 3.859 20 30 EHEDMO CCCc1c(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000615189717 1030641939 /nfs/dbraw/zinc/64/19/39/1030641939.db2.gz ZDDGNIWSQJISHR-DOTOQJQBSA-N 1 1 337.471 3.591 20 30 EHEDMO CCN1CC[C@@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)[C@H](C)C1 ZINC000093638957 1030649438 /nfs/dbraw/zinc/64/94/38/1030649438.db2.gz AYIDSWXLPMIHFO-YLJYHZDGSA-N 1 1 329.488 3.531 20 30 EHEDMO CCN1CC[C@@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)[C@H](C)C1 ZINC000093638957 1030649451 /nfs/dbraw/zinc/64/94/51/1030649451.db2.gz AYIDSWXLPMIHFO-YLJYHZDGSA-N 1 1 329.488 3.531 20 30 EHEDMO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(OCCCC#N)c2)[C@H](C)C1 ZINC000093638957 1030649460 /nfs/dbraw/zinc/64/94/60/1030649460.db2.gz AYIDSWXLPMIHFO-YLJYHZDGSA-N 1 1 329.488 3.531 20 30 EHEDMO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(OCCCC#N)c2)[C@H](C)C1 ZINC000093638957 1030649478 /nfs/dbraw/zinc/64/94/78/1030649478.db2.gz AYIDSWXLPMIHFO-YLJYHZDGSA-N 1 1 329.488 3.531 20 30 EHEDMO C[C@@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc(C#N)cc1F ZINC000527487565 1030943248 /nfs/dbraw/zinc/94/32/48/1030943248.db2.gz CDUVPWRWVLRTKT-AUUYWEPGSA-N 1 1 343.446 3.672 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)ccc1OC ZINC000448352619 1031001554 /nfs/dbraw/zinc/00/15/54/1031001554.db2.gz DTGOVKRNEICGHP-SJLPKXTDSA-N 1 1 333.472 3.776 20 30 EHEDMO COc1ccccc1C[N@H+](CC#Cc1ccccc1)C[C@H]1CCCO1 ZINC000483533588 1031214891 /nfs/dbraw/zinc/21/48/91/1031214891.db2.gz RTIZGVCPZTWPNU-OAQYLSRUSA-N 1 1 335.447 3.728 20 30 EHEDMO COc1ccccc1C[N@@H+](CC#Cc1ccccc1)C[C@H]1CCCO1 ZINC000483533588 1031214905 /nfs/dbraw/zinc/21/49/05/1031214905.db2.gz RTIZGVCPZTWPNU-OAQYLSRUSA-N 1 1 335.447 3.728 20 30 EHEDMO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)Cc2ccc(CC#N)cc2)cn1 ZINC000343536275 1031287970 /nfs/dbraw/zinc/28/79/70/1031287970.db2.gz RSIJDILSNFREQP-OAQYLSRUSA-N 1 1 348.425 3.847 20 30 EHEDMO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)Cc2ccc(CC#N)cc2)cn1 ZINC000343536275 1031287985 /nfs/dbraw/zinc/28/79/85/1031287985.db2.gz RSIJDILSNFREQP-OAQYLSRUSA-N 1 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EHEDMO C=CC[N@H+](Cc1nnnn1-c1c(C)cccc1C)CC1CCCCC1 ZINC000484692895 1031888047 /nfs/dbraw/zinc/88/80/47/1031888047.db2.gz ZKVQSZSGHCIKPI-UHFFFAOYSA-N 1 1 339.487 3.847 20 30 EHEDMO C=CC[N@H+](CC(=O)Nc1cc(OC)cc(OC)c1)CC1CCCCC1 ZINC000484695927 1031890815 /nfs/dbraw/zinc/89/08/15/1031890815.db2.gz WLGNZHPVHPJXQP-UHFFFAOYSA-N 1 1 346.471 3.711 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000536646051 1032051086 /nfs/dbraw/zinc/05/10/86/1032051086.db2.gz SMTFBWIZSAWOBQ-INIZCTEOSA-N 1 1 329.362 3.795 20 30 EHEDMO Cc1ccc(C[N@H+](Cc2ccco2)C[C@@H](O)CC(C)(C)C#N)s1 ZINC000598587079 1033315365 /nfs/dbraw/zinc/31/53/65/1033315365.db2.gz NJKUVFYQWCUDMW-HNNXBMFYSA-N 1 1 332.469 3.953 20 30 EHEDMO C#CCCCCCC[NH2+][C@@H](c1nccn1C)c1ccc(F)cc1F ZINC000898107751 1033331637 /nfs/dbraw/zinc/33/16/37/1033331637.db2.gz XCRWOUGNOPLMEW-GOSISDBHSA-N 1 1 331.410 3.961 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000449861053 1033359104 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346.434 3.597 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2c(C#N)nnc3ccccc32)C1 ZINC000265874990 1129590074 /nfs/dbraw/zinc/59/00/74/1129590074.db2.gz WQXBVCSVHIVYHZ-IAGOWNOFSA-N 1 1 349.482 3.592 20 30 EHEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCOC[C@@H]3C3CC3)c2)c1 ZINC000093645708 1129597517 /nfs/dbraw/zinc/59/75/17/1129597517.db2.gz FMCDBSPSKJYFAG-JOCHJYFZSA-N 1 1 348.446 3.748 20 30 EHEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCOC[C@@H]3C3CC3)c2)c1 ZINC000093645708 1129597520 /nfs/dbraw/zinc/59/75/20/1129597520.db2.gz FMCDBSPSKJYFAG-JOCHJYFZSA-N 1 1 348.446 3.748 20 30 EHEDMO N#Cc1cc(F)c(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c(F)c1 ZINC000390661972 1129628262 /nfs/dbraw/zinc/62/82/62/1129628262.db2.gz OFENKQYEQWFKOG-INIZCTEOSA-N 1 1 327.378 3.913 20 30 EHEDMO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)o1 ZINC000509108238 1129755139 /nfs/dbraw/zinc/75/51/39/1129755139.db2.gz JBWBIHKRFRNJDC-VQIMIIECSA-N 1 1 335.451 3.987 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2cc(F)cc(F)c2)CC1 ZINC000509123705 1129782335 /nfs/dbraw/zinc/78/23/35/1129782335.db2.gz LLODRJOYXKYOHC-UHFFFAOYSA-N 1 1 327.378 3.549 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2cc(F)cc(F)c2)CC1 ZINC000509123705 1129782336 /nfs/dbraw/zinc/78/23/36/1129782336.db2.gz LLODRJOYXKYOHC-UHFFFAOYSA-N 1 1 327.378 3.549 20 30 EHEDMO COCc1ccc([C@H]2CCC[N@H+]2CCOc2ccccc2C#N)o1 ZINC000131433573 1129796198 /nfs/dbraw/zinc/79/61/98/1129796198.db2.gz PBBVWTVOHHFDMB-QGZVFWFLSA-N 1 1 326.396 3.514 20 30 EHEDMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C#N)C(C)(C)C ZINC001128778629 1130160234 /nfs/dbraw/zinc/16/02/34/1130160234.db2.gz QHRUYVWWAVSOFZ-GUDVDZBRSA-N 1 1 341.499 3.589 20 30 EHEDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H]1C ZINC000172859222 1130164604 /nfs/dbraw/zinc/16/46/04/1130164604.db2.gz UOWFXYKGKPYFSP-CHWSQXEVSA-N 1 1 331.485 3.557 20 30 EHEDMO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000429244009 1130297591 /nfs/dbraw/zinc/29/75/91/1130297591.db2.gz DCHWOQWEOVZMFU-CQSZACIVSA-N 1 1 327.378 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Cc1cccc(C2(O)CC[NH+](Cc3ccc(C#N)cc3F)CC2)c1C ZINC000741806664 1131653185 /nfs/dbraw/zinc/65/31/85/1131653185.db2.gz VULQXHMOAOMJGX-UHFFFAOYSA-N 1 1 338.426 3.798 20 30 EHEDMO CC(C)COCC[C@H](C)[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001172477552 1131737358 /nfs/dbraw/zinc/73/73/58/1131737358.db2.gz AYSJNHUCXPMOTA-PXNSSMCTSA-N 1 1 330.472 3.853 20 30 EHEDMO Cc1nc([C@H]2C[C@@H]3CC[N@H+]([C@H](C)CCCC#N)C[C@H]3O2)sc1C ZINC001172494062 1131757346 /nfs/dbraw/zinc/75/73/46/1131757346.db2.gz FKZVYNWYHUOSHU-VJUNAUMWSA-N 1 1 333.501 3.994 20 30 EHEDMO C[C@H](CCCC#N)[N@H+]1CCc2ncnc(-c3cccc(F)c3)c2CC1 ZINC001172495836 1131758297 /nfs/dbraw/zinc/75/82/97/1131758297.db2.gz IGFJCNVBTKKGKI-OAHLLOKOSA-N 1 1 338.430 3.766 20 30 EHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC001172496479 1131759182 /nfs/dbraw/zinc/75/91/82/1131759182.db2.gz MUNQHLUYJGUGLJ-APWZRJJASA-N 1 1 335.492 3.934 20 30 EHEDMO Cc1ccc(N2C[C@]3(CC[N@H+]([C@H](C)CCCC#N)C3)CC2=O)s1 ZINC001172498009 1131760586 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3.880 20 30 EHEDMO C=CCOC1CCC([N@H+]2CCn3c(-c4ccccc4)cnc3C2)CC1 ZINC001173322849 1132045187 /nfs/dbraw/zinc/04/51/87/1132045187.db2.gz NGDUGLRIRXXXRT-UHFFFAOYSA-N 1 1 337.467 3.880 20 30 EHEDMO C=CCOC1CCC([N@H+](Cc2ccccc2)CC(OC)OC)CC1 ZINC001173321530 1132045284 /nfs/dbraw/zinc/04/52/84/1132045284.db2.gz LHTOOHDSNIYLEU-UHFFFAOYSA-N 1 1 333.472 3.621 20 30 EHEDMO C=CCOC1CCC([N@H+]2CCC[C@H](c3nc(C(C)C)no3)C2)CC1 ZINC001173323696 1132046563 /nfs/dbraw/zinc/04/65/63/1132046563.db2.gz FHTFSAJIUOYFKC-GTPINHCMSA-N 1 1 333.476 3.886 20 30 EHEDMO C=CCOC1CCC([N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001173326663 1132047643 /nfs/dbraw/zinc/04/76/43/1132047643.db2.gz MISVPNNEWIICFM-LADRWXRNSA-N 1 1 337.410 3.852 20 30 EHEDMO C=CCOC1CCC([N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001173326663 1132047650 /nfs/dbraw/zinc/04/76/50/1132047650.db2.gz MISVPNNEWIICFM-LADRWXRNSA-N 1 1 337.410 3.852 20 30 EHEDMO C=CCOC1CCC([N@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC001173327126 1132048014 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330.447 3.999 20 30 EHEDMO CCCCCCCCNC(=O)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC001191051455 1134782417 /nfs/dbraw/zinc/78/24/17/1134782417.db2.gz PJWCQQKRYCAGAV-UHFFFAOYSA-N 1 1 346.519 3.659 20 30 EHEDMO CCCCCCCCNC(=O)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC001191051455 1134782432 /nfs/dbraw/zinc/78/24/32/1134782432.db2.gz PJWCQQKRYCAGAV-UHFFFAOYSA-N 1 1 346.519 3.659 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000775431120 1134784477 /nfs/dbraw/zinc/78/44/77/1134784477.db2.gz ULVUFRZGBKQPHH-UHFFFAOYSA-N 1 1 337.810 3.893 20 30 EHEDMO CCCCCCCNC(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC001191098328 1134792263 /nfs/dbraw/zinc/79/22/63/1134792263.db2.gz URLIRJVVTVPIRA-UHFFFAOYSA-N 1 1 329.488 3.627 20 30 EHEDMO CCCCCCCNC(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001191098328 1134792268 /nfs/dbraw/zinc/79/22/68/1134792268.db2.gz URLIRJVVTVPIRA-UHFFFAOYSA-N 1 1 329.488 3.627 20 30 EHEDMO CC[C@@H](C)C[N@@H+](CC)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC001191375494 1134859322 /nfs/dbraw/zinc/85/93/22/1134859322.db2.gz ULQBGWCXULBFFM-MRXNPFEDSA-N 1 1 329.488 3.918 20 30 EHEDMO C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001191444092 1134867839 /nfs/dbraw/zinc/86/78/39/1134867839.db2.gz HVMYOLWROMHGEE-YADHBBJMSA-N 1 1 334.463 3.936 20 30 EHEDMO C#CCOc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc1 ZINC000794230874 1135030204 /nfs/dbraw/zinc/03/02/04/1135030204.db2.gz BXRYJBFIOIGDAK-UHFFFAOYSA-N 1 1 342.826 3.666 20 30 EHEDMO CC(C)[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccc(C#N)o1 ZINC001192537858 1135032655 /nfs/dbraw/zinc/03/26/55/1135032655.db2.gz XOLWEHZPYIDOOC-UHFFFAOYSA-N 1 1 334.423 3.807 20 30 EHEDMO CC(C)[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccc(C#N)o1 ZINC001192537858 1135032663 /nfs/dbraw/zinc/03/26/63/1135032663.db2.gz XOLWEHZPYIDOOC-UHFFFAOYSA-N 1 1 334.423 3.807 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccnc1SCCCCC ZINC001192592497 1135035701 /nfs/dbraw/zinc/03/57/01/1135035701.db2.gz BDGKJABWBRSQKG-INIZCTEOSA-N 1 1 347.528 3.744 20 30 EHEDMO C#C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1F ZINC000804416186 1135070613 /nfs/dbraw/zinc/07/06/13/1135070613.db2.gz LMAAWFDGLNOKJE-ROUUACIJSA-N 1 1 344.817 3.573 20 30 EHEDMO C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000804457683 1135074942 /nfs/dbraw/zinc/07/49/42/1135074942.db2.gz BUONLDHJBBGYPK-TZIWHRDSSA-N 1 1 338.495 3.534 20 30 EHEDMO CCCCCCCC[N@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC001193280917 1135122075 /nfs/dbraw/zinc/12/20/75/1135122075.db2.gz APNUBPVPUMJKTI-KRWDZBQOSA-N 1 1 329.488 3.880 20 30 EHEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCCC2(CCCCC2)CC1 ZINC001193438447 1135135234 /nfs/dbraw/zinc/13/52/34/1135135234.db2.gz UWSFGLUAWLKAJF-LJQANCHMSA-N 1 1 342.483 3.734 20 30 EHEDMO CC1(C)C[N@@H+](CCOc2ccccc2C#N)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC001193817879 1135188516 /nfs/dbraw/zinc/18/85/16/1135188516.db2.gz FGYMIXOVQJQADT-MMOPVJDHSA-N 1 1 340.467 3.607 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cccc(Cl)c1)CC2 ZINC001203798929 1135299751 /nfs/dbraw/zinc/29/97/51/1135299751.db2.gz NTMCZWRKTVZXEX-IBGZPJMESA-N 1 1 332.875 3.873 20 30 EHEDMO CCCCCCCCOC(=O)N[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC001194753474 1135309788 /nfs/dbraw/zinc/30/97/88/1135309788.db2.gz MZEUVAJIMSJWCQ-SFHVURJKSA-N 1 1 333.476 3.743 20 30 EHEDMO CCCCCCCCOC(=O)N[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC001194753474 1135309791 /nfs/dbraw/zinc/30/97/91/1135309791.db2.gz MZEUVAJIMSJWCQ-SFHVURJKSA-N 1 1 333.476 3.743 20 30 EHEDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(Br)cc1C#N ZINC000805743918 1135324200 /nfs/dbraw/zinc/32/42/00/1135324200.db2.gz NJMIOPSOVPAKPT-UHFFFAOYSA-N 1 1 344.256 3.780 20 30 EHEDMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000805803904 1135334451 /nfs/dbraw/zinc/33/44/51/1135334451.db2.gz JRQGTLPXUXOKRT-YOEHRIQHSA-N 1 1 348.874 3.679 20 30 EHEDMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000805803904 1135334456 /nfs/dbraw/zinc/33/44/56/1135334456.db2.gz JRQGTLPXUXOKRT-YOEHRIQHSA-N 1 1 348.874 3.679 20 30 EHEDMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)OCC(C)(C)C#N ZINC000805913950 1135348889 /nfs/dbraw/zinc/34/88/89/1135348889.db2.gz VUFNWJVJIUSVLU-INIZCTEOSA-N 1 1 344.455 3.646 20 30 EHEDMO C[C@H]1CC(N=Nc2nccnc2C2CCC2)C[N@H+]1Cc1ccccc1 ZINC000807994471 1135601332 /nfs/dbraw/zinc/60/13/32/1135601332.db2.gz SVYNDBWIUWPGNF-HNNXBMFYSA-N 1 1 335.455 3.806 20 30 EHEDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001196771000 1135613712 /nfs/dbraw/zinc/61/37/12/1135613712.db2.gz DHNNLOHUYAPFIQ-YOEHRIQHSA-N 1 1 348.874 3.679 20 30 EHEDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001196771000 1135613717 /nfs/dbraw/zinc/61/37/17/1135613717.db2.gz DHNNLOHUYAPFIQ-YOEHRIQHSA-N 1 1 348.874 3.679 20 30 EHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000794429833 1135716625 /nfs/dbraw/zinc/71/66/25/1135716625.db2.gz CQFZALQAVWERBS-FXAWDEMLSA-N 1 1 342.389 3.925 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2C)cc1C ZINC000747529936 1135747163 /nfs/dbraw/zinc/74/71/63/1135747163.db2.gz GBHBQBYRBMCZMQ-WMZOPIPTSA-N 1 1 327.472 3.671 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2COc2ccc(F)cc2)c1F ZINC001198173569 1135781946 /nfs/dbraw/zinc/78/19/46/1135781946.db2.gz FUVULAHCTFKEHN-KRWDZBQOSA-N 1 1 328.362 3.880 20 30 EHEDMO C#Cc1ccc(C[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000809604694 1135856580 /nfs/dbraw/zinc/85/65/80/1135856580.db2.gz XUCZPNRUAGSYEY-KDURUIRLSA-N 1 1 348.490 3.567 20 30 EHEDMO Cc1cc(C)c2c(c1)CC[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)C2 ZINC001198851561 1135860671 /nfs/dbraw/zinc/86/06/71/1135860671.db2.gz JMOZWBAFPYDOCD-UHFFFAOYSA-N 1 1 344.418 3.783 20 30 EHEDMO Cc1cc(C)c2c(c1)CC[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)C2 ZINC001198851561 1135860674 /nfs/dbraw/zinc/86/06/74/1135860674.db2.gz JMOZWBAFPYDOCD-UHFFFAOYSA-N 1 1 344.418 3.783 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc2c(c1)CCC(=O)N2C ZINC000775907058 1135862996 /nfs/dbraw/zinc/86/29/96/1135862996.db2.gz DSYAOMYDKTXHLT-UHFFFAOYSA-N 1 1 334.463 3.826 20 30 EHEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)o1 ZINC000809699119 1135869077 /nfs/dbraw/zinc/86/90/77/1135869077.db2.gz NCIQLVDWMUOIAQ-NRFANRHFSA-N 1 1 332.403 3.887 20 30 EHEDMO C#C[C@H]([NH2+][C@@H](C)Cc1cccc(OC)n1)c1ccc(Cl)cc1F ZINC000809699531 1135869321 /nfs/dbraw/zinc/86/93/21/1135869321.db2.gz SPDNKXPKWUPNBJ-SJCJKPOMSA-N 1 1 332.806 3.778 20 30 EHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(OC)ccc1O ZINC000809704491 1135874763 /nfs/dbraw/zinc/87/47/63/1135874763.db2.gz DRORFYZRKBCWLV-UHFFFAOYSA-N 1 1 329.444 3.757 20 30 EHEDMO N#Cc1cccc(OCC[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC001170594208 1135907345 /nfs/dbraw/zinc/90/73/45/1135907345.db2.gz RRHCZCRAVBJACU-LJQANCHMSA-N 1 1 342.826 3.744 20 30 EHEDMO CCN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000810437854 1135964645 /nfs/dbraw/zinc/96/46/45/1135964645.db2.gz JQRDDWGZEAXHBC-FOIQADDNSA-N 1 1 345.462 3.680 20 30 EHEDMO CCCNc1ccc(C#N)cc1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810436015 1135964758 /nfs/dbraw/zinc/96/47/58/1135964758.db2.gz JIOTWENVGMVSKJ-IBGZPJMESA-N 1 1 346.450 3.531 20 30 EHEDMO C#Cc1ccccc1CC(=O)O[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000810662530 1135995541 /nfs/dbraw/zinc/99/55/41/1135995541.db2.gz DSZHCICZZWZGDM-PGRDOPGGSA-N 1 1 347.458 3.664 20 30 EHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)C=[NH+]n1cnnc1-c1ccccc1 ZINC000747630701 1136007293 /nfs/dbraw/zinc/00/72/93/1136007293.db2.gz YIIOOLNADIOMLX-UHFFFAOYSA-N 1 1 347.466 3.937 20 30 EHEDMO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1C[C@@H](CC)CCCC ZINC001201560593 1136040470 /nfs/dbraw/zinc/04/04/70/1136040470.db2.gz UPXFWNGKDCCECJ-WMZOPIPTSA-N 1 1 334.508 3.616 20 30 EHEDMO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1C[C@@H](CC)CCCC ZINC001201560593 1136040471 /nfs/dbraw/zinc/04/04/71/1136040471.db2.gz UPXFWNGKDCCECJ-WMZOPIPTSA-N 1 1 334.508 3.616 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001201762929 1136061381 /nfs/dbraw/zinc/06/13/81/1136061381.db2.gz ZXZDEQIGPNDWHB-IRXDYDNUSA-N 1 1 340.508 3.667 20 30 EHEDMO CCCCCCCCN1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001201813575 1136064664 /nfs/dbraw/zinc/06/46/64/1136064664.db2.gz GMDSATZVOHTMBR-SFTDATJTSA-N 1 1 345.531 3.717 20 30 EHEDMO CCCCCCCC[N@@H+]1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001201813575 1136064667 /nfs/dbraw/zinc/06/46/67/1136064667.db2.gz GMDSATZVOHTMBR-SFTDATJTSA-N 1 1 345.531 3.717 20 30 EHEDMO CCCCCCCC[N@H+]1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001201813575 1136064670 /nfs/dbraw/zinc/06/46/70/1136064670.db2.gz GMDSATZVOHTMBR-SFTDATJTSA-N 1 1 345.531 3.717 20 30 EHEDMO CCCCCCC[N@@H+]1C[C@H]2c3ccccc3[C@H](NC(=O)N(C)C)[C@H]2C1 ZINC001201776833 1136065592 /nfs/dbraw/zinc/06/55/92/1136065592.db2.gz NCRABXRWONCREK-UFYCRDLUSA-N 1 1 343.515 3.998 20 30 EHEDMO CN(CCC#N)c1ccc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000850381092 1136245793 /nfs/dbraw/zinc/24/57/93/1136245793.db2.gz BGHVCPLDKBOOBA-LJQANCHMSA-N 1 1 340.515 3.533 20 30 EHEDMO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)cc1 ZINC000850381092 1136245795 /nfs/dbraw/zinc/24/57/95/1136245795.db2.gz BGHVCPLDKBOOBA-LJQANCHMSA-N 1 1 340.515 3.533 20 30 EHEDMO Cc1cc(C[N@H+](C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)ccc1C#N ZINC000812833648 1136256635 /nfs/dbraw/zinc/25/66/35/1136256635.db2.gz SBTZOTSFDMBGIV-GOSISDBHSA-N 1 1 343.471 3.602 20 30 EHEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812847642 1136259651 /nfs/dbraw/zinc/25/96/51/1136259651.db2.gz CVKFCELDBWGWQW-HKUYNNGSSA-N 1 1 330.472 3.531 20 30 EHEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(F)c1 ZINC000109761707 1136339122 /nfs/dbraw/zinc/33/91/22/1136339122.db2.gz MNBMRBAKJYIDBR-SFHVURJKSA-N 1 1 340.398 3.584 20 30 EHEDMO C=CC[NH+](CC=C)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@H]1O ZINC000851726794 1136401645 /nfs/dbraw/zinc/40/16/45/1136401645.db2.gz WMIVSNNUDUJRMP-ZWKOTPCHSA-N 1 1 344.455 3.518 20 30 EHEDMO C=CC[NH+](CC=C)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@@H]1O ZINC000851726791 1136401820 /nfs/dbraw/zinc/40/18/20/1136401820.db2.gz WMIVSNNUDUJRMP-MSOLQXFVSA-N 1 1 344.455 3.518 20 30 EHEDMO C[N@@H+](CCSc1ccc(F)cc1F)C[C@H](O)c1cccc(C#N)c1 ZINC000852211268 1136440743 /nfs/dbraw/zinc/44/07/43/1136440743.db2.gz QVKAUQLHJPSFBZ-KRWDZBQOSA-N 1 1 348.418 3.594 20 30 EHEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000852328726 1136449462 /nfs/dbraw/zinc/44/94/62/1136449462.db2.gz LLOSXDCBUWKYJD-OAQYLSRUSA-N 1 1 328.419 3.687 20 30 EHEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000852328726 1136449464 /nfs/dbraw/zinc/44/94/64/1136449464.db2.gz LLOSXDCBUWKYJD-OAQYLSRUSA-N 1 1 328.419 3.687 20 30 EHEDMO C[C@@H]1C(N=Nc2ccc(Cl)nn2)CCC[N@H+]1Cc1ccccc1 ZINC000814697839 1136493424 /nfs/dbraw/zinc/49/34/24/1136493424.db2.gz FJUJUHPZYNJPDN-CYBMUJFWSA-N 1 1 329.835 3.582 20 30 EHEDMO COc1ccc(N[NH+]=C(C)c2cc([N+](=O)[O-])ccc2N)cc1Cl ZINC000814902182 1136522153 /nfs/dbraw/zinc/52/21/53/1136522153.db2.gz HRGLARSHJYROJZ-UHFFFAOYSA-N 1 1 334.763 3.675 20 30 EHEDMO CC(N=Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(C[NH+](C)C)cc1 ZINC000814905069 1136523280 /nfs/dbraw/zinc/52/32/80/1136523280.db2.gz MSTPZMHZBWDORC-UHFFFAOYSA-N 1 1 330.363 3.632 20 30 EHEDMO N#Cc1ccc(COC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c(F)c1 ZINC000815444892 1136596619 /nfs/dbraw/zinc/59/66/19/1136596619.db2.gz MNVLHLAVCYMNOJ-SFHVURJKSA-N 1 1 330.403 3.538 20 30 EHEDMO O[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2C(F)(F)F)CC[C@@H]1F ZINC001138019682 1136651248 /nfs/dbraw/zinc/65/12/48/1136651248.db2.gz UHRLCPYPKCRHOA-RYUDHWBXSA-N 1 1 345.258 3.629 20 30 EHEDMO O[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2C(F)(F)F)CC[C@@H]1F ZINC001138019682 1136651251 /nfs/dbraw/zinc/65/12/51/1136651251.db2.gz UHRLCPYPKCRHOA-RYUDHWBXSA-N 1 1 345.258 3.629 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000776787673 1136665756 /nfs/dbraw/zinc/66/57/56/1136665756.db2.gz RGLZTTCZOXBQNX-SFHVURJKSA-N 1 1 343.471 3.698 20 30 EHEDMO Clc1ccc(C=NOCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000817377029 1136801454 /nfs/dbraw/zinc/80/14/54/1136801454.db2.gz HNXQCDSPPRLJLZ-UHFFFAOYSA-N 1 1 344.842 3.723 20 30 EHEDMO CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1C[N@@H+](CC(C)(C)CCC#N)C2 ZINC000857069779 1136840800 /nfs/dbraw/zinc/84/08/00/1136840800.db2.gz SOSGGLKVNYCJSG-HNAYVOBHSA-N 1 1 335.492 3.696 20 30 EHEDMO C[N@H+]1CCC[C@H](c2cccc(C(=O)N3CCCC(C)(C)[C@H]3C#N)c2)C1 ZINC000857194448 1136852740 /nfs/dbraw/zinc/85/27/40/1136852740.db2.gz GZBKLHKREVLRCV-RBUKOAKNSA-N 1 1 339.483 3.650 20 30 EHEDMO C=C[C@@H]1C[C@]1(Nc1ccc2[nH+]c(C)n(C(C)C)c2c1)C(=O)OCC ZINC001170924153 1136921502 /nfs/dbraw/zinc/92/15/02/1136921502.db2.gz TYZJZYGFAQNVTG-AUUYWEPGSA-N 1 1 327.428 3.845 20 30 EHEDMO C#CCOc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858012907 1136930567 /nfs/dbraw/zinc/93/05/67/1136930567.db2.gz DAAAORZNYZBRBG-HXUWFJFHSA-N 1 1 348.446 3.624 20 30 EHEDMO Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(C#N)cc3Cl)C2)nc1 ZINC000858039535 1136934306 /nfs/dbraw/zinc/93/43/06/1136934306.db2.gz CWIQPJAAPRWOQW-INIZCTEOSA-N 1 1 327.815 3.568 20 30 EHEDMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)nc1 ZINC000858039535 1136934307 /nfs/dbraw/zinc/93/43/07/1136934307.db2.gz CWIQPJAAPRWOQW-INIZCTEOSA-N 1 1 327.815 3.568 20 30 EHEDMO C=C[C@H]1C[C@@]1(Nc1ccc([NH+]2CCCCC2)cc1C)C(=O)OCC ZINC001170926963 1136941942 /nfs/dbraw/zinc/94/19/42/1136941942.db2.gz GCXCGFKVGUSLNK-JXFKEZNVSA-N 1 1 328.456 3.905 20 30 EHEDMO N#CCCCCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000860425946 1137059593 /nfs/dbraw/zinc/05/95/93/1137059593.db2.gz QOEFZBJYJDJCGJ-SFHVURJKSA-N 1 1 326.440 3.526 20 30 EHEDMO COC(=O)c1ccc(C(=[NH2+])Nc2cc(F)c(F)c(C(F)F)c2)cc1 ZINC001170989346 1137063367 /nfs/dbraw/zinc/06/33/67/1137063367.db2.gz PSKKAANXEZLPEY-UHFFFAOYSA-N 1 1 340.276 3.726 20 30 EHEDMO C#C[C@H](C)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000860561202 1137066302 /nfs/dbraw/zinc/06/63/02/1137066302.db2.gz NTFAGTPYPMFPKS-CGTJXYLNSA-N 1 1 339.460 3.529 20 30 EHEDMO CC(C)(C)Sc1ccc(-c2noc([C@H]([NH3+])CCCC#N)n2)nc1 ZINC000822888322 1137077542 /nfs/dbraw/zinc/07/75/42/1137077542.db2.gz ZRSIETSIIWVKBE-GFCCVEGCSA-N 1 1 331.445 3.716 20 30 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348.446 3.697 20 30 EHEDMO C[C@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1cccc(C#N)c1O ZINC000866312829 1137344913 /nfs/dbraw/zinc/34/49/13/1137344913.db2.gz QUAOHIBEANGCHN-ZDUSSCGKSA-N 1 1 325.412 3.687 20 30 EHEDMO C[C@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1cccc(C#N)c1O ZINC000866338654 1137347395 /nfs/dbraw/zinc/34/73/95/1137347395.db2.gz VRCAXDIKLBDPLO-NSHDSACASA-N 1 1 328.799 3.703 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001171221906 1137348250 /nfs/dbraw/zinc/34/82/50/1137348250.db2.gz WXDRDVPZVPFGPS-RTBURBONSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCN(Cc2ccccc2)C[C@H]1C ZINC001171221906 1137348252 /nfs/dbraw/zinc/34/82/52/1137348252.db2.gz WXDRDVPZVPFGPS-RTBURBONSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC001171222042 1137348300 /nfs/dbraw/zinc/34/83/00/1137348300.db2.gz ZWJKFXCPTHOKET-YJBOKZPZSA-N 1 1 328.456 3.685 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@H]1C(=O)OC(C)(C)C 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CC[N@H+](Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C[C@H](C)C#N ZINC000736554711 598760970 /nfs/dbraw/zinc/76/09/70/598760970.db2.gz BGPGDOJCDTYABQ-OAHLLOKOSA-N 1 1 346.438 3.515 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C2(C#N)CCCCC2)cc1 ZINC000080428897 1032058232 /nfs/dbraw/zinc/05/82/32/1032058232.db2.gz LKQVCUKNTTWDLE-OAHLLOKOSA-N 1 1 336.439 3.832 20 30 EHEDMO CCN1CC[NH+](Cc2ccc(N[C@@H](C)c3cccc(C#N)c3)cc2)CC1 ZINC000183180145 1125466047 /nfs/dbraw/zinc/46/60/47/1125466047.db2.gz DXZKUIQXBFIOPU-SFHVURJKSA-N 1 1 348.494 3.869 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000339316939 1014209689 /nfs/dbraw/zinc/20/96/89/1014209689.db2.gz WGADHZSNMVSSED-IBGZPJMESA-N 1 1 341.499 3.883 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000339375910 1014294432 /nfs/dbraw/zinc/29/44/32/1014294432.db2.gz HWZHDEWUCOUUPF-INIZCTEOSA-N 1 1 337.398 3.515 20 30 EHEDMO CC1(C)C[N@H+](CCCC2(C#N)CCOCC2)C[C@](C)(C(F)(F)F)O1 ZINC000339455577 1014508655 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EHEDMO CC1(C)C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000472748420 1017699173 /nfs/dbraw/zinc/69/91/73/1017699173.db2.gz ISKUXQRJEFJXDN-UHFFFAOYSA-N 1 1 334.463 3.997 20 30 EHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000597859712 1032720890 /nfs/dbraw/zinc/72/08/90/1032720890.db2.gz GCIYJIJNORDMGG-CQSZACIVSA-N 1 1 341.480 3.684 20 30 EHEDMO N#CCCCC[N@@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000377484129 1017879456 /nfs/dbraw/zinc/87/94/56/1017879456.db2.gz IQMKFRBYRCNPSV-OAHLLOKOSA-N 1 1 328.334 3.652 20 30 EHEDMO N#CCCCC[N@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000377484129 1017879476 /nfs/dbraw/zinc/87/94/76/1017879476.db2.gz IQMKFRBYRCNPSV-OAHLLOKOSA-N 1 1 328.334 3.652 20 30 EHEDMO C[C@H](NC(=O)NCCC[N@@H+](C)C1CCCCC1)c1cccc(C#N)c1 ZINC000610347171 1018362170 /nfs/dbraw/zinc/36/21/70/1018362170.db2.gz RXSGVEZSASOBFF-INIZCTEOSA-N 1 1 342.487 3.573 20 30 EHEDMO N#Cc1ccc(Br)c(C[NH+]2CCC3(CC3(F)F)CC2)c1 ZINC000593072679 1032768632 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30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000425539939 1025675493 /nfs/dbraw/zinc/67/54/93/1025675493.db2.gz NDMYTIHJOTYEJP-YVWKXTFCSA-N 1 1 339.483 3.732 20 30 EHEDMO CCOc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425540472 1025690710 /nfs/dbraw/zinc/69/07/10/1025690710.db2.gz VJLQAOLIICXUTM-HNNXBMFYSA-N 1 1 337.423 3.588 20 30 EHEDMO CCOc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425540472 1025690720 /nfs/dbraw/zinc/69/07/20/1025690720.db2.gz VJLQAOLIICXUTM-HNNXBMFYSA-N 1 1 337.423 3.588 20 30 EHEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)[C@@H](c2ccccc2)CO1 ZINC000281921599 1025706249 /nfs/dbraw/zinc/70/62/49/1025706249.db2.gz HIEKEYOAPROUIC-IEBWSBKVSA-N 1 1 328.456 3.549 20 30 EHEDMO CC(C)[C@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1nnc2ccccn21 ZINC000329279523 1025713860 /nfs/dbraw/zinc/71/38/60/1025713860.db2.gz LQNZGQGSWGCLDS-YJBOKZPZSA-N 1 1 343.475 3.647 20 30 EHEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cn(C)nc1C1CCCCC1 ZINC000329363805 1025782903 /nfs/dbraw/zinc/78/29/03/1025782903.db2.gz JIMDHLRHKLONPA-INIZCTEOSA-N 1 1 332.492 3.647 20 30 EHEDMO CC[C@H](C)Oc1cc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)ccn1 ZINC000329383097 1025797451 /nfs/dbraw/zinc/79/74/51/1025797451.db2.gz QZLUDIWTLSVQSP-GOEBONIOSA-N 1 1 331.460 3.580 20 30 EHEDMO C[C@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)c1ccc(C#N)cc1F ZINC000611587534 1025863467 /nfs/dbraw/zinc/86/34/67/1025863467.db2.gz FDAFHFPJEUCRRL-YWZLYKJASA-N 1 1 334.398 3.986 20 30 EHEDMO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000329476896 1025899343 /nfs/dbraw/zinc/89/93/43/1025899343.db2.gz BSEFGHAYJFQOAH-UHFFFAOYSA-N 1 1 326.444 3.505 20 30 EHEDMO CC(C)[N@@H+](Cc1cc(Br)ccc1C#N)C1CCOCC1 ZINC001141907906 1025903404 /nfs/dbraw/zinc/90/34/04/1025903404.db2.gz SXRFPERVTPMGQD-UHFFFAOYSA-N 1 1 337.261 3.710 20 30 EHEDMO O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000451410158 1025940846 /nfs/dbraw/zinc/94/08/46/1025940846.db2.gz BNWNWJXPEDRALK-FGTMMUONSA-N 1 1 337.385 3.682 20 30 EHEDMO C=CC1CC[NH+](CC(=O)c2cc(C)n(-c3nccs3)c2C)CC1 ZINC000444240519 1025955119 /nfs/dbraw/zinc/95/51/19/1025955119.db2.gz DSXVCLDFKVFHOO-UHFFFAOYSA-N 1 1 329.469 3.631 20 30 EHEDMO [NH2+]=C(NC[C@H](c1ccccc1)N1CCCC1)Nc1cc(F)ccc1F ZINC000262298125 1026049674 /nfs/dbraw/zinc/04/96/74/1026049674.db2.gz PLNZCELZJBTJKE-GOSISDBHSA-N 1 1 344.409 3.529 20 30 EHEDMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2cnc3c(C#N)cnn3c2)o1 ZINC000516182904 1026073041 /nfs/dbraw/zinc/07/30/41/1026073041.db2.gz ZQWQOPGSANOKBQ-KSSFIOAISA-N 1 1 349.438 3.730 20 30 EHEDMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2cnc3c(C#N)cnn3c2)o1 ZINC000516182904 1026073058 /nfs/dbraw/zinc/07/30/58/1026073058.db2.gz ZQWQOPGSANOKBQ-KSSFIOAISA-N 1 1 349.438 3.730 20 30 EHEDMO Cc1oc(NC(=O)C[NH+]2CCC3(CCCCC3)CC2)c(C#N)c1C ZINC000338725472 1026183711 /nfs/dbraw/zinc/18/37/11/1026183711.db2.gz NJBBBQNEXUJVNF-UHFFFAOYSA-N 1 1 329.444 3.753 20 30 EHEDMO C=CC[C@H]1CC[N@H+]1Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000934469292 1026265689 /nfs/dbraw/zinc/26/56/89/1026265689.db2.gz AHSJFUWVLGYMJK-AWEZNQCLSA-N 1 1 330.453 3.978 20 30 EHEDMO C=CC[C@H]1CC[N@@H+]1Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000934469292 1026265699 /nfs/dbraw/zinc/26/56/99/1026265699.db2.gz AHSJFUWVLGYMJK-AWEZNQCLSA-N 1 1 330.453 3.978 20 30 EHEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000187762241 1026315198 /nfs/dbraw/zinc/31/51/98/1026315198.db2.gz GYYOYYQWVURWJX-KBXCAEBGSA-N 1 1 336.426 3.819 20 30 EHEDMO C[C@]1(CNC(=O)c2cccc(CC#N)c2)CCC[N@H+]1Cc1ccccc1 ZINC000187761005 1026315341 /nfs/dbraw/zinc/31/53/41/1026315341.db2.gz PMZHWXRLCPRNBY-JOCHJYFZSA-N 1 1 347.462 3.537 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000186248528 1026354687 /nfs/dbraw/zinc/35/46/87/1026354687.db2.gz XDDYQTMJYMKABX-WNSKOXEYSA-N 1 1 326.465 3.797 20 30 EHEDMO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000530971066 1026448140 /nfs/dbraw/zinc/44/81/40/1026448140.db2.gz BEVPAXPWPXJZHG-WOJBJXKFSA-N 1 1 334.419 3.745 20 30 EHEDMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000530971066 1026448148 /nfs/dbraw/zinc/44/81/48/1026448148.db2.gz BEVPAXPWPXJZHG-WOJBJXKFSA-N 1 1 334.419 3.745 20 30 EHEDMO Cc1ccc(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1C ZINC000452040290 1026452146 /nfs/dbraw/zinc/45/21/46/1026452146.db2.gz JLXIZILBGKMXFV-UHFFFAOYSA-N 1 1 332.407 3.857 20 30 EHEDMO Cc1ccc(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1C ZINC000452040290 1026452153 /nfs/dbraw/zinc/45/21/53/1026452153.db2.gz JLXIZILBGKMXFV-UHFFFAOYSA-N 1 1 332.407 3.857 20 30 EHEDMO CC(C)c1cccc2c1CC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000475401799 1026566101 /nfs/dbraw/zinc/56/61/01/1026566101.db2.gz YBTLBUYUBJCSBC-KKSFZXQISA-N 1 1 341.499 3.611 20 30 EHEDMO CC(C)c1cccc2c1CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000475401799 1026566110 /nfs/dbraw/zinc/56/61/10/1026566110.db2.gz YBTLBUYUBJCSBC-KKSFZXQISA-N 1 1 341.499 3.611 20 30 EHEDMO Cc1cc(C#N)cc(NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)n1 ZINC000339971252 1026771317 /nfs/dbraw/zinc/77/13/17/1026771317.db2.gz NCKHEMZFZNAPAC-KRWDZBQOSA-N 1 1 334.467 3.670 20 30 EHEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000277746827 1026776458 /nfs/dbraw/zinc/77/64/58/1026776458.db2.gz LEEWTAJSTBOUGG-UHFFFAOYSA-N 1 1 338.426 3.515 20 30 EHEDMO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(N(C)c3ccccc3)cc2)C1=O ZINC000684967184 1026875272 /nfs/dbraw/zinc/87/52/72/1026875272.db2.gz SXLPKTNUEJWVBP-NRFANRHFSA-N 1 1 349.478 3.673 20 30 EHEDMO CC[N@@H+](CCOc1ccccc1OC)Cc1ccc(C#N)cc1F ZINC000051855181 1026972491 /nfs/dbraw/zinc/97/24/91/1026972491.db2.gz QFAQWEIPCLUQES-UHFFFAOYSA-N 1 1 328.387 3.607 20 30 EHEDMO Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046519111 1026995528 /nfs/dbraw/zinc/99/55/28/1026995528.db2.gz MOWGNPAKBQDQEY-UHFFFAOYSA-N 1 1 327.815 3.591 20 30 EHEDMO Cc1cc(Cl)ccc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046519111 1026995536 /nfs/dbraw/zinc/99/55/36/1026995536.db2.gz MOWGNPAKBQDQEY-UHFFFAOYSA-N 1 1 327.815 3.591 20 30 EHEDMO N#CCOc1cccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000272957026 1027195323 /nfs/dbraw/zinc/19/53/23/1027195323.db2.gz ZNPJJXKRFZCBHY-VLCRHTCISA-N 1 1 347.462 3.911 20 30 EHEDMO Cc1ccc([C@@H](NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)C2CC2)cc1 ZINC000026329761 1027765762 /nfs/dbraw/zinc/76/57/62/1027765762.db2.gz NAZRDRVXHXKSDW-JOCHJYFZSA-N 1 1 347.462 3.566 20 30 EHEDMO Cc1ccc([C@@H](NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)C2CC2)cc1 ZINC000026329761 1027765776 /nfs/dbraw/zinc/76/57/76/1027765776.db2.gz NAZRDRVXHXKSDW-JOCHJYFZSA-N 1 1 347.462 3.566 20 30 EHEDMO CC(C)CC[N@H+](CCC#N)Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459346457 1027788551 /nfs/dbraw/zinc/78/85/51/1027788551.db2.gz WQJVZGKRYGONBG-SFHVURJKSA-N 1 1 329.488 3.673 20 30 EHEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459346457 1027788572 /nfs/dbraw/zinc/78/85/72/1027788572.db2.gz WQJVZGKRYGONBG-SFHVURJKSA-N 1 1 329.488 3.673 20 30 EHEDMO C[C@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001167621565 1027837687 /nfs/dbraw/zinc/83/76/87/1027837687.db2.gz SVWFLFSODNSUBM-ZDUSSCGKSA-N 1 1 339.826 3.769 20 30 EHEDMO C[C@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001167621565 1027837708 /nfs/dbraw/zinc/83/77/08/1027837708.db2.gz SVWFLFSODNSUBM-ZDUSSCGKSA-N 1 1 339.826 3.769 20 30 EHEDMO [NH2+]=C(NC[C@H](c1cccs1)N1CCCC1)NC1CCCCCC1 ZINC000305740127 1027877555 /nfs/dbraw/zinc/87/75/55/1027877555.db2.gz CHWWVXYKFJUJSS-MRXNPFEDSA-N 1 1 334.533 3.512 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420949599 1027914340 /nfs/dbraw/zinc/91/43/40/1027914340.db2.gz OVFJORBEJQPUTH-CQSZACIVSA-N 1 1 342.361 3.610 20 30 EHEDMO CCC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000533538696 1028050324 /nfs/dbraw/zinc/05/03/24/1028050324.db2.gz LJPLDSCOQQHLFJ-QXAKKESOSA-N 1 1 328.456 3.592 20 30 EHEDMO C=CCCc1ccccc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000455376729 1028086265 /nfs/dbraw/zinc/08/62/65/1028086265.db2.gz CYPLAHFCJFLIOT-FQEVSTJZSA-N 1 1 327.472 3.755 20 30 EHEDMO C=CC(C)(C)CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000455361233 1028094318 /nfs/dbraw/zinc/09/43/18/1028094318.db2.gz DSWLQTCACJTGOO-GDBMZVCRSA-N 1 1 335.517 3.642 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1cc(Cl)ccc1F ZINC000444690073 1028164354 /nfs/dbraw/zinc/16/43/54/1028164354.db2.gz INHLQCDTQDQXAV-UHFFFAOYSA-N 1 1 345.805 3.811 20 30 EHEDMO C=CC[C@H]1[N@H+](CCC(=O)Nc2ccccc2C#N)CCCC1(C)C ZINC000444781952 1028241380 /nfs/dbraw/zinc/24/13/80/1028241380.db2.gz BRPJQFXSMLHVDM-GOSISDBHSA-N 1 1 325.456 3.954 20 30 EHEDMO CCC[C@@]1(CO)CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000444776917 1028266047 /nfs/dbraw/zinc/26/60/47/1028266047.db2.gz MUKAIRMNPZNZQW-KRWDZBQOSA-N 1 1 325.374 3.684 20 30 EHEDMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2ccc(NC(C)=O)cc2)CCCC1(C)C ZINC000444788039 1028283526 /nfs/dbraw/zinc/28/35/26/1028283526.db2.gz ZUGHJNZEJPJMOP-SFHVURJKSA-N 1 1 343.471 3.650 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)cc1OC ZINC000414530598 1028559210 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C[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC12CCC2 ZINC000279377620 1044020987 /nfs/dbraw/zinc/02/09/87/1044020987.db2.gz JUTRPTKPSZPBEK-KRWDZBQOSA-N 1 1 349.482 3.871 20 30 EHEDMO N#CCCn1cc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c(-c2ccncc2)n1 ZINC000279379193 1044022764 /nfs/dbraw/zinc/02/27/64/1044022764.db2.gz JZILLGYLAUAZQD-LJQANCHMSA-N 1 1 346.438 3.524 20 30 EHEDMO CCC[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279457368 1044097161 /nfs/dbraw/zinc/09/71/61/1044097161.db2.gz UAZUMINTXBLQCX-KRWDZBQOSA-N 1 1 337.471 3.871 20 30 EHEDMO C=C(C)C[N@@H+](CCOc1ccccc1Cl)Cc1ccc(CO)o1 ZINC000512201427 1044114056 /nfs/dbraw/zinc/11/40/56/1044114056.db2.gz YOISXSYRPLYBSR-UHFFFAOYSA-N 1 1 335.831 3.882 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(Cl)c3cccnc23)n1 ZINC000279725804 1044470734 /nfs/dbraw/zinc/47/07/34/1044470734.db2.gz MNFSVECFOTXTHF-UHFFFAOYSA-N 1 1 338.842 3.740 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(Cl)c3cccnc23)n1 ZINC000279725804 1044470742 /nfs/dbraw/zinc/47/07/42/1044470742.db2.gz MNFSVECFOTXTHF-UHFFFAOYSA-N 1 1 338.842 3.740 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000076152966 1125543422 /nfs/dbraw/zinc/54/34/22/1125543422.db2.gz FNYGACVESNOVCF-TZIWHRDSSA-N 1 1 343.430 3.800 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000183757651 1125773683 /nfs/dbraw/zinc/77/36/83/1125773683.db2.gz CUKHWOURCNMTIB-NEPJUHHUSA-N 1 1 342.270 3.652 20 30 EHEDMO C[C@@H](NCC#Cc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185711079 1126989779 /nfs/dbraw/zinc/98/97/79/1126989779.db2.gz RNCYGRLHPYRTGG-SJLPKXTDSA-N 1 1 330.903 3.934 20 30 EHEDMO C=CCSc1ccccc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654316810 1127109167 /nfs/dbraw/zinc/10/91/67/1127109167.db2.gz CXFCUWWLCBTURB-IAGOWNOFSA-N 1 1 330.497 3.711 20 30 EHEDMO COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@@H](C)C#N)cc2)c1 ZINC000183819911 1127387371 /nfs/dbraw/zinc/38/73/71/1127387371.db2.gz DSDPBBSDKBTIOY-AWEZNQCLSA-N 1 1 326.396 3.745 20 30 EHEDMO CC1(C)CN(C(=O)C2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000383065860 1127528018 /nfs/dbraw/zinc/52/80/18/1127528018.db2.gz FDGGORPWKOVSOK-UHFFFAOYSA-N 1 1 339.483 3.583 20 30 EHEDMO CC1(C)CN(C(=O)C2(C#N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000383065860 1127528020 /nfs/dbraw/zinc/52/80/20/1127528020.db2.gz FDGGORPWKOVSOK-UHFFFAOYSA-N 1 1 339.483 3.583 20 30 EHEDMO CC[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000171951951 1127635987 /nfs/dbraw/zinc/63/59/87/1127635987.db2.gz UGXPULVWAFAFLO-CABCVRRESA-N 1 1 333.501 3.997 20 30 EHEDMO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301064956 1128571410 /nfs/dbraw/zinc/57/14/10/1128571410.db2.gz DHOQFTUAXSTLSP-QGZVFWFLSA-N 1 1 336.395 3.543 20 30 EHEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000301133134 1128574912 /nfs/dbraw/zinc/57/49/12/1128574912.db2.gz UYENJJVKWRXGGU-UHFFFAOYSA-N 1 1 346.409 3.568 20 30 EHEDMO CCc1ccc(C[NH+]2CCN(c3ccc(Cl)c(C#N)n3)CC2)s1 ZINC000301387801 1128589055 /nfs/dbraw/zinc/58/90/55/1128589055.db2.gz WXSXHMCNSMYGCA-UHFFFAOYSA-N 1 1 346.887 3.553 20 30 EHEDMO Cc1nnc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(C#N)c1C ZINC000301417421 1128590487 /nfs/dbraw/zinc/59/04/87/1128590487.db2.gz MKWPJEMMSIZYKE-YOEHRIQHSA-N 1 1 341.484 3.522 20 30 EHEDMO N#Cc1ccc(F)c(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1 ZINC000303990585 1128712397 /nfs/dbraw/zinc/71/23/97/1128712397.db2.gz LGFZRDVCZIFFCJ-FQEVSTJZSA-N 1 1 342.389 3.782 20 30 EHEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000072761203 1128735822 /nfs/dbraw/zinc/73/58/22/1128735822.db2.gz LRKUBDBIMIBEGJ-KRWDZBQOSA-N 1 1 341.480 3.820 20 30 EHEDMO C[NH+]1CCN(c2ccc(N[C@H]3CCC[C@@H](C#N)C3)cc2Cl)CC1 ZINC000765919621 1128747182 /nfs/dbraw/zinc/74/71/82/1128747182.db2.gz GUZJGOGWBXSOBP-CABCVRRESA-N 1 1 332.879 3.586 20 30 EHEDMO CCCC[N@@H+](C)CC1CCN(c2cc(C#N)ccc2C(C)=O)CC1 ZINC000542880999 1128771099 /nfs/dbraw/zinc/77/10/99/1128771099.db2.gz ITGANGNNHGQIPB-UHFFFAOYSA-N 1 1 327.472 3.709 20 30 EHEDMO Cc1ccc(OC2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)cc1 ZINC000091672885 1128777391 /nfs/dbraw/zinc/77/73/91/1128777391.db2.gz DCJSJUKHTNGFSG-UHFFFAOYSA-N 1 1 346.434 3.558 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000305748721 1128781329 /nfs/dbraw/zinc/78/13/29/1128781329.db2.gz XJGYHQPRAJIXNK-IAGOWNOFSA-N 1 1 342.464 3.716 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000252103181 1128814331 /nfs/dbraw/zinc/81/43/31/1128814331.db2.gz GPGHBTMYPIWQQW-AEFFLSMTSA-N 1 1 329.463 3.784 20 30 EHEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000921848145 1128820469 /nfs/dbraw/zinc/82/04/69/1128820469.db2.gz HCGZHFCMSNMBNJ-INIZCTEOSA-N 1 1 331.423 3.607 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC1CCC1 ZINC000111298049 1128857263 /nfs/dbraw/zinc/85/72/63/1128857263.db2.gz LPPKNFVWSOAQAA-UHFFFAOYSA-N 1 1 331.485 3.559 20 30 EHEDMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)nc1 ZINC000253146624 1128872115 /nfs/dbraw/zinc/87/21/15/1128872115.db2.gz YPRVCHSACNHXNU-APWZRJJASA-N 1 1 348.450 3.673 20 30 EHEDMO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000185402222 1120412602 /nfs/dbraw/zinc/41/26/02/1120412602.db2.gz WSNDCZVFOYQKBV-LJQANCHMSA-N 1 1 328.500 3.756 20 30 EHEDMO C=CCC[C@H](C(=O)NC[C@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC000186155434 1120446631 /nfs/dbraw/zinc/44/66/31/1120446631.db2.gz UNINNHOOPGLYSZ-ZWKOTPCHSA-N 1 1 326.440 3.749 20 30 EHEDMO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]2C[N@@H+](CCC(C)(C)C#N)C[C@H]21 ZINC000495151763 1120971786 /nfs/dbraw/zinc/97/17/86/1120971786.db2.gz BOSJGLUXOSMLSX-XHSDSOJGSA-N 1 1 335.492 3.551 20 30 EHEDMO C[C@H]([N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(C)(C)C ZINC000915215967 1121251665 /nfs/dbraw/zinc/25/16/65/1121251665.db2.gz FCBTYRWCPRSNGS-ZFWWWQNUSA-N 1 1 336.439 3.590 20 30 EHEDMO N#Cc1csc(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000193420531 1121263929 /nfs/dbraw/zinc/26/39/29/1121263929.db2.gz HNRLLVIFPAWEBK-UHFFFAOYSA-N 1 1 328.412 3.854 20 30 EHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(Br)ncc1F ZINC000762731777 1121430901 /nfs/dbraw/zinc/43/09/01/1121430901.db2.gz FLCNTRBGBOLACZ-JTQLQIEISA-N 1 1 334.192 3.706 20 30 EHEDMO C[C@@H](NCc1csc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000921976404 1128989057 /nfs/dbraw/zinc/98/90/57/1128989057.db2.gz FEHIICOYNAIYLB-CRAIPNDOSA-N 1 1 325.481 3.620 20 30 EHEDMO C[C@H](C#N)C[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C1CC1 ZINC000496137909 1121920253 /nfs/dbraw/zinc/92/02/53/1121920253.db2.gz CXOWVRMBGSTHJM-OWCLPIDISA-N 1 1 335.492 3.646 20 30 EHEDMO CN(CCO)c1ccc(C=[NH+]Nc2cccc(C(F)(F)F)c2)cc1 ZINC000916260203 1122105749 /nfs/dbraw/zinc/10/57/49/1122105749.db2.gz SVOVFQWZDSHUCR-UHFFFAOYSA-N 1 1 337.345 3.580 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCC[N@H+]2CCCC#N)C1 ZINC000496623988 1122136383 /nfs/dbraw/zinc/13/63/83/1122136383.db2.gz NSRTXNOCBPLRPZ-IAGOWNOFSA-N 1 1 335.492 3.792 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000032831996 1122142131 /nfs/dbraw/zinc/14/21/31/1122142131.db2.gz STKUWRRUKHGLIH-KKSFZXQISA-N 1 1 343.515 3.859 20 30 EHEDMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000496801231 1122183189 /nfs/dbraw/zinc/18/31/89/1122183189.db2.gz CSKDJANKAZQYSA-INIZCTEOSA-N 1 1 349.434 3.902 20 30 EHEDMO N#Cc1cccc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311837852 1129046376 /nfs/dbraw/zinc/04/63/76/1129046376.db2.gz MYMYQDHIHGROKZ-HXUWFJFHSA-N 1 1 347.462 3.590 20 30 EHEDMO C=C(C)COCC[NH2+][C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000125700731 1122325470 /nfs/dbraw/zinc/32/54/70/1122325470.db2.gz ATQUXBMQOPNSOD-LJQANCHMSA-N 1 1 342.414 3.688 20 30 EHEDMO C[NH+](C)[C@H](C(=O)Nc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000066047508 1122454060 /nfs/dbraw/zinc/45/40/60/1122454060.db2.gz DYNBXZCUDMBKDU-IBGZPJMESA-N 1 1 337.423 3.611 20 30 EHEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000497422767 1122547256 /nfs/dbraw/zinc/54/72/56/1122547256.db2.gz SOKGFDMCBKCVCF-OAQYLSRUSA-N 1 1 335.451 3.504 20 30 EHEDMO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc2c1OCO2 ZINC000154365947 1122579290 /nfs/dbraw/zinc/57/92/90/1122579290.db2.gz ADQVNPZAOLVEBX-UHFFFAOYSA-N 1 1 338.407 3.706 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CC1CCCC1 ZINC000069227552 1122759068 /nfs/dbraw/zinc/75/90/68/1122759068.db2.gz YVRHBUDVRMZZIZ-HNNXBMFYSA-N 1 1 331.435 3.583 20 30 EHEDMO C=CCC(CC=C)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000129719618 1122837513 /nfs/dbraw/zinc/83/75/13/1122837513.db2.gz IFENCRMYUVHDCU-UHFFFAOYSA-N 1 1 340.511 3.922 20 30 EHEDMO N#Cc1cc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)cs1 ZINC000922104716 1129104017 /nfs/dbraw/zinc/10/40/17/1129104017.db2.gz CCIMDIYLAFYGIQ-CQSZACIVSA-N 1 1 349.253 3.996 20 30 EHEDMO CC(C)C[N@H+](CCC#N)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000921230812 1123492318 /nfs/dbraw/zinc/49/23/18/1123492318.db2.gz ARLWKEAPSQJQEL-ZDUSSCGKSA-N 1 1 345.270 3.605 20 30 EHEDMO CC(C)C[N@@H+](CCC#N)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000921230812 1123492322 /nfs/dbraw/zinc/49/23/22/1123492322.db2.gz ARLWKEAPSQJQEL-ZDUSSCGKSA-N 1 1 345.270 3.605 20 30 EHEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(C)cc1Br ZINC000076734749 1123516861 /nfs/dbraw/zinc/51/68/61/1123516861.db2.gz OSMADZQBNFIGSC-UHFFFAOYSA-N 1 1 325.250 3.594 20 30 EHEDMO CS[C@H]1CCCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000134613394 1123536552 /nfs/dbraw/zinc/53/65/52/1123536552.db2.gz XIYLKLIQZYNNPA-AEFFLSMTSA-N 1 1 345.512 3.539 20 30 EHEDMO C=CC[N@H+](CCOCc1ccc(OC)cc1)Cc1cccc(C#N)c1 ZINC000609385226 1123567863 /nfs/dbraw/zinc/56/78/63/1123567863.db2.gz FHRGSTSTUQVAMA-UHFFFAOYSA-N 1 1 336.435 3.772 20 30 EHEDMO C[N@@H+](Cc1ccccc1CNC[C@@H](C#N)CCC#N)C1CCCCC1 ZINC000609574534 1123611826 /nfs/dbraw/zinc/61/18/26/1123611826.db2.gz PDOQUAXLCKEAMS-GOSISDBHSA-N 1 1 338.499 3.984 20 30 EHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000609556396 1123612912 /nfs/dbraw/zinc/61/29/12/1123612912.db2.gz FBFONICVXCHIFO-AWEZNQCLSA-N 1 1 346.450 3.719 20 30 EHEDMO CC(C)[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000609631869 1123634842 /nfs/dbraw/zinc/63/48/42/1123634842.db2.gz ALGHIEOJPXBZSO-SFHVURJKSA-N 1 1 327.472 3.691 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000610132300 1123739027 /nfs/dbraw/zinc/73/90/27/1123739027.db2.gz RUVJRWXBDCJTEB-GOSISDBHSA-N 1 1 340.398 3.922 20 30 EHEDMO C=CCN(Cc1ccccc1F)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000615672530 1123853189 /nfs/dbraw/zinc/85/31/89/1123853189.db2.gz YDWYZBQKTSEUOS-IRXDYDNUSA-N 1 1 347.478 3.786 20 30 EHEDMO C=CCC[C@@H](NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000246237122 1124059954 /nfs/dbraw/zinc/05/99/54/1124059954.db2.gz CVAQHFKMNZMARW-PKOBYXMFSA-N 1 1 329.488 3.677 20 30 EHEDMO C=CC[C@H](NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)c1ccncc1 ZINC000734658304 1131262996 /nfs/dbraw/zinc/26/29/96/1131262996.db2.gz QQXLTHIHSIDHDL-MJGOQNOKSA-N 1 1 344.503 3.653 20 30 EHEDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000246549456 1124508826 /nfs/dbraw/zinc/50/88/26/1124508826.db2.gz KHSGSNPMSVIWCT-PKOBYXMFSA-N 1 1 342.487 3.595 20 30 EHEDMO N#Cc1cccc(OC2CC[NH+](Cc3cnc(C4CC4)s3)CC2)c1 ZINC000092034437 1125020512 /nfs/dbraw/zinc/02/05/12/1125020512.db2.gz RIOYDYVZQJVOOK-UHFFFAOYSA-N 1 1 339.464 3.936 20 30 EHEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000618742589 1125178803 /nfs/dbraw/zinc/17/88/03/1125178803.db2.gz ZLNMESIBEVPRCF-QGZVFWFLSA-N 1 1 332.432 3.854 20 30 EHEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1nccn1Cc1ccccc1 ZINC000618741634 1125178977 /nfs/dbraw/zinc/17/89/77/1125178977.db2.gz IEHPXEJJTRGUJF-HXUWFJFHSA-N 1 1 328.419 3.580 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CCCOc2ccc(C#N)cc2)C1 ZINC000735491451 1131353241 /nfs/dbraw/zinc/35/32/41/1131353241.db2.gz HNRJPMHBCKWSOF-WSTZPKSXSA-N 1 1 341.499 3.664 20 30 EHEDMO Cc1cc(Cl)c2ncc(C#N)c(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2c1 ZINC000619792619 1125410049 /nfs/dbraw/zinc/41/00/49/1125410049.db2.gz CGVTYWZFQOYADE-GXTWGEPZSA-N 1 1 328.847 3.963 20 30 EHEDMO CCC[N@H+]1Cc2cccc(NC(=O)/C=C/c3ccccc3C#N)c2C1 ZINC000066514631 1129179747 /nfs/dbraw/zinc/17/97/47/1129179747.db2.gz UTXWBCPWPHPDOR-ZHACJKMWSA-N 1 1 331.419 3.936 20 30 EHEDMO CC(N=Nc1cccc(F)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735614470 1131363609 /nfs/dbraw/zinc/36/36/09/1131363609.db2.gz ZTOXQYXKGRVJHE-LJQANCHMSA-N 1 1 327.403 3.515 20 30 EHEDMO CC(N=Nc1cccc(F)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735614470 1131363615 /nfs/dbraw/zinc/36/36/15/1131363615.db2.gz ZTOXQYXKGRVJHE-LJQANCHMSA-N 1 1 327.403 3.515 20 30 EHEDMO CC[N@@H+](CCc1ccccc1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000154075026 1129531330 /nfs/dbraw/zinc/53/13/30/1129531330.db2.gz JXXNLDCITXHRQH-OAHLLOKOSA-N 1 1 339.439 3.660 20 30 EHEDMO N#Cc1ccc(N2CC[NH+](Cc3ccc4occc4c3)CC2)c(F)c1 ZINC000347856745 1129932567 /nfs/dbraw/zinc/93/25/67/1129932567.db2.gz BLSGDXAQXRIACD-UHFFFAOYSA-N 1 1 335.382 3.766 20 30 EHEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000625701218 1129986156 /nfs/dbraw/zinc/98/61/56/1129986156.db2.gz NXHKDSUJWDLTIH-HUUCEWRRSA-N 1 1 342.302 3.553 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccc(C#N)s1 ZINC000246006161 1130336618 /nfs/dbraw/zinc/33/66/18/1130336618.db2.gz JYFNUVIVGOHBEY-IGOJGBNBSA-N 1 1 339.508 3.866 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000246006161 1130336637 /nfs/dbraw/zinc/33/66/37/1130336637.db2.gz JYFNUVIVGOHBEY-IGOJGBNBSA-N 1 1 339.508 3.866 20 30 EHEDMO COc1ccc(C[NH2+]C2CCN([C@H](C)c3ccccc3)CC2)cc1C#N ZINC000174402488 1130356979 /nfs/dbraw/zinc/35/69/79/1130356979.db2.gz IUDDFUQPRDMWDB-QGZVFWFLSA-N 1 1 349.478 3.882 20 30 EHEDMO C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000246276073 1130368416 /nfs/dbraw/zinc/36/84/16/1130368416.db2.gz VHIMSXOBLMBCPN-HKUYNNGSSA-N 1 1 325.481 3.792 20 30 EHEDMO C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000246276073 1130368421 /nfs/dbraw/zinc/36/84/21/1130368421.db2.gz VHIMSXOBLMBCPN-HKUYNNGSSA-N 1 1 325.481 3.792 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cc2ccccc2o1 ZINC000175192528 1130413241 /nfs/dbraw/zinc/41/32/41/1130413241.db2.gz QEGBAHJSHJUKOG-AWEZNQCLSA-N 1 1 333.391 3.763 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cc2ccccc2o1 ZINC000175192528 1130413246 /nfs/dbraw/zinc/41/32/46/1130413246.db2.gz QEGBAHJSHJUKOG-AWEZNQCLSA-N 1 1 333.391 3.763 20 30 EHEDMO CCC[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1O ZINC000727831109 1130598440 /nfs/dbraw/zinc/59/84/40/1130598440.db2.gz ISSDRQNWPKKPMA-UHFFFAOYSA-N 1 1 343.452 3.566 20 30 EHEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1Oc1ccc(C)cc1 ZINC000730286125 1130693616 /nfs/dbraw/zinc/69/36/16/1130693616.db2.gz VFYUGGGFMBXUTN-FQEVSTJZSA-N 1 1 348.446 3.501 20 30 EHEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1Oc1ccc(C)cc1 ZINC000730286125 1130693619 /nfs/dbraw/zinc/69/36/19/1130693619.db2.gz VFYUGGGFMBXUTN-FQEVSTJZSA-N 1 1 348.446 3.501 20 30 EHEDMO CC(=[NH+]Nc1cn[nH]c(=O)c1Cl)c1ccc(N2CCCCC2)cc1 ZINC000730567875 1130721131 /nfs/dbraw/zinc/72/11/31/1130721131.db2.gz BYLKBKHMEARAOJ-UHFFFAOYSA-N 1 1 345.834 3.662 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)OCCCCC#N ZINC000731256603 1130782023 /nfs/dbraw/zinc/78/20/23/1130782023.db2.gz NNWCQHFLQBQHKJ-QGZVFWFLSA-N 1 1 344.455 3.790 20 30 EHEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCOc1ccccc1C#N ZINC000731893569 1130855352 /nfs/dbraw/zinc/85/53/52/1130855352.db2.gz SAGMBJYKQXQEKB-CBGDNZLLSA-N 1 1 336.435 3.788 20 30 EHEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCOc1ccccc1C#N ZINC000731893569 1130855358 /nfs/dbraw/zinc/85/53/58/1130855358.db2.gz SAGMBJYKQXQEKB-CBGDNZLLSA-N 1 1 336.435 3.788 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(C(F)F)CC2)cc1 ZINC000766190500 1130972164 /nfs/dbraw/zinc/97/21/64/1130972164.db2.gz ONNURAOCDGKSHD-OAHLLOKOSA-N 1 1 349.425 3.607 20 30 EHEDMO C=CCOCCC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000348042141 1131134879 /nfs/dbraw/zinc/13/48/79/1131134879.db2.gz YZHKRDYURNWJAJ-GFCCVEGCSA-N 1 1 334.407 3.934 20 30 EHEDMO C#CC[N@H+](CCc1nc2ccccc2n1C)[C@@H]1CCc2ccccc21 ZINC000733897413 1131163214 /nfs/dbraw/zinc/16/32/14/1131163214.db2.gz FPUSCXVSDCWJMQ-HXUWFJFHSA-N 1 1 329.447 3.739 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000734361919 1131224997 /nfs/dbraw/zinc/22/49/97/1131224997.db2.gz KKLMOUGMWZNBND-HNNXBMFYSA-N 1 1 338.411 3.905 20 30 EHEDMO CCCCCCCC[N@@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000740875994 1131552108 /nfs/dbraw/zinc/55/21/08/1131552108.db2.gz LQUYSKSDQCFFKM-OAHLLOKOSA-N 1 1 326.506 3.687 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000741808816 1131650485 /nfs/dbraw/zinc/65/04/85/1131650485.db2.gz UNLMJJGHSCPVAZ-DQLDELGASA-N 1 1 348.446 3.898 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000741808816 1131650486 /nfs/dbraw/zinc/65/04/86/1131650486.db2.gz UNLMJJGHSCPVAZ-DQLDELGASA-N 1 1 348.446 3.898 20 30 EHEDMO COC[C@H]1C[N@H+]([C@H](C)CCCC#N)Cc2cn(CC3CCCC3)nc21 ZINC001172496910 1131758333 /nfs/dbraw/zinc/75/83/33/1131758333.db2.gz UFHPKIDZDIAYCO-VQIMIIECSA-N 1 1 344.503 3.701 20 30 EHEDMO C[C@H](CCCC#N)[N@H+]1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001172495336 1131758514 /nfs/dbraw/zinc/75/85/14/1131758514.db2.gz DQZDSVQONJYZLL-JWZBEHFJSA-N 1 1 331.485 3.865 20 30 EHEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001172496868 1131758530 /nfs/dbraw/zinc/75/85/30/1131758530.db2.gz SIFQGRMHVSHHQW-LPHOPBHVSA-N 1 1 335.492 3.792 20 30 EHEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001172496869 1131758602 /nfs/dbraw/zinc/75/86/02/1131758602.db2.gz SIFQGRMHVSHHQW-QFBILLFUSA-N 1 1 335.492 3.792 20 30 EHEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@H](OCC2CC2)[C@@H]1Cc1cccnc1 ZINC001172496946 1131759043 /nfs/dbraw/zinc/75/90/43/1131759043.db2.gz VANADOYVLLXPQB-VDGAXYAQSA-N 1 1 327.472 3.576 20 30 EHEDMO Cc1cccc(N2C[C@]3(CC[N@H+]([C@@H](C)CCCC#N)C3)CC2=O)c1 ZINC001172497297 1131759601 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3.836 20 30 EHEDMO C=CCN1CC[C@]2(CCC[N@H+](C3CCC4(CCCC4)CC3)C2)C1=O ZINC001172726306 1131825737 /nfs/dbraw/zinc/82/57/37/1131825737.db2.gz NOBSEPUCCPXSIL-NRFANRHFSA-N 1 1 330.516 3.990 20 30 EHEDMO COc1ccc(O)c(/C=N/[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000743044375 1131842062 /nfs/dbraw/zinc/84/20/62/1131842062.db2.gz IJQLAZSVQGJATO-OVBDPADQSA-N 1 1 335.407 3.537 20 30 EHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)[C@H](C)[C@H]1c1ccccc1 ZINC000743355915 1131899314 /nfs/dbraw/zinc/89/93/14/1131899314.db2.gz KDIBYQMJEOLYLW-UTKZUKDTSA-N 1 1 347.462 3.946 20 30 EHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)[C@H](C)[C@H]1c1ccccc1 ZINC000743355915 1131899322 /nfs/dbraw/zinc/89/93/22/1131899322.db2.gz KDIBYQMJEOLYLW-UTKZUKDTSA-N 1 1 347.462 3.946 20 30 EHEDMO N#Cc1ccc(-c2ccn(C[NH+]3CCC(C(F)(F)F)CC3)n2)cc1 ZINC000743386444 1131907279 /nfs/dbraw/zinc/90/72/79/1131907279.db2.gz GAJXOZAAXNOZBZ-UHFFFAOYSA-N 1 1 334.345 3.654 20 30 EHEDMO C=CCn1c2ccccc2n(C[N@H+]2CCC3(C2)CCOCC3)c1=S ZINC000743406669 1131916847 /nfs/dbraw/zinc/91/68/47/1131916847.db2.gz YKIFXKDWCIUWSK-UHFFFAOYSA-N 1 1 343.496 3.818 20 30 EHEDMO CCCC[C@H](CC(C)C)[NH2+][C@H](Cc1ccc(C#N)cc1)C(=O)OC ZINC001173254774 1132021375 /nfs/dbraw/zinc/02/13/75/1132021375.db2.gz BBCCTXUOBXRURJ-RTBURBONSA-N 1 1 330.472 3.837 20 30 EHEDMO C=CCOC1CCC([N@@H+](CC)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001173322777 1132045953 /nfs/dbraw/zinc/04/59/53/1132045953.db2.gz LWFGLFAMJOGDHH-UHFFFAOYSA-N 1 1 340.508 3.689 20 30 EHEDMO C=CCOC1CCC([N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)CC1 ZINC001173323576 1132046651 /nfs/dbraw/zinc/04/66/51/1132046651.db2.gz DSULHFPVVCMZEG-MHJFOBGBSA-N 1 1 340.467 3.915 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@H+](C1CCC(CC#N)CC1)C2 ZINC001173330807 1132049292 /nfs/dbraw/zinc/04/92/92/1132049292.db2.gz DZFZEFWFKKUCPT-LBXVMSDZSA-N 1 1 347.503 3.934 20 30 EHEDMO CCC[C@@H]([NH2+]C1CCC(CC#N)CC1)C(=O)OCc1ccccc1 ZINC001173334387 1132051813 /nfs/dbraw/zinc/05/18/13/1132051813.db2.gz VZTXBTKUHZPZBN-NKELODKYSA-N 1 1 328.456 3.961 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](C3CCC(CC#N)CC3)CC[C@H]21 ZINC001173335155 1132052086 /nfs/dbraw/zinc/05/20/86/1132052086.db2.gz BRTXUXTTYSRMIV-JYSRZZCRSA-N 1 1 347.503 3.790 20 30 EHEDMO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)C[N@@H+](C1CCC(CC#N)CC1)C2 ZINC001173336412 1132052624 /nfs/dbraw/zinc/05/26/24/1132052624.db2.gz YFXRIWCREZUBAE-ZTOOSOLZSA-N 1 1 347.503 3.648 20 30 EHEDMO N#CCC1CCC([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001173336905 1132052946 /nfs/dbraw/zinc/05/29/46/1132052946.db2.gz QUMHNKCRFFYLFE-KSBZDLFUSA-N 1 1 337.511 3.913 20 30 EHEDMO N#CCC1CCC(N2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001173336905 1132052954 /nfs/dbraw/zinc/05/29/54/1132052954.db2.gz QUMHNKCRFFYLFE-KSBZDLFUSA-N 1 1 337.511 3.913 20 30 EHEDMO N#CCC1CCC(N2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001173336905 1132052962 /nfs/dbraw/zinc/05/29/62/1132052962.db2.gz QUMHNKCRFFYLFE-KSBZDLFUSA-N 1 1 337.511 3.913 20 30 EHEDMO N#CCC1CCC([N@@H+]2CCCC[C@H]2[C@@H](C(N)=O)c2ccccc2)CC1 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326.525 3.730 20 30 EHEDMO CCCCCCCCOC(=O)C[NH2+][C@@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173634173 1132110976 /nfs/dbraw/zinc/11/09/76/1132110976.db2.gz FRQGEXDCIRJHKF-DLBZAZTESA-N 1 1 341.492 3.602 20 30 EHEDMO CC(C)(C)n1cc(C#N)cc1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174444158 1132360996 /nfs/dbraw/zinc/36/09/96/1132360996.db2.gz BQKNHVVQQRTKIU-UHFFFAOYSA-N 1 1 338.455 3.691 20 30 EHEDMO N#Cc1ccc(C[N@@H+](CCCOc2ccc(C#N)cc2)C2CC2)cc1 ZINC000746115450 1132377167 /nfs/dbraw/zinc/37/71/67/1132377167.db2.gz UWDWAKAEPLUZCA-UHFFFAOYSA-N 1 1 331.419 3.863 20 30 EHEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc4c(c3)CCCO4)sc2C1 ZINC001174719012 1132450748 /nfs/dbraw/zinc/45/07/48/1132450748.db2.gz DQPLOESULBVYHF-UHFFFAOYSA-N 1 1 325.437 3.676 20 30 EHEDMO C#CCCCCC(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000773407698 1132478302 /nfs/dbraw/zinc/47/83/02/1132478302.db2.gz CROXHILZKKQURR-KRWDZBQOSA-N 1 1 328.456 3.539 20 30 EHEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000746457877 1132541393 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EHEDMO C=CCC[C@H]1CCC[N@@H+]1CC(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC001176771175 1133000203 /nfs/dbraw/zinc/00/02/03/1133000203.db2.gz GWGLTQAGAZVOFG-IBGZPJMESA-N 1 1 326.484 3.917 20 30 EHEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC001176814070 1133001663 /nfs/dbraw/zinc/00/16/63/1133001663.db2.gz JZPGMOGIIRABFE-QUCCMNQESA-N 1 1 342.483 3.789 20 30 EHEDMO CC(C)(C)n1cncc1[C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC001176990297 1133020131 /nfs/dbraw/zinc/02/01/31/1133020131.db2.gz GPRCSKPFHBEYEY-LJQANCHMSA-N 1 1 336.483 3.932 20 30 EHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H](O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000767730996 1133044872 /nfs/dbraw/zinc/04/48/72/1133044872.db2.gz LLQGNPXJIIVMMV-HXUWFJFHSA-N 1 1 340.373 3.659 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773659005 1133063488 /nfs/dbraw/zinc/06/34/88/1133063488.db2.gz UJIMPXSNTNNGCB-HNNXBMFYSA-N 1 1 347.890 3.637 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773659005 1133063494 /nfs/dbraw/zinc/06/34/94/1133063494.db2.gz UJIMPXSNTNNGCB-HNNXBMFYSA-N 1 1 347.890 3.637 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000768350208 1133128451 /nfs/dbraw/zinc/12/84/51/1133128451.db2.gz AIAUFSAPTQGBKF-QGZVFWFLSA-N 1 1 346.471 3.741 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)cc1 ZINC000769025834 1133215407 /nfs/dbraw/zinc/21/54/07/1133215407.db2.gz ZZPNIKMYBBHOHK-HRAATJIYSA-N 1 1 336.435 3.723 20 30 EHEDMO CC1(C)C[C@H](NCc2ccc(CC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC001179028024 1133223731 /nfs/dbraw/zinc/22/37/31/1133223731.db2.gz IIZBMJQICJOZLU-NRFANRHFSA-N 1 1 333.479 3.895 20 30 EHEDMO CC1(C)C[C@H](NCc2ccc(CC#N)cc2)C[N@H+]1Cc1ccccc1 ZINC001179028024 1133223735 /nfs/dbraw/zinc/22/37/35/1133223735.db2.gz IIZBMJQICJOZLU-NRFANRHFSA-N 1 1 333.479 3.895 20 30 EHEDMO C[N@@H+](CCOC(=O)c1ccc(Cl)c(C#N)c1)Cc1ccc(F)cc1 ZINC000769137056 1133231314 /nfs/dbraw/zinc/23/13/14/1133231314.db2.gz UQPBSYRDQAGXGF-UHFFFAOYSA-N 1 1 346.789 3.640 20 30 EHEDMO COc1cc(C[NH2+][C@@H]2CCc3ccccc3-n3ccnc32)ccc1C#N ZINC001179199256 1133235267 /nfs/dbraw/zinc/23/52/67/1133235267.db2.gz AWWFQOREEPOAHB-GOSISDBHSA-N 1 1 344.418 3.530 20 30 EHEDMO Cc1cccn2cc(COc3ccc(C[NH2+][C@@H](C)CC#N)cc3)nc12 ZINC001179479120 1133254128 /nfs/dbraw/zinc/25/41/28/1133254128.db2.gz JUTVSZFWXHWYFX-INIZCTEOSA-N 1 1 334.423 3.614 20 30 EHEDMO C#CCOc1ccccc1C[NH2+]Cc1cc(-c2cccc(OC)c2)no1 ZINC001179665453 1133273318 /nfs/dbraw/zinc/27/33/18/1133273318.db2.gz BTEZQGVCHBZKMH-UHFFFAOYSA-N 1 1 348.402 3.652 20 30 EHEDMO C#Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1 ZINC001180210704 1133343642 /nfs/dbraw/zinc/34/36/42/1133343642.db2.gz MORDWHYQRJGBCO-FQEVSTJZSA-N 1 1 332.447 3.561 20 30 EHEDMO Cc1cc(CN(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC001180275399 1133348629 /nfs/dbraw/zinc/34/86/29/1133348629.db2.gz PFWULDGLBDWIPQ-QFIPXVFZSA-N 1 1 333.479 3.963 20 30 EHEDMO Cc1cc(C[N@@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)ccc1C#N ZINC001180275399 1133348633 /nfs/dbraw/zinc/34/86/33/1133348633.db2.gz PFWULDGLBDWIPQ-QFIPXVFZSA-N 1 1 333.479 3.963 20 30 EHEDMO Cc1cc(C[N@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)ccc1C#N ZINC001180275399 1133348636 /nfs/dbraw/zinc/34/86/36/1133348636.db2.gz PFWULDGLBDWIPQ-QFIPXVFZSA-N 1 1 333.479 3.963 20 30 EHEDMO CC(C)C(C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)C(C)C ZINC001180363697 1133366545 /nfs/dbraw/zinc/36/65/45/1133366545.db2.gz DFBUONPUHLAPJR-UHFFFAOYSA-N 1 1 327.516 3.994 20 30 EHEDMO N#Cc1cc(CN2CCC[N@@H+](CCCc3ccccc3)CC2)cs1 ZINC001180488313 1133376006 /nfs/dbraw/zinc/37/60/06/1133376006.db2.gz IHGNCANXEQHICV-UHFFFAOYSA-N 1 1 339.508 3.760 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000770312138 1133409055 /nfs/dbraw/zinc/40/90/55/1133409055.db2.gz XMWXPGGCXZCZEX-IEBWSBKVSA-N 1 1 327.424 3.933 20 30 EHEDMO C=C1CC=C(F)C=C1NC(=O)C12CC(C1)CC[N@H+]2Cc1ccccc1 ZINC001181493059 1133493373 /nfs/dbraw/zinc/49/33/73/1133493373.db2.gz BHOIOBCHIRTAIS-UHFFFAOYSA-N 1 1 338.426 3.855 20 30 EHEDMO C#CC1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](CC)CCCC)CC1 ZINC001182233551 1133595156 /nfs/dbraw/zinc/59/51/56/1133595156.db2.gz HVYRSDXQMIXJHT-HXUWFJFHSA-N 1 1 326.484 3.722 20 30 EHEDMO C#CC[N@@H+](Cc1nc2sc(C)c(C)c2c(N)n1)C1CCCCC1 ZINC000772176404 1133649025 /nfs/dbraw/zinc/64/90/25/1133649025.db2.gz ZZEHBCSBTMRYGA-UHFFFAOYSA-N 1 1 328.485 3.658 20 30 EHEDMO C#CC[N@H+](Cc1nc2sc(C)c(C)c2c(N)n1)C1CCCCC1 ZINC000772176404 1133649027 /nfs/dbraw/zinc/64/90/27/1133649027.db2.gz ZZEHBCSBTMRYGA-UHFFFAOYSA-N 1 1 328.485 3.658 20 30 EHEDMO CC(C)[N@@H+]1CC[C@H]1C(=O)N(C1=CC(=O)CCC1)[C@H](C)c1ccccc1 ZINC001182851869 1133742400 /nfs/dbraw/zinc/74/24/00/1133742400.db2.gz LABFENVXUZDHGU-UZLBHIALSA-N 1 1 340.467 3.696 20 30 EHEDMO CC(C)[N@H+]1CC[C@H]1C(=O)N(C1=CC(=O)CCC1)[C@H](C)c1ccccc1 ZINC001182851869 1133742404 /nfs/dbraw/zinc/74/24/04/1133742404.db2.gz LABFENVXUZDHGU-UZLBHIALSA-N 1 1 340.467 3.696 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC001183065386 1133765465 /nfs/dbraw/zinc/76/54/65/1133765465.db2.gz KJPKXURCCWKKLW-CQSZACIVSA-N 1 1 333.357 3.736 20 30 EHEDMO N#CC1(C[NH+]2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000785964396 1133784408 /nfs/dbraw/zinc/78/44/08/1133784408.db2.gz JVOQIXARFWOXHQ-UHFFFAOYSA-N 1 1 332.447 3.941 20 30 EHEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000785997755 1133789551 /nfs/dbraw/zinc/78/95/51/1133789551.db2.gz RWGZJHRPCXEZSU-ZDUSSCGKSA-N 1 1 326.412 3.980 20 30 EHEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000785997755 1133789559 /nfs/dbraw/zinc/78/95/59/1133789559.db2.gz RWGZJHRPCXEZSU-ZDUSSCGKSA-N 1 1 326.412 3.980 20 30 EHEDMO Clc1ccccc1C[NH+]1CCC(=NOCc2cccnc2)CC1 ZINC000746588727 1133862819 /nfs/dbraw/zinc/86/28/19/1133862819.db2.gz RJMXTOPDGQZBKI-UHFFFAOYSA-N 1 1 329.831 3.904 20 30 EHEDMO CC[N@@H+](c1ccc(Nc2ccc(C(=O)OC)nc2C#N)cc1)C(C)C ZINC001184757522 1133983564 /nfs/dbraw/zinc/98/35/64/1133983564.db2.gz CHMJUQMVHFOOSM-UHFFFAOYSA-N 1 1 338.411 3.718 20 30 EHEDMO CC[N@H+](c1ccc(Nc2ccc(C(=O)OC)nc2C#N)cc1)C(C)C ZINC001184757522 1133983568 /nfs/dbraw/zinc/98/35/68/1133983568.db2.gz CHMJUQMVHFOOSM-UHFFFAOYSA-N 1 1 338.411 3.718 20 30 EHEDMO C=CC[C@H]1[N@H+](Cc2cc(Br)nn2C)CCCC1(C)C ZINC000787289216 1133983827 /nfs/dbraw/zinc/98/38/27/1133983827.db2.gz GUPCJKGIIACLMN-CYBMUJFWSA-N 1 1 326.282 3.749 20 30 EHEDMO C=CC[C@H]1[N@@H+](Cc2cc(Br)nn2C)CCCC1(C)C ZINC000787289216 1133983829 /nfs/dbraw/zinc/98/38/29/1133983829.db2.gz GUPCJKGIIACLMN-CYBMUJFWSA-N 1 1 326.282 3.749 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000746675035 1133992159 /nfs/dbraw/zinc/99/21/59/1133992159.db2.gz AYWUUJLECNCSSZ-CZAAIQMYSA-N 1 1 348.446 3.725 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000746675035 1133992164 /nfs/dbraw/zinc/99/21/64/1133992164.db2.gz AYWUUJLECNCSSZ-CZAAIQMYSA-N 1 1 348.446 3.725 20 30 EHEDMO C=C[C@H](C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccccc1 ZINC001170072294 1134000427 /nfs/dbraw/zinc/00/04/27/1134000427.db2.gz ISDCFQGIDXYKJU-NQIIRXRSSA-N 1 1 334.463 3.862 20 30 EHEDMO CC[N@@H+](CCCNC(=O)OC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000774840316 1134048030 /nfs/dbraw/zinc/04/80/30/1134048030.db2.gz LHCPLINEBWRHJX-OAHLLOKOSA-N 1 1 331.460 3.856 20 30 EHEDMO C#CCC1(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)CCCCC1 ZINC000788157532 1134089631 /nfs/dbraw/zinc/08/96/31/1134089631.db2.gz OQMVTVMHHGKAJI-INIZCTEOSA-N 1 1 344.524 3.585 20 30 EHEDMO C#CCC1(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)CCCCC1 ZINC000788157532 1134089639 /nfs/dbraw/zinc/08/96/39/1134089639.db2.gz OQMVTVMHHGKAJI-INIZCTEOSA-N 1 1 344.524 3.585 20 30 EHEDMO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)ccc1C#N ZINC000774911036 1134118196 /nfs/dbraw/zinc/11/81/96/1134118196.db2.gz FPFCGWLCDULCET-CRAIPNDOSA-N 1 1 343.471 3.744 20 30 EHEDMO COc1ccc(Br)c(CN[NH+]=C(C)c2ccc(N)cc2)c1 ZINC000788728905 1134163668 /nfs/dbraw/zinc/16/36/68/1134163668.db2.gz GOQMCYJXQQLYLB-UHFFFAOYSA-N 1 1 348.244 3.554 20 30 EHEDMO Clc1cccc(N2CCCC2)c1C=[NH+]NCCc1ccncc1 ZINC000789098428 1134224896 /nfs/dbraw/zinc/22/48/96/1134224896.db2.gz YNQUZTNQHGSISC-UHFFFAOYSA-N 1 1 328.847 3.501 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OCC(C)C)cc2)n1 ZINC000789759620 1134327604 /nfs/dbraw/zinc/32/76/04/1134327604.db2.gz XYGULOWTZSZOMY-UHFFFAOYSA-N 1 1 325.456 3.573 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OCC(C)C)cc2)n1 ZINC000789759620 1134327611 /nfs/dbraw/zinc/32/76/11/1134327611.db2.gz XYGULOWTZSZOMY-UHFFFAOYSA-N 1 1 325.456 3.573 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)cc1 ZINC000790635042 1134443808 /nfs/dbraw/zinc/44/38/08/1134443808.db2.gz IRJDKQDDHGOCCQ-QGZVFWFLSA-N 1 1 346.434 3.512 20 30 EHEDMO CCC#C[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001170331962 1134750045 /nfs/dbraw/zinc/75/00/45/1134750045.db2.gz CQVCPYNRTOTKBB-BZSNNMDCSA-N 1 1 334.504 3.757 20 30 EHEDMO C[C@H]1CN(Cc2ccccc2)CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC001170334005 1134751149 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20 30 EHEDMO Cc1ccc(OC(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)cc1 ZINC001194481623 1135276649 /nfs/dbraw/zinc/27/66/49/1135276649.db2.gz UIGULZJQBKPJDC-UHFFFAOYSA-N 1 1 349.434 3.620 20 30 EHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@H]1CC(C)(C)OC1(C)C ZINC001194792808 1135316594 /nfs/dbraw/zinc/31/65/94/1135316594.db2.gz XTTRPUOJVWXVMY-GOSISDBHSA-N 1 1 330.472 3.600 20 30 EHEDMO CC(C)(C)C[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1(C)C ZINC001195055525 1135359839 /nfs/dbraw/zinc/35/98/39/1135359839.db2.gz PSSWVVNEHZTIHW-SFHVURJKSA-N 1 1 341.499 3.711 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000775646469 1135401026 /nfs/dbraw/zinc/40/10/26/1135401026.db2.gz OTBDCOWPLVXGMT-NRFANRHFSA-N 1 1 345.446 3.933 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000775646469 1135401031 /nfs/dbraw/zinc/40/10/31/1135401031.db2.gz OTBDCOWPLVXGMT-NRFANRHFSA-N 1 1 345.446 3.933 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 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OMPKWZIKOIHBII-YQVWRLOYSA-N 1 1 345.870 3.745 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C3CCCCC3)C2)cc1 ZINC001196410614 1135559475 /nfs/dbraw/zinc/55/94/75/1135559475.db2.gz SNQRJNARMAGXMC-GOSISDBHSA-N 1 1 325.456 3.789 20 30 EHEDMO CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1C[N@@H+](CC1CCC(C#N)CC1)C2 ZINC001196470942 1135565226 /nfs/dbraw/zinc/56/52/26/1135565226.db2.gz XCMFBTMHVPKZEO-CVVKJMNTSA-N 1 1 347.503 3.696 20 30 EHEDMO C#CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CCCCC1 ZINC000807740907 1135567123 /nfs/dbraw/zinc/56/71/23/1135567123.db2.gz WVRUFBPTRMEDAN-QUCCMNQESA-N 1 1 338.495 3.739 20 30 EHEDMO C#CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CCCCC1 ZINC000807740906 1135567155 /nfs/dbraw/zinc/56/71/55/1135567155.db2.gz WVRUFBPTRMEDAN-ICSRJNTNSA-N 1 1 338.495 3.739 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCCC[C@H](C)C2)cc1 ZINC000775733125 1135592381 /nfs/dbraw/zinc/59/23/81/1135592381.db2.gz YQYBALHUPYABCH-ROUUACIJSA-N 1 1 327.472 3.752 20 30 EHEDMO CCCCCCC[N@H+]1CCCN(C(=O)c2c(C)cc(C)[nH]c2=O)CC1 ZINC001196689718 1135601457 /nfs/dbraw/zinc/60/14/57/1135601457.db2.gz LFYQPGQSPPOSRG-UHFFFAOYSA-N 1 1 347.503 3.522 20 30 EHEDMO C[C@]1(c2ccc(C(F)(F)F)cc2)CCC[N@H+]1CCOCCC#N ZINC001197003845 1135639264 /nfs/dbraw/zinc/63/92/64/1135639264.db2.gz KRBGUFRSFOAGER-MRXNPFEDSA-N 1 1 326.362 3.947 20 30 EHEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCCSC[C@H]2c2ccccc2)c1 ZINC001197368397 1135685789 /nfs/dbraw/zinc/68/57/89/1135685789.db2.gz HJBBTEJVFGVUGU-PMACEKPBSA-N 1 1 338.476 3.772 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(NC(=S)Nc2cccc(C#N)c2)cc1 ZINC001197712006 1135728831 /nfs/dbraw/zinc/72/88/31/1135728831.db2.gz FIITUOCDZNAFSQ-UHFFFAOYSA-N 1 1 333.420 3.861 20 30 EHEDMO CCC#C[C@H](C)[N@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001197778181 1135736355 /nfs/dbraw/zinc/73/63/55/1135736355.db2.gz SSXJVSBERBJOES-PXNSSMCTSA-N 1 1 334.504 3.901 20 30 EHEDMO C#C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC001198525463 1135828287 /nfs/dbraw/zinc/82/82/87/1135828287.db2.gz MFFLNFAJEUALRN-ZDUSSCGKSA-N 1 1 325.239 3.810 20 30 EHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(N)=NOCc1ccccc1C(C)(C)C#N ZINC000809374056 1135828703 /nfs/dbraw/zinc/82/87/03/1135828703.db2.gz DIZYGXJGUUHHDX-IYBDPMFKSA-N 1 1 342.487 3.749 20 30 EHEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCCC[C@@]23CCCOC3)c1 ZINC001198828609 1135857501 /nfs/dbraw/zinc/85/75/01/1135857501.db2.gz MBJXNTQXNONWIG-KRWDZBQOSA-N 1 1 349.272 3.856 20 30 EHEDMO N#Cc1ccc(Br)c(C[N@H+]2CCCC[C@@]23CCCOC3)c1 ZINC001198828609 1135857504 /nfs/dbraw/zinc/85/75/04/1135857504.db2.gz MBJXNTQXNONWIG-KRWDZBQOSA-N 1 1 349.272 3.856 20 30 EHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000775892119 1135857816 /nfs/dbraw/zinc/85/78/16/1135857816.db2.gz RCYRXTIOHSXRTH-NRFANRHFSA-N 1 1 334.419 3.610 20 30 EHEDMO C#C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F ZINC000809699511 1135869225 /nfs/dbraw/zinc/86/92/25/1135869225.db2.gz SBKPXEASWPVZNH-OAHLLOKOSA-N 1 1 340.826 3.658 20 30 EHEDMO C=CCc1ccc(OC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)c(OC)c1 ZINC000810527045 1135970289 /nfs/dbraw/zinc/97/02/89/1135970289.db2.gz UFZUNZWBCBBOBG-IBGZPJMESA-N 1 1 335.419 3.542 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cc(Cl)ccc1Cl ZINC001201091548 1135987244 /nfs/dbraw/zinc/98/72/44/1135987244.db2.gz RQANKUCLWZNTBG-LBPRGKRZSA-N 1 1 344.311 3.930 20 30 EHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1N=Nc1cnnc2ccccc12 ZINC000776185451 1136024948 /nfs/dbraw/zinc/02/49/48/1136024948.db2.gz BFMVXELOZLGDMM-MRXNPFEDSA-N 1 1 345.450 3.940 20 30 EHEDMO Cc1nc(C#N)ccc1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201474132 1136032237 /nfs/dbraw/zinc/03/22/37/1136032237.db2.gz BMNTZESSGKSRIJ-UXHICEINSA-N 1 1 330.435 3.994 20 30 EHEDMO C=CCN1CC[C@@]2(C[N@@H+](CCC(C)C)C[C@@H]2c2ccccc2)C1=O ZINC001201616595 1136047446 /nfs/dbraw/zinc/04/74/46/1136047446.db2.gz AUVZKTSBVDUYAP-CTNGQTDRSA-N 1 1 326.484 3.537 20 30 EHEDMO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](CCCc3ccccc3)C2)C1 ZINC001201653039 1136051603 /nfs/dbraw/zinc/05/16/03/1136051603.db2.gz PIKPAIVQCXASCD-NRFANRHFSA-N 1 1 342.483 3.730 20 30 EHEDMO CCCCCCCN1CC[N@H+]2C[C@H](OCc3cccc(C)n3)C[C@@H]2C1 ZINC001201762661 1136060480 /nfs/dbraw/zinc/06/04/80/1136060480.db2.gz QPTLTVVRPWUJDX-NHCUHLMSSA-N 1 1 345.531 3.636 20 30 EHEDMO CCCCCCC[N@@H+]1CCN2C[C@H](OCc3cccc(C)n3)C[C@@H]2C1 ZINC001201762661 1136060482 /nfs/dbraw/zinc/06/04/82/1136060482.db2.gz QPTLTVVRPWUJDX-NHCUHLMSSA-N 1 1 345.531 3.636 20 30 EHEDMO CCCCCCC[N@H+]1CCN2C[C@H](OCc3cccc(C)n3)C[C@@H]2C1 ZINC001201762661 1136060483 /nfs/dbraw/zinc/06/04/83/1136060483.db2.gz QPTLTVVRPWUJDX-NHCUHLMSSA-N 1 1 345.531 3.636 20 30 EHEDMO CCCCCCCCCC[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC001201875002 1136071946 /nfs/dbraw/zinc/07/19/46/1136071946.db2.gz NIKRKQMEJGCVSM-UHFFFAOYSA-N 1 1 331.504 3.980 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000811517139 1136097539 /nfs/dbraw/zinc/09/75/39/1136097539.db2.gz JGXHSUWLKAWBIK-HXUWFJFHSA-N 1 1 340.854 3.641 20 30 EHEDMO CN(C)c1cc(Cl)cc(Cl)c1C=[NH+]NC[C@H]1CCSC1 ZINC000811660586 1136115540 /nfs/dbraw/zinc/11/55/40/1136115540.db2.gz QIDGJTGJPNVJRE-SNVBAGLBSA-N 1 1 332.300 3.736 20 30 EHEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000811804314 1136138903 /nfs/dbraw/zinc/13/89/03/1136138903.db2.gz IISZFPWMZXWQIJ-LJQANCHMSA-N 1 1 347.418 3.577 20 30 EHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC001170683079 1136232979 /nfs/dbraw/zinc/23/29/79/1136232979.db2.gz QWYSZNVGDAPTBB-QHCPKHFHSA-N 1 1 348.490 3.992 20 30 EHEDMO C#C[C@H]([NH2+]Cc1ccc(OCC=C)c(OC)c1)c1ccc(F)cc1 ZINC000812793616 1136251372 /nfs/dbraw/zinc/25/13/72/1136251372.db2.gz ZQKBMFDVGASNNA-SFHVURJKSA-N 1 1 325.383 3.863 20 30 EHEDMO CC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000338930439 1136306845 /nfs/dbraw/zinc/30/68/45/1136306845.db2.gz YGGJJICIXUSWLM-ZDUSSCGKSA-N 1 1 325.368 3.755 20 30 EHEDMO C#CCCCCCC[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001170703641 1136316896 /nfs/dbraw/zinc/31/68/96/1136316896.db2.gz ROZKTIPQMQDNTA-ZWKOTPCHSA-N 1 1 334.504 3.901 20 30 EHEDMO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccc1O ZINC000109773581 1136340107 /nfs/dbraw/zinc/34/01/07/1136340107.db2.gz PGIUSTJSSVGBKE-UHFFFAOYSA-N 1 1 347.418 3.575 20 30 EHEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000109813888 1136347194 /nfs/dbraw/zinc/34/71/94/1136347194.db2.gz GSVWNCIZBJMJPI-UHFFFAOYSA-N 1 1 327.472 3.684 20 30 EHEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000109813888 1136347197 /nfs/dbraw/zinc/34/71/97/1136347197.db2.gz GSVWNCIZBJMJPI-UHFFFAOYSA-N 1 1 327.472 3.684 20 30 EHEDMO N#CC1(CC(=O)OC[C@H]2CC[N@H+]2Cc2ccccc2)CCCCC1 ZINC000851469957 1136382676 /nfs/dbraw/zinc/38/26/76/1136382676.db2.gz NTJYCDKDCUGAHP-GOSISDBHSA-N 1 1 326.440 3.668 20 30 EHEDMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000851997348 1136426625 /nfs/dbraw/zinc/42/66/25/1136426625.db2.gz IKYDIEZJVSMJQM-MRXNPFEDSA-N 1 1 349.434 3.750 20 30 EHEDMO N#CCCC[C@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)c1ccccc1 ZINC000814660340 1136486404 /nfs/dbraw/zinc/48/64/04/1136486404.db2.gz UFILUASRMTVXIK-NRFANRHFSA-N 1 1 345.450 3.851 20 30 EHEDMO C#CC[N@H+](CCC(=O)N1CCc2ccccc21)[C@H]1CCc2ccccc21 ZINC000110981757 1136494352 /nfs/dbraw/zinc/49/43/52/1136494352.db2.gz GGHGFKUTPXIJOV-QFIPXVFZSA-N 1 1 344.458 3.589 20 30 EHEDMO CC(=[NH+]Nc1ccc(OC(F)F)cc1)c1cc(F)c(N)c(F)c1 ZINC000814828733 1136510778 /nfs/dbraw/zinc/51/07/78/1136510778.db2.gz PVZAOGWMRVFRCD-UHFFFAOYSA-N 1 1 327.281 3.985 20 30 EHEDMO CC(=NNc1cc[nH+]cc1)c1sc(-c2ccc(F)cc2)nc1C ZINC000814899732 1136521954 /nfs/dbraw/zinc/52/19/54/1136521954.db2.gz KPESACWUJDZHIL-UHFFFAOYSA-N 1 1 326.400 3.911 20 30 EHEDMO OC1CCN(c2ccc(C=[NH+]Nc3ccc(Cl)cc3)cc2)CC1 ZINC000853254811 1136522027 /nfs/dbraw/zinc/52/20/27/1136522027.db2.gz HJDIIADJEGDJAX-UHFFFAOYSA-N 1 1 329.831 3.747 20 30 EHEDMO C[C@@H]1C(=NN[C@H]2CCOC(C)(C)C2)CCC[N@H+]1Cc1ccccc1 ZINC000814908554 1136523554 /nfs/dbraw/zinc/52/35/54/1136523554.db2.gz RAZWTDVFGQVSLO-AEFFLSMTSA-N 1 1 329.488 3.574 20 30 EHEDMO C[C@@H]1C(=NN[C@H]2CCOC(C)(C)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000814908554 1136523556 /nfs/dbraw/zinc/52/35/56/1136523556.db2.gz RAZWTDVFGQVSLO-AEFFLSMTSA-N 1 1 329.488 3.574 20 30 EHEDMO C=CC[C@H]1CCC[N@@H+](Cn2c3ccc(C(=O)C(C)C)cc3oc2=O)C1 ZINC000853537256 1136542196 /nfs/dbraw/zinc/54/21/96/1136542196.db2.gz SLARAQXFIRPZSN-HNNXBMFYSA-N 1 1 342.439 3.679 20 30 EHEDMO C=CC[C@H]1CCC[N@H+](Cn2c3ccc(C(=O)C(C)C)cc3oc2=O)C1 ZINC000853537256 1136542198 /nfs/dbraw/zinc/54/21/98/1136542198.db2.gz SLARAQXFIRPZSN-HNNXBMFYSA-N 1 1 342.439 3.679 20 30 EHEDMO N#CCc1ccc(COC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cc1 ZINC000815446042 1136596365 /nfs/dbraw/zinc/59/63/65/1136596365.db2.gz NLKJLBPVHUYQFE-IBGZPJMESA-N 1 1 326.440 3.593 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000776803259 1136688850 /nfs/dbraw/zinc/68/88/50/1136688850.db2.gz URDKRAGVVTYFAU-UHFFFAOYSA-N 1 1 345.487 3.849 20 30 EHEDMO CCCCCCCCC[N@@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856556068 1136794657 /nfs/dbraw/zinc/79/46/57/1136794657.db2.gz JCRLEEHUNWEQAG-RBUKOAKNSA-N 1 1 331.504 3.587 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000817371223 1136801336 /nfs/dbraw/zinc/80/13/36/1136801336.db2.gz SKETXMWMJDYOHJ-IBGZPJMESA-N 1 1 335.455 3.595 20 30 EHEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000818612411 1136885643 /nfs/dbraw/zinc/88/56/43/1136885643.db2.gz YQABMQOKCKDGFV-UHFFFAOYSA-N 1 1 340.854 3.692 20 30 EHEDMO C=C[C@@H](C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC001136201105 1136926388 /nfs/dbraw/zinc/92/63/88/1136926388.db2.gz VQEOPTZHTBFXQY-FCHUYYIVSA-N 1 1 348.490 3.909 20 30 EHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858011087 1136929211 /nfs/dbraw/zinc/92/92/11/1136929211.db2.gz QEEGGHBQIOYATI-FQEVSTJZSA-N 1 1 333.435 3.874 20 30 EHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858011087 1136929214 /nfs/dbraw/zinc/92/92/14/1136929214.db2.gz QEEGGHBQIOYATI-FQEVSTJZSA-N 1 1 333.435 3.874 20 30 EHEDMO CCCCCCCNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000858112507 1136941053 /nfs/dbraw/zinc/94/10/53/1136941053.db2.gz FDHGKMGYMVPVMK-UHFFFAOYSA-N 1 1 333.476 3.913 20 30 EHEDMO C=C[C@H]1C[C@]1(Nc1ccc([NH+]2CCCCC2)cc1C)C(=O)OCC ZINC001170926965 1136941956 /nfs/dbraw/zinc/94/19/56/1136941956.db2.gz GCXCGFKVGUSLNK-OXJNMPFZSA-N 1 1 328.456 3.905 20 30 EHEDMO C=CCC[C@@H]([NH2+]Cc1cn(C)nc1Br)c1ccccc1 ZINC000858154035 1136944698 /nfs/dbraw/zinc/94/46/98/1136944698.db2.gz WHCGHPMNBKMLLB-OAHLLOKOSA-N 1 1 334.261 3.980 20 30 EHEDMO CCOC[C@H]1CCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC001171026702 1137112312 /nfs/dbraw/zinc/11/23/12/1137112312.db2.gz UJZPCLALNVQVJX-QGZVFWFLSA-N 1 1 325.374 3.948 20 30 EHEDMO C[C@@H]1C[C@H](C[N@H+]2CCC[C@@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000824147194 1137126065 /nfs/dbraw/zinc/12/60/65/1137126065.db2.gz IDYBOBZVCPAHIO-MDZRGWNJSA-N 1 1 335.492 3.648 20 30 EHEDMO C#CCCOc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000862542440 1137149244 /nfs/dbraw/zinc/14/92/44/1137149244.db2.gz PCYLFUYQHDFYBU-UHFFFAOYSA-N 1 1 330.431 3.713 20 30 EHEDMO C#C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)c1ccc(Cl)cc1 ZINC000843890875 1137186801 /nfs/dbraw/zinc/18/68/01/1137186801.db2.gz FLFJVHUETQMGAI-CZUORRHYSA-N 1 1 329.831 3.541 20 30 EHEDMO C[N@@H+]1Cc2c(NC(=O)CCS)cccc2[C@H](c2ccccc2)C1 ZINC001143985310 1137221276 /nfs/dbraw/zinc/22/12/76/1137221276.db2.gz HOZQUWNONFXGRM-INIZCTEOSA-N 1 1 326.465 3.522 20 30 EHEDMO N#Cc1cncc(CN2CCC[C@H]([N@@H+](Cc3ccccc3)C3CC3)C2)c1 ZINC001144085217 1137237683 /nfs/dbraw/zinc/23/76/83/1137237683.db2.gz XUJLHLMOHZANAK-QFIPXVFZSA-N 1 1 346.478 3.582 20 30 EHEDMO C=C(C)CO[NH+]=Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000844614257 1137239549 /nfs/dbraw/zinc/23/95/49/1137239549.db2.gz DIEKYXZTBKXHFQ-UHFFFAOYSA-N 1 1 343.452 3.573 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000794707509 1137239623 /nfs/dbraw/zinc/23/96/23/1137239623.db2.gz UIMWXXUAWZBKTQ-GOSISDBHSA-N 1 1 337.471 3.841 20 30 EHEDMO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccc(C#N)cn3)C[C@@H]21 ZINC001144160561 1137246727 /nfs/dbraw/zinc/24/67/27/1137246727.db2.gz LPTZCGPRPLJXCJ-FKBYEOEOSA-N 1 1 346.478 3.564 20 30 EHEDMO C=CCn1c(C)nn(C[N@@H+]2CCc3ccccc3[C@@H](C)C2)c1=S ZINC000844743810 1137249072 /nfs/dbraw/zinc/24/90/72/1137249072.db2.gz ZVVSNPUYKBPRPC-AWEZNQCLSA-N 1 1 328.485 3.528 20 30 EHEDMO C=CCn1c(C)nn(C[N@H+]2CCc3ccccc3[C@@H](C)C2)c1=S ZINC000844743810 1137249073 /nfs/dbraw/zinc/24/90/73/1137249073.db2.gz ZVVSNPUYKBPRPC-AWEZNQCLSA-N 1 1 328.485 3.528 20 30 EHEDMO N#CCCCOc1cccc(C[NH2+]Cc2noc3ccc(F)cc23)c1 ZINC000865760314 1137309346 /nfs/dbraw/zinc/30/93/46/1137309346.db2.gz GHZQHUWRIAIBNX-UHFFFAOYSA-N 1 1 339.370 3.939 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)cc1 ZINC001144576966 1137311924 /nfs/dbraw/zinc/31/19/24/1137311924.db2.gz YGGBQZPBXWREPY-GOSISDBHSA-N 1 1 328.456 3.547 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)cc1 ZINC001144576929 1137311941 /nfs/dbraw/zinc/31/19/41/1137311941.db2.gz WJAALQNHBMLGIN-FHWLQOOXSA-N 1 1 325.452 3.610 20 30 EHEDMO C[N@H+](Cc1ccc(OCC2CC2)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC000846005658 1137324828 /nfs/dbraw/zinc/32/48/28/1137324828.db2.gz BACPGVPAFLIRCX-NRFANRHFSA-N 1 1 336.435 3.512 20 30 EHEDMO C[C@H](C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)c1cc(F)cc(F)c1 ZINC000846006608 1137325317 /nfs/dbraw/zinc/32/53/17/1137325317.db2.gz JYHSZLQMLFTYLQ-BFUOFWGJSA-N 1 1 330.378 3.605 20 30 EHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)[C@H]1CCNC(=O)OC(C)(C)C ZINC000846048340 1137330420 /nfs/dbraw/zinc/33/04/20/1137330420.db2.gz GIJGZRMZWTWMCW-PBHICJAKSA-N 1 1 347.459 3.667 20 30 EHEDMO C#CCCCCCC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000846102518 1137335471 /nfs/dbraw/zinc/33/54/71/1137335471.db2.gz TVOUNTYDXZBUQZ-SFHVURJKSA-N 1 1 346.540 3.921 20 30 EHEDMO Cc1noc(C[C@H]([NH2+][C@H](C)c2cccc(C#N)c2O)c2ccccc2)n1 ZINC000866346492 1137347754 /nfs/dbraw/zinc/34/77/54/1137347754.db2.gz AFSKZSGDOCYLSA-ACJLOTCBSA-N 1 1 348.406 3.590 20 30 EHEDMO CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171222979 1137347846 /nfs/dbraw/zinc/34/78/46/1137347846.db2.gz KWNWIJYKSWPQIW-INIZCTEOSA-N 1 1 345.487 3.724 20 30 EHEDMO Oc1ccc(Br)cc1/C=N\[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000846757397 1137363579 /nfs/dbraw/zinc/36/35/79/1137363579.db2.gz YNBKYVGTJTWJBG-NZRXSWGUSA-N 1 1 337.261 3.591 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)CCC2CCOCC2)c1O ZINC000121224904 1137376998 /nfs/dbraw/zinc/37/69/98/1137376998.db2.gz KFRQALFJQQNRFS-UHFFFAOYSA-N 1 1 333.472 3.768 20 30 EHEDMO Fc1cccnc1N=NC1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000794991038 1137398506 /nfs/dbraw/zinc/39/85/06/1137398506.db2.gz VUCPCQQTOCDXRC-IAGOWNOFSA-N 1 1 338.430 3.921 20 30 EHEDMO Cc1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc(C)c1C#N ZINC001148520416 1137426410 /nfs/dbraw/zinc/42/64/10/1137426410.db2.gz RIRSUJNICKKLET-FQEVSTJZSA-N 1 1 347.462 3.522 20 30 EHEDMO C[C@H]1CN(Cc2cc(Cl)ccc2OCC#N)CC[N@H+](C2CCC2)C1 ZINC000795122818 1137493373 /nfs/dbraw/zinc/49/33/73/1137493373.db2.gz AZNQFQBMUSEUCE-HNNXBMFYSA-N 1 1 347.890 3.549 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1CC1CCCC1 ZINC001171632103 1137499728 /nfs/dbraw/zinc/49/97/28/1137499728.db2.gz UWTYOCAZVDWHFO-SFHVURJKSA-N 1 1 328.456 3.990 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001171799755 1137513205 /nfs/dbraw/zinc/51/32/05/1137513205.db2.gz RNXXTOULWMSQQN-CRAIPNDOSA-N 1 1 325.456 3.787 20 30 EHEDMO CC(C)(C)OC(=O)C1CCC([N@H+]2CCc3cc(C#N)ccc3C2)CC1 ZINC001171922488 1137521131 /nfs/dbraw/zinc/52/11/31/1137521131.db2.gz ZBVDFWIGXJHTGS-UHFFFAOYSA-N 1 1 340.467 3.817 20 30 EHEDMO COC(=O)CC[N@@H+](Cc1ccccc1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172306172 1137545675 /nfs/dbraw/zinc/54/56/75/1137545675.db2.gz JAVJYLYPGLWRKL-KRWDZBQOSA-N 1 1 336.435 3.555 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001172311075 1137546251 /nfs/dbraw/zinc/54/62/51/1137546251.db2.gz OEYTYFQVMITMLG-CRAIPNDOSA-N 1 1 328.456 3.543 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)N1CC[N@H+](C2CCCCC2)[C@@H](C)C1 ZINC001172313670 1137546505 /nfs/dbraw/zinc/54/65/05/1137546505.db2.gz BZMIASBQWWRJNV-MSOLQXFVSA-N 1 1 325.500 3.828 20 30 EHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000872173075 1137575168 /nfs/dbraw/zinc/57/51/68/1137575168.db2.gz QCZCVIPMFRVTFS-NSHDSACASA-N 1 1 331.725 3.822 20 30 EHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@H](OC)c2ccccc2Cl)no1 ZINC000872178930 1137575461 /nfs/dbraw/zinc/57/54/61/1137575461.db2.gz WAFABHNSAVJUKA-VXGBXAGGSA-N 1 1 328.199 3.601 20 30 EHEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872281044 1137577608 /nfs/dbraw/zinc/57/76/08/1137577608.db2.gz PSIUFVIDVVMVIL-LJQANCHMSA-N 1 1 328.456 3.751 20 30 EHEDMO Cc1[nH+]ccn1CCCOC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000873455009 1137600234 /nfs/dbraw/zinc/60/02/34/1137600234.db2.gz QXKDLBUATIEMHR-UHFFFAOYSA-N 1 1 337.423 3.509 20 30 EHEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[NH+]1CCCC1 ZINC000874177852 1137611405 /nfs/dbraw/zinc/61/14/05/1137611405.db2.gz GMOCKZVEQFUMBO-UHFFFAOYSA-N 1 1 335.407 3.693 20 30 EHEDMO C=C(Br)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000125233654 1137627070 /nfs/dbraw/zinc/62/70/70/1137627070.db2.gz ZKSLHIKQEUEZTD-KBPBESRZSA-N 1 1 328.250 3.856 20 30 EHEDMO C=C(Br)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000125233654 1137627071 /nfs/dbraw/zinc/62/70/71/1137627071.db2.gz ZKSLHIKQEUEZTD-KBPBESRZSA-N 1 1 328.250 3.856 20 30 EHEDMO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc4nccnc4c3)C2)c1 ZINC001137090263 1137634061 /nfs/dbraw/zinc/63/40/61/1137634061.db2.gz ZBFNUEDSHMVHPE-IBGZPJMESA-N 1 1 344.418 3.545 20 30 EHEDMO C[C@@H](CCC#N)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000876636732 1137657682 /nfs/dbraw/zinc/65/76/82/1137657682.db2.gz LKAUZNXGXYSRHA-PMRDEQMMSA-N 1 1 335.492 3.789 20 30 EHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNCc1cc(C#N)cnc1Cl ZINC000877146269 1137671572 /nfs/dbraw/zinc/67/15/72/1137671572.db2.gz VOFJSKUZXZOWSN-UHFFFAOYSA-N 1 1 342.874 3.737 20 30 EHEDMO Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC001137119551 1137674779 /nfs/dbraw/zinc/67/47/79/1137674779.db2.gz VIFLKTMPFFLDQC-HXUWFJFHSA-N 1 1 336.435 3.941 20 30 EHEDMO C[N@@H+](Cc1ccccc1)C1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC001137119552 1137674830 /nfs/dbraw/zinc/67/48/30/1137674830.db2.gz VLMPQIVYQVXMOQ-UHFFFAOYSA-N 1 1 349.478 3.685 20 30 EHEDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877381478 1137675098 /nfs/dbraw/zinc/67/50/98/1137675098.db2.gz HAOYMPINGPOUHX-LLVKDONJSA-N 1 1 331.851 3.717 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccccc2CC(F)(F)F)n1 ZINC000877484324 1137678096 /nfs/dbraw/zinc/67/80/96/1137678096.db2.gz CICGVYGESASVIP-UHFFFAOYSA-N 1 1 335.373 3.643 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccccc2CC(F)(F)F)n1 ZINC000877484324 1137678097 /nfs/dbraw/zinc/67/80/97/1137678097.db2.gz CICGVYGESASVIP-UHFFFAOYSA-N 1 1 335.373 3.643 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)C(C)(C)C ZINC000877535031 1137680120 /nfs/dbraw/zinc/68/01/20/1137680120.db2.gz SDMXTEPMPDCLJU-CQSZACIVSA-N 1 1 349.475 3.572 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c1 ZINC000877539735 1137680284 /nfs/dbraw/zinc/68/02/84/1137680284.db2.gz PGHZLHFJNXIQER-LJQANCHMSA-N 1 1 339.826 3.576 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c1 ZINC000877539735 1137680285 /nfs/dbraw/zinc/68/02/85/1137680285.db2.gz PGHZLHFJNXIQER-LJQANCHMSA-N 1 1 339.826 3.576 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC000877659321 1137684493 /nfs/dbraw/zinc/68/44/93/1137684493.db2.gz OSNUMAHLHGRHCI-LZQZEXGQSA-N 1 1 335.492 3.505 20 30 EHEDMO C#CCCOc1ccc(C[N@H+](C)Cc2c(C)nn(CC)c2C)cc1 ZINC000877664269 1137684865 /nfs/dbraw/zinc/68/48/65/1137684865.db2.gz NBCKSWQXPCSNHM-UHFFFAOYSA-N 1 1 325.456 3.554 20 30 EHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cccc(OCCCC#N)c1 ZINC000877704125 1137686475 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ZINC000880009102 1137764982 /nfs/dbraw/zinc/76/49/82/1137764982.db2.gz ZQMMOMBUGHCFLC-AWEZNQCLSA-N 1 1 349.406 3.914 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cc(C)cs1)[C@@H]2CC ZINC001137154298 1137779182 /nfs/dbraw/zinc/77/91/82/1137779182.db2.gz BZKWNWJUFYSVGO-MJGOQNOKSA-N 1 1 332.513 3.978 20 30 EHEDMO C=C1CCC(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000888827356 1137783365 /nfs/dbraw/zinc/78/33/65/1137783365.db2.gz RJRGVSVZJJOPFJ-MRXNPFEDSA-N 1 1 328.456 3.765 20 30 EHEDMO C=CCC(C)(C)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000882396915 1137826316 /nfs/dbraw/zinc/82/63/16/1137826316.db2.gz NBJYREDGOODGSK-GOSISDBHSA-N 1 1 327.472 3.512 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000131073367 1137846065 /nfs/dbraw/zinc/84/60/65/1137846065.db2.gz AMKHDOBENZDRGW-LJQANCHMSA-N 1 1 335.455 3.737 20 30 EHEDMO C=CCCC[C@@H]([NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1ccccc1 ZINC000883241493 1137850114 /nfs/dbraw/zinc/85/01/14/1137850114.db2.gz ZZJRDYYMWJQHLF-GOSISDBHSA-N 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ZINC000112536067 1137908445 /nfs/dbraw/zinc/90/84/45/1137908445.db2.gz KCGAWUHEYOGASH-OLZOCXBDSA-N 1 1 325.334 3.722 20 30 EHEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118395358 1137933699 /nfs/dbraw/zinc/93/36/99/1137933699.db2.gz JHOATNCNAMENAS-BXWFABGCSA-N 1 1 327.472 3.636 20 30 EHEDMO Cc1ccccc1[C@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000332301349 1137938946 /nfs/dbraw/zinc/93/89/46/1137938946.db2.gz HUTTYOGKPHZRGN-MSOLQXFVSA-N 1 1 339.483 3.516 20 30 EHEDMO FC(F)(F)CCNN=C1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000884458452 1137960338 /nfs/dbraw/zinc/96/03/38/1137960338.db2.gz FIPBJBGQSSJHCL-HOCLYGCPSA-N 1 1 325.378 3.569 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1O ZINC000884483844 1137960997 /nfs/dbraw/zinc/96/09/97/1137960997.db2.gz ZXPVPAJMJCAAJR-APWZRJJASA-N 1 1 331.456 3.520 20 30 EHEDMO CCOc1ccc([C@H]2CCC[N@H+]2C[C@H](O)CC2(C#N)CCC2)cc1 ZINC000885933069 1138026202 /nfs/dbraw/zinc/02/62/02/1138026202.db2.gz IHKOAUVTXQIYTR-IEBWSBKVSA-N 1 1 328.456 3.667 20 30 EHEDMO CCCCCCCCC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000886322575 1138067385 /nfs/dbraw/zinc/06/73/85/1138067385.db2.gz JMLRZWOXXIAULM-IAGOWNOFSA-N 1 1 326.525 3.741 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000886359903 1138071085 /nfs/dbraw/zinc/07/10/85/1138071085.db2.gz LSPXSAHACXBMHQ-LLVKDONJSA-N 1 1 344.764 3.643 20 30 EHEDMO CSc1ccc(C[NH2+][C@H](C)c2cc3n(n2)CCCC3)cc1C#N ZINC000886690349 1138115903 /nfs/dbraw/zinc/11/59/03/1138115903.db2.gz UTLIZBMCAFLTLA-CYBMUJFWSA-N 1 1 326.469 3.664 20 30 EHEDMO C#CCCCCC[N@@H+]1CCn2c(Cc3ccccc3Cl)nnc2C1 ZINC000886703213 1138119167 /nfs/dbraw/zinc/11/91/67/1138119167.db2.gz PFIAFXDDKSLEQR-UHFFFAOYSA-N 1 1 342.874 3.532 20 30 EHEDMO C#CCCCCC[N@H+]1CCn2c(Cc3ccccc3Cl)nnc2C1 ZINC000886703213 1138119169 /nfs/dbraw/zinc/11/91/69/1138119169.db2.gz PFIAFXDDKSLEQR-UHFFFAOYSA-N 1 1 342.874 3.532 20 30 EHEDMO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)CC1 ZINC000886757776 1138133484 /nfs/dbraw/zinc/13/34/84/1138133484.db2.gz RBFKLIPAAUMLJP-IRXDYDNUSA-N 1 1 344.499 3.930 20 30 EHEDMO C=CCC1(O)CC[NH+]([C@H](C)c2nnc(-c3cccc(C)c3)o2)CC1 ZINC000886760085 1138133682 /nfs/dbraw/zinc/13/36/82/1138133682.db2.gz YOHNLNVBAUJVIK-OAHLLOKOSA-N 1 1 327.428 3.509 20 30 EHEDMO C=CCC1(O)CC[NH+](Cc2cc(-c3ccccc3Cl)on2)CC1 ZINC000886778865 1138139125 /nfs/dbraw/zinc/13/91/25/1138139125.db2.gz YNOLSOKLEMQYFI-UHFFFAOYSA-N 1 1 332.831 3.898 20 30 EHEDMO C[C@H]1C[C@@H](NC(=O)c2cccc(CC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000079709555 1138157901 /nfs/dbraw/zinc/15/79/01/1138157901.db2.gz XWBMDUCZZQEDNJ-UWJYYQICSA-N 1 1 347.462 3.536 20 30 EHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)[C@@H](C)CC#N)c1 ZINC000086283147 1138186249 /nfs/dbraw/zinc/18/62/49/1138186249.db2.gz DQVMUCRDEFFANA-HNNXBMFYSA-N 1 1 339.443 3.821 20 30 EHEDMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCC2(CCCC2)C1 ZINC000333505492 1138298138 /nfs/dbraw/zinc/29/81/38/1138298138.db2.gz DJOVIPXYKJMXMN-UHFFFAOYSA-N 1 1 343.496 3.897 20 30 EHEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCCC2(CCCC2)C1 ZINC000333505492 1138298139 /nfs/dbraw/zinc/29/81/39/1138298139.db2.gz DJOVIPXYKJMXMN-UHFFFAOYSA-N 1 1 343.496 3.897 20 30 EHEDMO C=CCC1(c2nc([C@@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)CCCCC1 ZINC000333886460 1138343475 /nfs/dbraw/zinc/34/34/75/1138343475.db2.gz XRXTZESLVTWEEV-MAUKXSAKSA-N 1 1 331.460 3.773 20 30 EHEDMO C=CCC1(c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)CCCCC1 ZINC000333886460 1138343479 /nfs/dbraw/zinc/34/34/79/1138343479.db2.gz XRXTZESLVTWEEV-MAUKXSAKSA-N 1 1 331.460 3.773 20 30 EHEDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000126963069 1138343574 /nfs/dbraw/zinc/34/35/74/1138343574.db2.gz FSZGKCDLMUOKFS-DYVFJYSZSA-N 1 1 337.448 3.894 20 30 EHEDMO CC(C)(C#N)CCC[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000127798944 1138371728 /nfs/dbraw/zinc/37/17/28/1138371728.db2.gz LUECLNLMLIRUDN-MRXNPFEDSA-N 1 1 338.398 3.991 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000127798944 1138371730 /nfs/dbraw/zinc/37/17/30/1138371730.db2.gz LUECLNLMLIRUDN-MRXNPFEDSA-N 1 1 338.398 3.991 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000128643914 1138395067 /nfs/dbraw/zinc/39/50/67/1138395067.db2.gz PLXACOIYQAIVHQ-XLIONFOSSA-N 1 1 347.462 3.650 20 30 EHEDMO C=CCC[C@H](O)C[N@H+](CCC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000129838716 1138424632 /nfs/dbraw/zinc/42/46/32/1138424632.db2.gz HLEZZVTWTRIZEN-AWEZNQCLSA-N 1 1 349.862 3.929 20 30 EHEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000131268345 1138505754 /nfs/dbraw/zinc/50/57/54/1138505754.db2.gz QHCXRCMAOGVUPR-HXUWFJFHSA-N 1 1 335.451 3.739 20 30 EHEDMO N#CCOc1ccc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000264529143 1138548800 /nfs/dbraw/zinc/54/88/00/1138548800.db2.gz CVFWTVDMFOGZTO-NRFANRHFSA-N 1 1 336.435 3.770 20 30 EHEDMO COc1cc(C)c(C[N@@H+](C)Cc2ccc(OCC#N)cc2)cc1OC ZINC000264587221 1138567890 /nfs/dbraw/zinc/56/78/90/1138567890.db2.gz XOTRXZPDUJWUSO-UHFFFAOYSA-N 1 1 340.423 3.547 20 30 EHEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000337444220 1138571234 /nfs/dbraw/zinc/57/12/34/1138571234.db2.gz KTZFFHDMCJFLCK-IAGOWNOFSA-N 1 1 335.451 3.771 20 30 EHEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000337444220 1138571235 /nfs/dbraw/zinc/57/12/35/1138571235.db2.gz KTZFFHDMCJFLCK-IAGOWNOFSA-N 1 1 335.451 3.771 20 30 EHEDMO CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]CC(C)(C)C#N)c21 ZINC000301809763 1138650665 /nfs/dbraw/zinc/65/06/65/1138650665.db2.gz LQBXSIQQQUJRSL-UHFFFAOYSA-N 1 1 329.444 3.624 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000338050709 1138734402 /nfs/dbraw/zinc/73/44/02/1138734402.db2.gz BECGIKSBYRMPPH-GOSISDBHSA-N 1 1 349.478 3.940 20 30 EHEDMO CC(=O)NCC[N@@H+](CCCCC(C)(C)C#N)Cc1ccc(C)s1 ZINC000338314972 1138830076 /nfs/dbraw/zinc/83/00/76/1138830076.db2.gz FFYBBQZHEUHMNZ-UHFFFAOYSA-N 1 1 335.517 3.715 20 30 EHEDMO C=CCCCCC[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000150884200 1138990027 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EHEDMO C=CCC1(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CCC1 ZINC000191300880 1140452238 /nfs/dbraw/zinc/45/22/38/1140452238.db2.gz GEAYXSAFDAORDP-INIZCTEOSA-N 1 1 328.456 3.765 20 30 EHEDMO C=C(C)C[NH+]1CCC(N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192839532 1140553186 /nfs/dbraw/zinc/55/31/86/1140553186.db2.gz AWANCFRXSKKULB-IBGZPJMESA-N 1 1 329.444 3.602 20 30 EHEDMO N#Cc1cnc2ccc(Cl)cc2c1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266461118 1140690920 /nfs/dbraw/zinc/69/09/20/1140690920.db2.gz YSWXHXVSLYJEBF-UHFFFAOYSA-N 1 1 337.814 3.867 20 30 EHEDMO N#CCOc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000266844620 1140728764 /nfs/dbraw/zinc/72/87/64/1140728764.db2.gz PPSHURLWVCVDRV-HXUWFJFHSA-N 1 1 349.434 3.582 20 30 EHEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000266917949 1140738383 /nfs/dbraw/zinc/73/83/83/1140738383.db2.gz HAXTWMHBNWQYDZ-ZBFHGGJFSA-N 1 1 339.464 3.511 20 30 EHEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000266917949 1140738389 /nfs/dbraw/zinc/73/83/89/1140738389.db2.gz HAXTWMHBNWQYDZ-ZBFHGGJFSA-N 1 1 339.464 3.511 20 30 EHEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000267829725 1140841027 /nfs/dbraw/zinc/84/10/27/1140841027.db2.gz QSSYPJHOMCURLR-HXUWFJFHSA-N 1 1 346.434 3.813 20 30 EHEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000267829725 1140841033 /nfs/dbraw/zinc/84/10/33/1140841033.db2.gz QSSYPJHOMCURLR-HXUWFJFHSA-N 1 1 346.434 3.813 20 30 EHEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1)CCC2 ZINC000268738356 1140979011 /nfs/dbraw/zinc/97/90/11/1140979011.db2.gz PEYUHGALRDLYEM-IAGOWNOFSA-N 1 1 341.480 3.620 20 30 EHEDMO C[N@H+]1CC[C@H](CNc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270707872 1141259651 /nfs/dbraw/zinc/25/96/51/1141259651.db2.gz KEBBWBPEQRRBSJ-KDOFPFPSSA-N 1 1 344.821 3.851 20 30 EHEDMO C[N@H+]1CC[C@@H](CNc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270707871 1141260290 /nfs/dbraw/zinc/26/02/90/1141260290.db2.gz KEBBWBPEQRRBSJ-KBXCAEBGSA-N 1 1 344.821 3.851 20 30 EHEDMO Cc1ccc(C)c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000029983706 202192147 /nfs/dbraw/zinc/19/21/47/202192147.db2.gz ZTXOXVHVUNLAHQ-UHFFFAOYSA-N 1 1 347.462 3.523 20 30 EHEDMO Cc1ccc(C)c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000029983706 202192151 /nfs/dbraw/zinc/19/21/51/202192151.db2.gz ZTXOXVHVUNLAHQ-UHFFFAOYSA-N 1 1 347.462 3.523 20 30 EHEDMO C=CC[NH+]1CCN(c2nnc(-c3ccc(C)cc3)c3ccccc32)CC1 ZINC001165032121 721870060 /nfs/dbraw/zinc/87/00/60/721870060.db2.gz IIERXLMJKJTCER-UHFFFAOYSA-N 1 1 344.462 3.913 20 30 EHEDMO C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000459412461 1032083503 /nfs/dbraw/zinc/08/35/03/1032083503.db2.gz VUSSKVVYYDKRIR-JMERFSKESA-N 1 1 337.379 3.509 20 30 EHEDMO CC(C)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1cccc(Cl)c1 ZINC000047958868 1014213385 /nfs/dbraw/zinc/21/33/85/1014213385.db2.gz MOSVVTCRZIJOFB-GOSISDBHSA-N 1 1 335.879 3.605 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000339377717 1014297055 /nfs/dbraw/zinc/29/70/55/1014297055.db2.gz OJCSOFHTLIPRFX-GDBMZVCRSA-N 1 1 337.398 3.514 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000339377717 1014297058 /nfs/dbraw/zinc/29/70/58/1014297058.db2.gz OJCSOFHTLIPRFX-GDBMZVCRSA-N 1 1 337.398 3.514 20 30 EHEDMO COc1ccc(OC)c(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000536669882 1032100630 /nfs/dbraw/zinc/10/06/30/1032100630.db2.gz DJIUHCCSFMAGKU-PMACEKPBSA-N 1 1 336.435 3.976 20 30 EHEDMO COc1ccc(OC)c(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000536669882 1032100635 /nfs/dbraw/zinc/10/06/35/1032100635.db2.gz DJIUHCCSFMAGKU-PMACEKPBSA-N 1 1 336.435 3.976 20 30 EHEDMO CCc1oc2ccccc2c1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430188404 1014680817 /nfs/dbraw/zinc/68/08/17/1014680817.db2.gz UFRXZWCORJDRJP-INIZCTEOSA-N 1 1 347.418 3.915 20 30 EHEDMO CCOC(=O)C(C)(C)C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000510079019 1014766391 /nfs/dbraw/zinc/76/63/91/1014766391.db2.gz NTBNWMQAHIIJFQ-UHFFFAOYSA-N 1 1 347.886 3.993 20 30 EHEDMO C[C@H]1C[C@@H](Nc2nc(Cl)c(C#N)s2)C[N@H+]1Cc1ccccc1 ZINC000306689364 1015430896 /nfs/dbraw/zinc/43/08/96/1015430896.db2.gz OAHIZYSHIYOEJF-WCQYABFASA-N 1 1 332.860 3.743 20 30 EHEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000339661072 1015482719 /nfs/dbraw/zinc/48/27/19/1015482719.db2.gz NZBWURQLGFBVRF-LJQANCHMSA-N 1 1 330.435 3.881 20 30 EHEDMO C[C@H]1C[C@H](CCNC(=O)c2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000510147983 1015779677 /nfs/dbraw/zinc/77/96/77/1015779677.db2.gz KNMDUIHRENAZPF-PXNSSMCTSA-N 1 1 347.462 3.589 20 30 EHEDMO C=CCCCC[C@@H](C)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000449051630 1032127495 /nfs/dbraw/zinc/12/74/95/1032127495.db2.gz VJBOPTCBBJVHCZ-APWZRJJASA-N 1 1 329.488 3.683 20 30 EHEDMO C#CCCC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[C@@H]1C(=O)OCC ZINC001209268125 1016045134 /nfs/dbraw/zinc/04/51/34/1016045134.db2.gz URJRBIJTCKRTSY-RBUKOAKNSA-N 1 1 331.431 3.773 20 30 EHEDMO C=CCCCCCCCC[N@@H+]1CCn2c(Cn3cccn3)cnc2C1 ZINC001209443880 1016304373 /nfs/dbraw/zinc/30/43/73/1016304373.db2.gz HGXQEHUZDDKMQK-UHFFFAOYSA-N 1 1 341.503 3.860 20 30 EHEDMO C=CCCCCCCCC[N@H+]1CCn2c(Cn3cccn3)cnc2C1 ZINC001209443880 1016304383 /nfs/dbraw/zinc/30/43/83/1016304383.db2.gz HGXQEHUZDDKMQK-UHFFFAOYSA-N 1 1 341.503 3.860 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000189230409 1016496998 /nfs/dbraw/zinc/49/69/98/1016496998.db2.gz RRYXXWAAYXAKBR-CYBMUJFWSA-N 1 1 327.815 3.843 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000189230409 1016497012 /nfs/dbraw/zinc/49/70/12/1016497012.db2.gz RRYXXWAAYXAKBR-CYBMUJFWSA-N 1 1 327.815 3.843 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2nc3cc(F)ccc3s2)no1 ZINC000904594445 1032148506 /nfs/dbraw/zinc/14/85/06/1032148506.db2.gz CBQCIHZIEBWKQX-NSHDSACASA-N 1 1 332.404 3.765 20 30 EHEDMO C=C(C)Cn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460952162 1032149235 /nfs/dbraw/zinc/14/92/35/1032149235.db2.gz AWIBQYUYCQTRHT-IAGOWNOFSA-N 1 1 347.551 3.609 20 30 EHEDMO Cc1nc([C@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)cs1 ZINC000189803897 1016723464 /nfs/dbraw/zinc/72/34/64/1016723464.db2.gz LRGQYEFMZSMANO-CQSZACIVSA-N 1 1 346.481 3.550 20 30 EHEDMO Cc1nc([C@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C#N)cs1 ZINC000189803897 1016723479 /nfs/dbraw/zinc/72/34/79/1016723479.db2.gz LRGQYEFMZSMANO-CQSZACIVSA-N 1 1 346.481 3.550 20 30 EHEDMO COc1ccc(CNC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000311516778 1016800139 /nfs/dbraw/zinc/80/01/39/1016800139.db2.gz OQIDHRRQWVLCBD-JOCHJYFZSA-N 1 1 349.478 3.569 20 30 EHEDMO COc1ccc(CNC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000311516778 1016800155 /nfs/dbraw/zinc/80/01/55/1016800155.db2.gz OQIDHRRQWVLCBD-JOCHJYFZSA-N 1 1 349.478 3.569 20 30 EHEDMO COc1ccc(C[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)cc1C#N ZINC000311516778 1016800167 /nfs/dbraw/zinc/80/01/67/1016800167.db2.gz OQIDHRRQWVLCBD-JOCHJYFZSA-N 1 1 349.478 3.569 20 30 EHEDMO N#Cc1cccc(C[NH2+]Cc2nc3cc(Br)ccc3o2)c1 ZINC000589820217 1016879753 /nfs/dbraw/zinc/87/97/53/1016879753.db2.gz GDJHAKJKBCYVKT-UHFFFAOYSA-N 1 1 342.196 3.752 20 30 EHEDMO N#CCOc1ccc(C[NH2+][C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000782994644 1017048748 /nfs/dbraw/zinc/04/87/48/1017048748.db2.gz OQHPQHKXMHTOCU-QFIPXVFZSA-N 1 1 349.478 3.906 20 30 EHEDMO C=C(C)Cn1c(CC2CCCCC2)nnc1N1CCC[N@H+](CC)CC1 ZINC000460957567 1032173131 /nfs/dbraw/zinc/17/31/31/1032173131.db2.gz LDRGCLDGUSPDHN-UHFFFAOYSA-N 1 1 345.535 3.509 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@@H](CCC)NC(=O)c2ccccc2)no1 ZINC000904671926 1032190334 /nfs/dbraw/zinc/19/03/34/1032190334.db2.gz BTJBNLKTKOHTNE-HZPDHXFCSA-N 1 1 342.443 3.697 20 30 EHEDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598588158 1033313567 /nfs/dbraw/zinc/31/35/67/1033313567.db2.gz ZANRFUFUGSPESI-WFASDCNBSA-N 1 1 328.378 3.999 20 30 EHEDMO C[C@H]1c2c(Cl)cc(Cl)cc2CC[N@H+]1C[C@H](O)CC1(C#N)CC1 ZINC000528401046 1032229178 /nfs/dbraw/zinc/22/91/78/1032229178.db2.gz UEGVCRJWFPEDRF-SMDDNHRTSA-N 1 1 339.266 3.967 20 30 EHEDMO C[C@H]1c2c(Cl)cc(Cl)cc2CC[N@@H+]1C[C@H](O)CC1(C#N)CC1 ZINC000528401046 1032229190 /nfs/dbraw/zinc/22/91/90/1032229190.db2.gz UEGVCRJWFPEDRF-SMDDNHRTSA-N 1 1 339.266 3.967 20 30 EHEDMO C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538364768 1032311149 /nfs/dbraw/zinc/31/11/49/1032311149.db2.gz JQCKJJVHYJAUGO-HKUYNNGSSA-N 1 1 329.488 3.647 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2cc(Cl)ccc2C#N)C1 ZINC000610281959 1032411884 /nfs/dbraw/zinc/41/18/84/1032411884.db2.gz KXISGVDEVKZFMW-GOSISDBHSA-N 1 1 325.843 3.922 20 30 EHEDMO CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000459699347 1032425637 /nfs/dbraw/zinc/42/56/37/1032425637.db2.gz CYNQRUKAJORIMK-HNNXBMFYSA-N 1 1 337.261 3.712 20 30 EHEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000459699347 1032425641 /nfs/dbraw/zinc/42/56/41/1032425641.db2.gz CYNQRUKAJORIMK-HNNXBMFYSA-N 1 1 337.261 3.712 20 30 EHEDMO C=C(C)C[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000185522556 1032439220 /nfs/dbraw/zinc/43/92/20/1032439220.db2.gz KHWAMLLBFIJDJI-OHSMVPPVSA-N 1 1 326.484 3.901 20 30 EHEDMO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccnn1C1CCCC1 ZINC000449331217 1032443037 /nfs/dbraw/zinc/44/30/37/1032443037.db2.gz XNIUVZGXXUUCSZ-UHFFFAOYSA-N 1 1 338.455 3.518 20 30 EHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccnn1C1CCCC1 ZINC000449331217 1032443044 /nfs/dbraw/zinc/44/30/44/1032443044.db2.gz XNIUVZGXXUUCSZ-UHFFFAOYSA-N 1 1 338.455 3.518 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H](CO)c1ccccc1 ZINC000449453366 1032570172 /nfs/dbraw/zinc/57/01/72/1032570172.db2.gz MORXIGVLFFUPSR-KRWDZBQOSA-N 1 1 334.341 3.742 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1OC ZINC000449457344 1032574423 /nfs/dbraw/zinc/57/44/23/1032574423.db2.gz USQUDNCZEKOYAM-OTWHNJEPSA-N 1 1 345.483 3.776 20 30 EHEDMO C[N@H+]1CC[C@H](CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000602083135 1032619542 /nfs/dbraw/zinc/61/95/42/1032619542.db2.gz VUNLGYJSMGWDAA-MRXNPFEDSA-N 1 1 335.407 3.631 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+]2CC[C@H](OC)C(C)(C)C2)ccc1OC ZINC000449502638 1032684325 /nfs/dbraw/zinc/68/43/25/1032684325.db2.gz RRILWOGLJMXLNQ-IBGZPJMESA-N 1 1 333.472 3.897 20 30 EHEDMO Cc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)n2c3ccccc3nc2c1C#N ZINC000610279836 1017540620 /nfs/dbraw/zinc/54/06/20/1017540620.db2.gz LVXAIDZASNQBMR-CABCVRRESA-N 1 1 333.439 3.562 20 30 EHEDMO C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)[C@@H]1c1cccs1 ZINC000176975471 1017547514 /nfs/dbraw/zinc/54/75/14/1017547514.db2.gz LTTCMBKOEGFOKA-CXAGYDPISA-N 1 1 331.510 3.854 20 30 EHEDMO C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)[C@@H]1c1cccs1 ZINC000176975471 1017547526 /nfs/dbraw/zinc/54/75/26/1017547526.db2.gz LTTCMBKOEGFOKA-CXAGYDPISA-N 1 1 331.510 3.854 20 30 EHEDMO C[N@@H+]1CCC[C@H](CNCc2ccc(C#N)s2)[C@@H]1c1cccs1 ZINC000176975471 1017547539 /nfs/dbraw/zinc/54/75/39/1017547539.db2.gz LTTCMBKOEGFOKA-CXAGYDPISA-N 1 1 331.510 3.854 20 30 EHEDMO C[N@H+]1CCC[C@H](CNCc2ccc(C#N)s2)[C@@H]1c1cccs1 ZINC000176975471 1017547552 /nfs/dbraw/zinc/54/75/52/1017547552.db2.gz LTTCMBKOEGFOKA-CXAGYDPISA-N 1 1 331.510 3.854 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2cnc(CC(F)(F)F)s2)c(F)c1 ZINC000892912810 1017700714 /nfs/dbraw/zinc/70/07/14/1017700714.db2.gz XMGWQBJKLFSMJB-UHFFFAOYSA-N 1 1 329.322 3.548 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)NCCc2ccc(C#N)cc2)cc1)C(C)C ZINC000597891084 1032724520 /nfs/dbraw/zinc/72/45/20/1032724520.db2.gz IKHPYHGBXWXMRR-UHFFFAOYSA-N 1 1 349.478 3.761 20 30 EHEDMO CCC[N@@H+](C)[C@H](CNC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000574183585 1032733396 /nfs/dbraw/zinc/73/33/96/1032733396.db2.gz LJBMSGSWYIWXAH-MRXNPFEDSA-N 1 1 335.879 3.779 20 30 EHEDMO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])C1(C)C ZINC000412066294 1017973086 /nfs/dbraw/zinc/97/30/86/1017973086.db2.gz GLQCJPSZGZXFGK-JKSUJKDBSA-N 1 1 331.416 3.538 20 30 EHEDMO CC(C)n1ncc2cc(C[NH2+]Cc3cccc(C#N)c3)c(Cl)nc21 ZINC000236771196 1018124445 /nfs/dbraw/zinc/12/44/45/1018124445.db2.gz IYKFVGSGUZEWIY-UHFFFAOYSA-N 1 1 339.830 3.827 20 30 EHEDMO CC[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(OC)cc1 ZINC000341046202 1018156085 /nfs/dbraw/zinc/15/60/85/1018156085.db2.gz ANLQVHMUKYDELT-GOSISDBHSA-N 1 1 348.406 3.858 20 30 EHEDMO C[C@@H](CCNCc1ccc(C#N)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000344613249 1018267160 /nfs/dbraw/zinc/26/71/60/1018267160.db2.gz XVFFSCZWBMQCCO-INIZCTEOSA-N 1 1 325.431 3.698 20 30 EHEDMO CCCCCCC[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC001167360994 1018715155 /nfs/dbraw/zinc/71/51/55/1018715155.db2.gz XIGWXTIIONWARM-UHFFFAOYSA-N 1 1 342.281 3.685 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)ccc1OC ZINC000449551490 1032780634 /nfs/dbraw/zinc/78/06/34/1032780634.db2.gz GOFOPRJDJNQPJS-CEXWTWQISA-N 1 1 345.483 3.633 20 30 EHEDMO COc1cccc([C@@H](C)N2CC[NH+](Cc3ccc(C#N)cc3C)CC2)c1 ZINC000614397228 1018960757 /nfs/dbraw/zinc/96/07/57/1018960757.db2.gz DUZGVQQRAWHHJA-GOSISDBHSA-N 1 1 349.478 3.754 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000614397656 1018964876 /nfs/dbraw/zinc/96/48/76/1018964876.db2.gz MMOGSLNRNUOBQB-UHFFFAOYSA-N 1 1 328.419 3.611 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000614397656 1018964887 /nfs/dbraw/zinc/96/48/87/1018964887.db2.gz MMOGSLNRNUOBQB-UHFFFAOYSA-N 1 1 328.419 3.611 20 30 EHEDMO CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000137111509 1019314902 /nfs/dbraw/zinc/31/49/02/1019314902.db2.gz WHNNIEWHDPZDQS-UHFFFAOYSA-N 1 1 327.815 3.672 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000137111509 1019314916 /nfs/dbraw/zinc/31/49/16/1019314916.db2.gz WHNNIEWHDPZDQS-UHFFFAOYSA-N 1 1 327.815 3.672 20 30 EHEDMO CCCCCCC[N@H+]1C[C@H]2C[C@@H](CC(=O)N(CC)C(C)C)O[C@H]2C1 ZINC001279867184 1019451369 /nfs/dbraw/zinc/45/13/69/1019451369.db2.gz XYBHKAPPOFIUJM-QYZOEREBSA-N 1 1 338.536 3.693 20 30 EHEDMO Cc1ccc(C[N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000182743230 1019740211 /nfs/dbraw/zinc/74/02/11/1019740211.db2.gz PAAIGSTUOYYXMF-SFHVURJKSA-N 1 1 339.464 3.556 20 30 EHEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](Cc4ccccc4)C3)n2c1 ZINC000513641701 1019888036 /nfs/dbraw/zinc/88/80/36/1019888036.db2.gz FXTQSEQKWSDJDF-SFHVURJKSA-N 1 1 330.435 3.661 20 30 EHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cnccc2C#N)c1 ZINC000345118879 1019975981 /nfs/dbraw/zinc/97/59/81/1019975981.db2.gz MMUBXDQOAJQICN-UHFFFAOYSA-N 1 1 345.406 3.574 20 30 EHEDMO CC[N@@H+](CCC1CCN(C(=O)c2cscc2C#N)CC1)CC(C)C ZINC000345296009 1020135726 /nfs/dbraw/zinc/13/57/26/1020135726.db2.gz HDUSICCJFIPCEA-UHFFFAOYSA-N 1 1 347.528 3.840 20 30 EHEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H](CC(N)=O)c1ccccc1 ZINC000280340624 1020320732 /nfs/dbraw/zinc/32/07/32/1020320732.db2.gz IJCTWVHGPDZBGH-IBGZPJMESA-N 1 1 335.451 3.536 20 30 EHEDMO C[C@H](CCC#N)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000602445001 1032891892 /nfs/dbraw/zinc/89/18/92/1032891892.db2.gz LGQJKKOGIUMRBC-VFVAKGGASA-N 1 1 327.255 3.823 20 30 EHEDMO CCC[N@@H+](CC(=O)N1CCCC[C@@H]1CC)Cc1ccc(C#N)cc1 ZINC000047739925 1020358778 /nfs/dbraw/zinc/35/87/78/1020358778.db2.gz GLVQLWIOVWCTGE-IBGZPJMESA-N 1 1 327.472 3.561 20 30 EHEDMO O=C1C=COC2(CC[NH+](Cc3cscc3C(F)(F)F)CC2)C1 ZINC000897599573 1032905903 /nfs/dbraw/zinc/90/59/03/1032905903.db2.gz QVEQPMFWZRBUCP-UHFFFAOYSA-N 1 1 331.359 3.605 20 30 EHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000602481921 1032911312 /nfs/dbraw/zinc/91/13/12/1032911312.db2.gz DBFKXHYDHOOGAF-CQSZACIVSA-N 1 1 338.480 3.668 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cccc(C#N)n2)cc1 ZINC000602514590 1032926183 /nfs/dbraw/zinc/92/61/83/1032926183.db2.gz LFTGFNVAXCRYLP-QGZVFWFLSA-N 1 1 334.467 3.617 20 30 EHEDMO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNCc2cccc(C#N)n2)cc1 ZINC000602514590 1032926198 /nfs/dbraw/zinc/92/61/98/1032926198.db2.gz LFTGFNVAXCRYLP-QGZVFWFLSA-N 1 1 334.467 3.617 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNCc2cccc(C#N)n2)cc1 ZINC000602514590 1032926201 /nfs/dbraw/zinc/92/62/01/1032926201.db2.gz LFTGFNVAXCRYLP-QGZVFWFLSA-N 1 1 334.467 3.617 20 30 EHEDMO C[C@@H](CC1(C#N)CCOCC1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000602505693 1032940037 /nfs/dbraw/zinc/94/00/37/1032940037.db2.gz AFYIOHFCCHGQRU-IBGZPJMESA-N 1 1 347.547 3.864 20 30 EHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ccc(Cl)c(C#N)n1 ZINC000610515902 1021172527 /nfs/dbraw/zinc/17/25/27/1021172527.db2.gz FXBSAUIURTUDOB-HNNXBMFYSA-N 1 1 340.858 3.707 20 30 EHEDMO CCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1scnc1C ZINC001270133946 1021280919 /nfs/dbraw/zinc/28/09/19/1021280919.db2.gz DNQXOKJUFBIKQO-CALCHBBNSA-N 1 1 349.544 3.987 20 30 EHEDMO CCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1scnc1C ZINC001270133946 1021280928 /nfs/dbraw/zinc/28/09/28/1021280928.db2.gz DNQXOKJUFBIKQO-CALCHBBNSA-N 1 1 349.544 3.987 20 30 EHEDMO C[N@@H+]1CCC[C@@H](Oc2c(F)c(F)c(C(F)(F)F)c(F)c2F)C1 ZINC001225870604 1021418914 /nfs/dbraw/zinc/41/89/14/1021418914.db2.gz ICYIKBSCRSRVNS-ZCFIWIBFSA-N 1 1 331.231 3.735 20 30 EHEDMO C[N@H+]1CCC[C@@H](Oc2c(F)c(F)c(C(F)(F)F)c(F)c2F)C1 ZINC001225870604 1021418924 /nfs/dbraw/zinc/41/89/24/1021418924.db2.gz ICYIKBSCRSRVNS-ZCFIWIBFSA-N 1 1 331.231 3.735 20 30 EHEDMO N#Cc1ccc(CN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c(Cl)c1 ZINC000439459277 1021446029 /nfs/dbraw/zinc/44/60/29/1021446029.db2.gz GFVQTZNTPNNUIG-HNNXBMFYSA-N 1 1 341.846 3.587 20 30 EHEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c(Cl)c1 ZINC000439445744 1021448306 /nfs/dbraw/zinc/44/83/06/1021448306.db2.gz WIFIVBOGQLKAFR-FQEVSTJZSA-N 1 1 340.854 3.985 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000337472237 1021598135 /nfs/dbraw/zinc/59/81/35/1021598135.db2.gz WRXAMJOKUZQBGN-SJORKVTESA-N 1 1 335.451 3.771 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000337472237 1021598145 /nfs/dbraw/zinc/59/81/45/1021598145.db2.gz WRXAMJOKUZQBGN-SJORKVTESA-N 1 1 335.451 3.771 20 30 EHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000518877987 1021646010 /nfs/dbraw/zinc/64/60/10/1021646010.db2.gz PMCNLRKJRHGLRA-HNNXBMFYSA-N 1 1 341.480 3.542 20 30 EHEDMO CCN(C(=O)C[NH+]1CCC(C)(C#N)CC1)c1cccc2ccccc21 ZINC000506012561 1021697407 /nfs/dbraw/zinc/69/74/07/1021697407.db2.gz LOZUETZJDBVOAO-UHFFFAOYSA-N 1 1 335.451 3.818 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000437536193 1021929667 /nfs/dbraw/zinc/92/96/67/1021929667.db2.gz IAESUIYCSPWOKX-UYAOXDASSA-N 1 1 328.475 3.764 20 30 EHEDMO COC(=O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](C)CCC#N ZINC000602624337 1033016660 /nfs/dbraw/zinc/01/66/60/1033016660.db2.gz MUTAZFNUJMNUOE-CYBMUJFWSA-N 1 1 342.361 3.620 20 30 EHEDMO COC(=O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](C)CCC#N ZINC000602624337 1033016677 /nfs/dbraw/zinc/01/66/77/1033016677.db2.gz MUTAZFNUJMNUOE-CYBMUJFWSA-N 1 1 342.361 3.620 20 30 EHEDMO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H](CC)c1ccccc1 ZINC000520172803 1021987556 /nfs/dbraw/zinc/98/75/56/1021987556.db2.gz ZXFBOCGMIDKDAZ-UYAOXDASSA-N 1 1 327.472 3.658 20 30 EHEDMO CC(C)(C#N)CC(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000341466647 1021999917 /nfs/dbraw/zinc/99/99/17/1021999917.db2.gz SHXPOTICQNZMJZ-UHFFFAOYSA-N 1 1 334.423 3.523 20 30 EHEDMO C[C@H](CC1(C#N)CCOCC1)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000602605621 1033021922 /nfs/dbraw/zinc/02/19/22/1033021922.db2.gz SPOQGGNAHFCXFZ-CQSZACIVSA-N 1 1 338.455 3.962 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCC2CC2)c1 ZINC000441224718 1022080863 /nfs/dbraw/zinc/08/08/63/1022080863.db2.gz LREJQWWRJCUIKK-QGZVFWFLSA-N 1 1 327.472 3.671 20 30 EHEDMO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000897628801 1033023744 /nfs/dbraw/zinc/02/37/44/1033023744.db2.gz MIVVJXCPSVHUBZ-CYBMUJFWSA-N 1 1 342.468 3.645 20 30 EHEDMO Cc1ccccc1[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)[C@H](C)CO1 ZINC000282075178 1033029599 /nfs/dbraw/zinc/02/95/99/1033029599.db2.gz TXIPGUMOBBVSFY-UYAOXDASSA-N 1 1 342.483 3.857 20 30 EHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000548299389 1022163471 /nfs/dbraw/zinc/16/34/71/1022163471.db2.gz PAXSEVJAJHFDSS-GASCZTMLSA-N 1 1 347.890 3.700 20 30 EHEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000441374675 1022194053 /nfs/dbraw/zinc/19/40/53/1022194053.db2.gz GEMRLYKCLRBEJE-WOJBJXKFSA-N 1 1 326.484 3.764 20 30 EHEDMO Cc1cc(C#N)cc(NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)n1 ZINC000341554024 1022296374 /nfs/dbraw/zinc/29/63/74/1022296374.db2.gz WOSWDJSFJJIGFI-QGZVFWFLSA-N 1 1 334.467 3.670 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncc(Br)cc1O ZINC000895018136 1022377266 /nfs/dbraw/zinc/37/72/66/1022377266.db2.gz KLNQLCBVMNZZIR-LLVKDONJSA-N 1 1 346.228 3.614 20 30 EHEDMO CC(C)[N@H+]1CCc2nc(CNc3cccc(CC#N)c3)sc2C1 ZINC000449696011 1033054599 /nfs/dbraw/zinc/05/45/99/1033054599.db2.gz JKKXXKVACIYBSC-UHFFFAOYSA-N 1 1 326.469 3.588 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCC2(C1)CCCCC2 ZINC000172938335 1033052741 /nfs/dbraw/zinc/05/27/41/1033052741.db2.gz IZPVCMAWAAGCSA-UHFFFAOYSA-N 1 1 335.455 3.739 20 30 EHEDMO C=CCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000520433095 1022460286 /nfs/dbraw/zinc/46/02/86/1022460286.db2.gz FRLSZMBDAHIYEM-LJQANCHMSA-N 1 1 341.499 3.647 20 30 EHEDMO O=C(Nc1cnn(Cc2ccccc2)c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000328749479 1022480769 /nfs/dbraw/zinc/48/07/69/1022480769.db2.gz BQCIVTRSQARFMK-LJQANCHMSA-N 1 1 338.455 3.926 20 30 EHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)C1 ZINC000328829544 1022506293 /nfs/dbraw/zinc/50/62/93/1022506293.db2.gz KEOBCXRVRMGKQK-UMVBOHGHSA-N 1 1 332.835 3.727 20 30 EHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)C1 ZINC000328829547 1022507126 /nfs/dbraw/zinc/50/71/26/1022507126.db2.gz KEOBCXRVRMGKQK-VNHYZAJKSA-N 1 1 332.835 3.727 20 30 EHEDMO C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCCC(=O)N2)C[N@H+]1Cc1ccccc1 ZINC000328840423 1022510932 /nfs/dbraw/zinc/51/09/32/1022510932.db2.gz ZCYLOIQAWMTHKF-BPQIPLTHSA-N 1 1 343.471 3.753 20 30 EHEDMO Cc1ccc([C@@H]2CCCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000124550328 1022521531 /nfs/dbraw/zinc/52/15/31/1022521531.db2.gz LHYCEPXAYBTRDZ-ICSRJNTNSA-N 1 1 327.472 3.577 20 30 EHEDMO Cc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000124550328 1022521549 /nfs/dbraw/zinc/52/15/49/1022521549.db2.gz LHYCEPXAYBTRDZ-ICSRJNTNSA-N 1 1 327.472 3.577 20 30 EHEDMO Cc1ccc(C[C@H](C)[N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000303767203 1022527224 /nfs/dbraw/zinc/52/72/24/1022527224.db2.gz PZKNGSZGLWUUQO-IBGZPJMESA-N 1 1 349.478 3.805 20 30 EHEDMO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CC[C@H](C#N)C1 ZINC000330434278 1022578900 /nfs/dbraw/zinc/57/89/00/1022578900.db2.gz PRGFNHRZRWKMFX-QWRGUYRKSA-N 1 1 326.227 3.556 20 30 EHEDMO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CC[C@H](C#N)C1 ZINC000330434278 1022578909 /nfs/dbraw/zinc/57/89/09/1022578909.db2.gz PRGFNHRZRWKMFX-QWRGUYRKSA-N 1 1 326.227 3.556 20 30 EHEDMO CC(C)c1nn(C)cc1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000330472365 1022586238 /nfs/dbraw/zinc/58/62/38/1022586238.db2.gz YJACBJNKIOESLJ-GASCZTMLSA-N 1 1 334.508 3.605 20 30 EHEDMO CC(C)CNC(=O)c1cccc(C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c1 ZINC000330714835 1022658118 /nfs/dbraw/zinc/65/81/18/1022658118.db2.gz SHLQATKCKZIXPF-RBUKOAKNSA-N 1 1 346.515 3.876 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000426025029 1022702658 /nfs/dbraw/zinc/70/26/58/1022702658.db2.gz YHFKXRJUERCPGP-JFIYKMOQSA-N 1 1 347.528 3.881 20 30 EHEDMO Cc1ccc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1C(=O)NC(C)C ZINC000330938256 1022711626 /nfs/dbraw/zinc/71/16/26/1022711626.db2.gz AAHOBCBOHSSMPC-GASCZTMLSA-N 1 1 331.460 3.519 20 30 EHEDMO Cc1ccccc1[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000441440000 1022812107 /nfs/dbraw/zinc/81/21/07/1022812107.db2.gz POOYVKKLFBHWNW-LAUBAEHRSA-N 1 1 336.435 3.708 20 30 EHEDMO Cc1ccccc1[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000441440000 1022812123 /nfs/dbraw/zinc/81/21/23/1022812123.db2.gz POOYVKKLFBHWNW-LAUBAEHRSA-N 1 1 336.435 3.708 20 30 EHEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000426144950 1022987330 /nfs/dbraw/zinc/98/73/30/1022987330.db2.gz XEPOIOQEPLKALT-CYBMUJFWSA-N 1 1 348.878 3.844 20 30 EHEDMO C=C(C)CCNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000458990985 1023015808 /nfs/dbraw/zinc/01/58/08/1023015808.db2.gz BXWZQVYXESPRQZ-UHFFFAOYSA-N 1 1 341.499 3.650 20 30 EHEDMO C[C@@H]1CCN(c2nc3c(cc2C#N)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000383095678 1023026126 /nfs/dbraw/zinc/02/61/26/1023026126.db2.gz ZSLHSUXJFFHRDV-QGZVFWFLSA-N 1 1 346.478 3.543 20 30 EHEDMO C=C(C)CCNC(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000459008126 1023083207 /nfs/dbraw/zinc/08/32/07/1023083207.db2.gz SWYYITCJPHQDFK-IEBWSBKVSA-N 1 1 329.488 3.820 20 30 EHEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc(Cl)c1OC ZINC000127388889 1023121315 /nfs/dbraw/zinc/12/13/15/1023121315.db2.gz PIBKXZSYEWBLCG-UHFFFAOYSA-N 1 1 330.815 3.861 20 30 EHEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000341714589 1023129185 /nfs/dbraw/zinc/12/91/85/1023129185.db2.gz QIQNUDCJQZDYBC-UHFFFAOYSA-N 1 1 329.469 3.955 20 30 EHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000341714589 1023129192 /nfs/dbraw/zinc/12/91/92/1023129192.db2.gz QIQNUDCJQZDYBC-UHFFFAOYSA-N 1 1 329.469 3.955 20 30 EHEDMO CC(C)CC[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610753035 1023446495 /nfs/dbraw/zinc/44/64/95/1023446495.db2.gz ZYLUUZRYVMQCRM-PMACEKPBSA-N 1 1 344.499 3.783 20 30 EHEDMO COc1cc(F)c([C@@H](C)[NH2+]Cc2cccc(C#N)c2F)cc1OC ZINC000341877401 1023510616 /nfs/dbraw/zinc/51/06/16/1023510616.db2.gz PBTRUDPCWZMRRV-LLVKDONJSA-N 1 1 332.350 3.704 20 30 EHEDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2cc(C#N)ccc2C(F)(F)F)C1 ZINC000127416765 1023586762 /nfs/dbraw/zinc/58/67/62/1023586762.db2.gz ZXQMTUDBWMZPSK-CQSZACIVSA-N 1 1 348.372 3.770 20 30 EHEDMO Cc1c([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)nnn1-c1ccc(F)cc1 ZINC000610830536 1023780090 /nfs/dbraw/zinc/78/00/90/1023780090.db2.gz ZKVIFNRDXFYYGJ-ZIAGYGMSSA-N 1 1 349.413 3.998 20 30 EHEDMO N#CCC1(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)CC1 ZINC000602788703 1033162249 /nfs/dbraw/zinc/16/22/49/1033162249.db2.gz SYRLYYPPMKFNCJ-HNNXBMFYSA-N 1 1 340.402 3.749 20 30 EHEDMO CCOc1cc(C[N@H+](C)Cc2ccnc(C#N)c2)ccc1OC(F)F ZINC000610992025 1023974902 /nfs/dbraw/zinc/97/49/02/1023974902.db2.gz PKCREWWXLGYVKV-UHFFFAOYSA-N 1 1 347.365 3.585 20 30 EHEDMO CCOc1cc(C[N@@H+](C)Cc2ccnc(C#N)c2)ccc1OC(F)F ZINC000610992025 1023974920 /nfs/dbraw/zinc/97/49/20/1023974920.db2.gz PKCREWWXLGYVKV-UHFFFAOYSA-N 1 1 347.365 3.585 20 30 EHEDMO C=C[C@H](C)NC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000443813700 1023981361 /nfs/dbraw/zinc/98/13/61/1023981361.db2.gz VSHRASPHHYDJGF-INIZCTEOSA-N 1 1 347.462 3.658 20 30 EHEDMO CC[C@](C)(O)C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000439253701 1024056585 /nfs/dbraw/zinc/05/65/85/1024056585.db2.gz BASCDDLTNCKDPN-NRFANRHFSA-N 1 1 338.451 3.600 20 30 EHEDMO CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000439260183 1024074732 /nfs/dbraw/zinc/07/47/32/1024074732.db2.gz PKAIPDIMMKZQOF-HXUWFJFHSA-N 1 1 326.415 3.861 20 30 EHEDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000439260183 1024074744 /nfs/dbraw/zinc/07/47/44/1024074744.db2.gz PKAIPDIMMKZQOF-HXUWFJFHSA-N 1 1 326.415 3.861 20 30 EHEDMO Cc1sc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)c(C#N)c1C ZINC000248420559 1024087153 /nfs/dbraw/zinc/08/71/53/1024087153.db2.gz LUMUQRNPFHWWLF-HZUKXOBISA-N 1 1 331.485 3.686 20 30 EHEDMO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000024250662 1033182337 /nfs/dbraw/zinc/18/23/37/1033182337.db2.gz CSLGIJVVSQFTJC-AWEZNQCLSA-N 1 1 349.425 3.642 20 30 EHEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000024250662 1033182341 /nfs/dbraw/zinc/18/23/41/1033182341.db2.gz CSLGIJVVSQFTJC-AWEZNQCLSA-N 1 1 349.425 3.642 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@]3(C)CCCOC3)c2)C[C@H](C)O1 ZINC000329713727 1024126847 /nfs/dbraw/zinc/12/68/47/1024126847.db2.gz RXKFATKAYKXSFU-GQIGUUNPSA-N 1 1 346.471 3.701 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@]3(C)CCCOC3)c2)C[C@H](C)O1 ZINC000329713727 1024126866 /nfs/dbraw/zinc/12/68/66/1024126866.db2.gz RXKFATKAYKXSFU-GQIGUUNPSA-N 1 1 346.471 3.701 20 30 EHEDMO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2C2CCCCC2)c(C#N)c1C ZINC000434604424 1024177824 /nfs/dbraw/zinc/17/78/24/1024177824.db2.gz BBTAXDDFGDKAHX-QGZVFWFLSA-N 1 1 329.444 3.751 20 30 EHEDMO O=C1C=COC2(CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C1 ZINC000896880451 1024244166 /nfs/dbraw/zinc/24/41/66/1024244166.db2.gz VKJHCOLCPJWGFE-UHFFFAOYSA-N 1 1 328.799 3.730 20 30 EHEDMO O=C(NC[C@H]1CCc2[nH+]ccn2C1)N1CCCC2(C1)CCCCCC2 ZINC000329944354 1024261483 /nfs/dbraw/zinc/26/14/83/1024261483.db2.gz IIQRMCJQPJWTBM-QGZVFWFLSA-N 1 1 344.503 3.796 20 30 EHEDMO N#Cc1cc(Cl)ccc1C[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000248556141 1024340319 /nfs/dbraw/zinc/34/03/19/1024340319.db2.gz KTTIJXLMNGVCDG-DLBZAZTESA-N 1 1 336.888 3.698 20 30 EHEDMO N#Cc1cc(Cl)ccc1C[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000248556141 1024340330 /nfs/dbraw/zinc/34/03/30/1024340330.db2.gz KTTIJXLMNGVCDG-DLBZAZTESA-N 1 1 336.888 3.698 20 30 EHEDMO C[NH+](C)Cc1ccc(NCc2ccc(C#N)o2)cc1Br ZINC000342188996 1024361822 /nfs/dbraw/zinc/36/18/22/1024361822.db2.gz UDIIZHLLPZQZQQ-UHFFFAOYSA-N 1 1 334.217 3.587 20 30 EHEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000434894879 1024487530 /nfs/dbraw/zinc/48/75/30/1024487530.db2.gz IDCSKSUEDPUIBA-JXFKEZNVSA-N 1 1 333.435 3.765 20 30 EHEDMO CC(C)C[N@@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1ccc(C#N)cc1 ZINC000346178093 1024492448 /nfs/dbraw/zinc/49/24/48/1024492448.db2.gz JJSITQBWMIOHGH-UHFFFAOYSA-N 1 1 349.438 3.605 20 30 EHEDMO C=CCOc1ccc(C[N@H+](CCc2cnn(C)c2)C(C)(C)C)cc1 ZINC000474169636 1024519093 /nfs/dbraw/zinc/51/90/93/1024519093.db2.gz NYMYGQAXNHNPIQ-UHFFFAOYSA-N 1 1 327.472 3.828 20 30 EHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000435049753 1024579165 /nfs/dbraw/zinc/57/91/65/1024579165.db2.gz PBVAVWFPKMVLFK-TZIWHRDSSA-N 1 1 348.446 3.727 20 30 EHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000435049753 1024579177 /nfs/dbraw/zinc/57/91/77/1024579177.db2.gz PBVAVWFPKMVLFK-TZIWHRDSSA-N 1 1 348.446 3.727 20 30 EHEDMO N#Cc1cc(Cl)ccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248566703 1024581445 /nfs/dbraw/zinc/58/14/45/1024581445.db2.gz PBUKDRVWJSIMHB-HNAYVOBHSA-N 1 1 329.875 3.660 20 30 EHEDMO C=C(C)COc1cc(CN(C)[C@H]2CC[N@H+](C(C)C)C2)ccc1OC ZINC000449785458 1033224533 /nfs/dbraw/zinc/22/45/33/1033224533.db2.gz GPZFTSMAGBEVMB-SFHVURJKSA-N 1 1 332.488 3.565 20 30 EHEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000281177768 1024707021 /nfs/dbraw/zinc/70/70/21/1024707021.db2.gz BPBAZZMGEBUNQH-WOJBJXKFSA-N 1 1 344.499 3.630 20 30 EHEDMO CC(C)([NH2+]Cc1ccc(C#N)cc1Cl)C(=O)NCC1CCCCC1 ZINC000439443129 1024767254 /nfs/dbraw/zinc/76/72/54/1024767254.db2.gz NHFPWCUUIIPWCT-UHFFFAOYSA-N 1 1 347.890 3.776 20 30 EHEDMO N#Cc1ccc(C2CC[NH+](Cc3cc(O)ccc3Cl)CC2)nc1 ZINC000602907720 1033238332 /nfs/dbraw/zinc/23/83/32/1033238332.db2.gz STIXLLSLLLKGJZ-UHFFFAOYSA-N 1 1 327.815 3.692 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000346537224 1024844823 /nfs/dbraw/zinc/84/48/23/1024844823.db2.gz CFEDSPGWRMPPTL-MRXNPFEDSA-N 1 1 328.481 3.783 20 30 EHEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000187754817 1024887623 /nfs/dbraw/zinc/88/76/23/1024887623.db2.gz HSJRJYNNDNCUMI-LJQANCHMSA-N 1 1 346.377 3.819 20 30 EHEDMO CCCC[C@H](CC)C[N@H+]1CCC2(C1)CCN(C(=O)CCS)CC2 ZINC001269952923 1024892898 /nfs/dbraw/zinc/89/28/98/1024892898.db2.gz ANHXHTHHGBJOKC-KRWDZBQOSA-N 1 1 340.577 3.837 20 30 EHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000514977323 1024939598 /nfs/dbraw/zinc/93/95/98/1024939598.db2.gz XHSVRWJEIMOXME-CTNGQTDRSA-N 1 1 337.463 3.774 20 30 EHEDMO CC1(C)CCCc2cc(C#N)c(NCCc3cn4c([nH+]3)CCCC4)nc21 ZINC000428098296 1024979417 /nfs/dbraw/zinc/97/94/17/1024979417.db2.gz IELKAKBKYJSVKA-UHFFFAOYSA-N 1 1 349.482 3.755 20 30 EHEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(F)(F)F ZINC001269977405 1024983167 /nfs/dbraw/zinc/98/31/67/1024983167.db2.gz LKQHNAFRLZWPRA-OKILXGFUSA-N 1 1 332.410 3.606 20 30 EHEDMO C=CC[C@H](CC)NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544365972 1025085311 /nfs/dbraw/zinc/08/53/11/1025085311.db2.gz SNAVXZVMDBHADC-UHOSZYNNSA-N 1 1 329.488 3.551 20 30 EHEDMO C[C@H]1CCN(Cc2cccc(F)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000428236833 1025101423 /nfs/dbraw/zinc/10/14/23/1025101423.db2.gz IVNOVMVSHJFYPT-KRWDZBQOSA-N 1 1 337.442 3.794 20 30 EHEDMO C=C(C(=O)N1CC2(CC[N@@H+]2C[C@@H](CC)CCCC)C1)C(F)(F)F ZINC001270008144 1025125985 /nfs/dbraw/zinc/12/59/85/1025125985.db2.gz MKCXTHJGVSADOO-AWEZNQCLSA-N 1 1 332.410 3.608 20 30 EHEDMO C[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ncc(-c2ccccc2)o1 ZINC000184865945 1025184528 /nfs/dbraw/zinc/18/45/28/1025184528.db2.gz RRRAJCMMPRZPLK-RDTXWAMCSA-N 1 1 333.391 3.597 20 30 EHEDMO CSC1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000602921744 1033266928 /nfs/dbraw/zinc/26/69/28/1033266928.db2.gz LJMNECIDKCWVAB-UHFFFAOYSA-N 1 1 341.480 3.565 20 30 EHEDMO CN(C)c1[nH+]cc(/C=C\C(=O)c2ccc(OC(C)(C)C)cc2)n1C ZINC000840719427 1025324642 /nfs/dbraw/zinc/32/46/42/1025324642.db2.gz FUKDGHLGJHNFIE-XFXZXTDPSA-N 1 1 327.428 3.560 20 30 EHEDMO N#Cc1ccc(OC2CC[NH+](Cc3ccc(F)nc3)CC2)cc1Cl ZINC001137741791 1025360162 /nfs/dbraw/zinc/36/01/62/1025360162.db2.gz YHCYPHCCAAIHJZ-UHFFFAOYSA-N 1 1 345.805 3.789 20 30 EHEDMO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000347002826 1025397759 /nfs/dbraw/zinc/39/77/59/1025397759.db2.gz DLAZQRGPAGIWNX-DZGCQCFKSA-N 1 1 349.272 3.569 20 30 EHEDMO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000347002826 1025397771 /nfs/dbraw/zinc/39/77/71/1025397771.db2.gz DLAZQRGPAGIWNX-DZGCQCFKSA-N 1 1 349.272 3.569 20 30 EHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000436129798 1025402649 /nfs/dbraw/zinc/40/26/49/1025402649.db2.gz WMOUIESYGNHGNF-IBGZPJMESA-N 1 1 347.462 3.842 20 30 EHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000436129799 1025402741 /nfs/dbraw/zinc/40/27/41/1025402741.db2.gz WMOUIESYGNHGNF-LJQANCHMSA-N 1 1 347.462 3.842 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000444092666 1025493508 /nfs/dbraw/zinc/49/35/08/1025493508.db2.gz FQKSCAWJOLKTFO-OAQYLSRUSA-N 1 1 347.462 3.984 20 30 EHEDMO COc1cc(C[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)ccc1C#N ZINC000442800636 1025494644 /nfs/dbraw/zinc/49/46/44/1025494644.db2.gz MODKTQSAQIRCRU-UHFFFAOYSA-N 1 1 348.446 3.970 20 30 EHEDMO C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518791 1033287086 /nfs/dbraw/zinc/28/70/86/1033287086.db2.gz FKXKUWRNZLKSJM-IRXDYDNUSA-N 1 1 347.462 3.746 20 30 EHEDMO C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046518791 1033287088 /nfs/dbraw/zinc/28/70/88/1033287088.db2.gz FKXKUWRNZLKSJM-IRXDYDNUSA-N 1 1 347.462 3.746 20 30 EHEDMO C=CCOc1ccc(C[N@H+](CC(=O)N(C)C(C)C)C(C)(C)C)cc1 ZINC000474819691 1025535882 /nfs/dbraw/zinc/53/58/82/1025535882.db2.gz ZFJPTTDNHLGMBJ-UHFFFAOYSA-N 1 1 332.488 3.719 20 30 EHEDMO C#Cc1cccc(N(CC)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000728480356 1025574262 /nfs/dbraw/zinc/57/42/62/1025574262.db2.gz POTAAGOBUNBJRJ-OAQYLSRUSA-N 1 1 346.474 3.933 20 30 EHEDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000451150188 1025601491 /nfs/dbraw/zinc/60/14/91/1025601491.db2.gz VOHFRZKPOMDBJG-SCRDCRAPSA-N 1 1 339.361 3.548 20 30 EHEDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000451150188 1025601499 /nfs/dbraw/zinc/60/14/99/1025601499.db2.gz VOHFRZKPOMDBJG-SCRDCRAPSA-N 1 1 339.361 3.548 20 30 EHEDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000451150187 1025602268 /nfs/dbraw/zinc/60/22/68/1025602268.db2.gz VOHFRZKPOMDBJG-OUCADQQQSA-N 1 1 339.361 3.548 20 30 EHEDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000451150187 1025602277 /nfs/dbraw/zinc/60/22/77/1025602277.db2.gz VOHFRZKPOMDBJG-OUCADQQQSA-N 1 1 339.361 3.548 20 30 EHEDMO Cc1ccccc1[C@H]([C@H](C)NCc1ccc(C#N)cc1F)[NH+](C)C ZINC000443002116 1025647721 /nfs/dbraw/zinc/64/77/21/1025647721.db2.gz RZCSZCIBKOEGPF-YWZLYKJASA-N 1 1 325.431 3.787 20 30 EHEDMO Cc1ccccc1CN(C)C(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425533495 1025661554 /nfs/dbraw/zinc/66/15/54/1025661554.db2.gz DWBMMXBKBJPHGQ-QGZVFWFLSA-N 1 1 335.451 3.518 20 30 EHEDMO Cc1ccccc1CN(C)C(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425533495 1025661559 /nfs/dbraw/zinc/66/15/59/1025661559.db2.gz DWBMMXBKBJPHGQ-QGZVFWFLSA-N 1 1 335.451 3.518 20 30 EHEDMO COc1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c([N+](=O)[O-])cc1F ZINC000425529156 1025665961 /nfs/dbraw/zinc/66/59/61/1025665961.db2.gz ARMGMSASBMGJOX-GFCCVEGCSA-N 1 1 343.358 3.807 20 30 EHEDMO COc1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c([N+](=O)[O-])cc1F ZINC000425529156 1025665972 /nfs/dbraw/zinc/66/59/72/1025665972.db2.gz ARMGMSASBMGJOX-GFCCVEGCSA-N 1 1 343.358 3.807 20 30 EHEDMO Cc1ccc(OC[C@H](O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000425540578 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3.614 20 30 EHEDMO COC[C@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CC1 ZINC000329441140 1025853391 /nfs/dbraw/zinc/85/33/91/1025853391.db2.gz KXYVSVMMIATTAP-WMZOPIPTSA-N 1 1 345.487 3.875 20 30 EHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911344 1025853985 /nfs/dbraw/zinc/85/39/85/1025853985.db2.gz ZZGRGTLVHADEDQ-ROUUACIJSA-N 1 1 347.245 3.955 20 30 EHEDMO COc1c(C)c[nH+]c(CN(C)Cc2ccc(C#N)cc2Cl)c1C ZINC000451379060 1025877635 /nfs/dbraw/zinc/87/76/35/1025877635.db2.gz UHYZHEWJMJODPF-UHFFFAOYSA-N 1 1 329.831 3.864 20 30 EHEDMO COc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000611587445 1025878213 /nfs/dbraw/zinc/87/82/13/1025878213.db2.gz BYMSDBFYGMJWPT-SJKOYZFVSA-N 1 1 326.371 3.880 20 30 EHEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000443324967 1025917350 /nfs/dbraw/zinc/91/73/50/1025917350.db2.gz ZHZUAPXPMYAGJD-JKIFEVAISA-N 1 1 325.374 3.538 20 30 EHEDMO O[C@@H]1CCC[C@H]1[C@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000451410165 1025941425 /nfs/dbraw/zinc/94/14/25/1025941425.db2.gz BNWNWJXPEDRALK-RCCFBDPRSA-N 1 1 337.385 3.682 20 30 EHEDMO C[C@@H](C[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000441494067 1026013624 /nfs/dbraw/zinc/01/36/24/1026013624.db2.gz ZCNXJZVXOILVEH-HNNXBMFYSA-N 1 1 332.407 3.844 20 30 EHEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000478347647 1026081717 /nfs/dbraw/zinc/08/17/17/1026081717.db2.gz XIPBGMDBKNYZQC-HNNXBMFYSA-N 1 1 345.512 3.736 20 30 EHEDMO CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3CCC(=O)[C@@H](C)C3)sc2C1 ZINC000329625343 1026100812 /nfs/dbraw/zinc/10/08/12/1026100812.db2.gz GKUBTFCEOGRKNF-RYUDHWBXSA-N 1 1 335.473 3.503 20 30 EHEDMO CC(C)[N@H+]1CCc2nc(NC(=O)[C@H]3CCC(=O)[C@@H](C)C3)sc2C1 ZINC000329625343 1026100815 /nfs/dbraw/zinc/10/08/15/1026100815.db2.gz GKUBTFCEOGRKNF-RYUDHWBXSA-N 1 1 335.473 3.503 20 30 EHEDMO CC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H](COC)Cc1ccccc1 ZINC000530627240 1026150664 /nfs/dbraw/zinc/15/06/64/1026150664.db2.gz MLRRVGGNKLHBDE-LJQANCHMSA-N 1 1 326.415 3.777 20 30 EHEDMO C=CCCC1(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCC1 ZINC000665590258 1026179498 /nfs/dbraw/zinc/17/94/98/1026179498.db2.gz VNSACYRUSRXSNI-JWTNVVGKSA-N 1 1 333.520 3.780 20 30 EHEDMO CC[N@@H+](CCCCC(C)(C)C#N)Cc1ccc(C(=O)N(C)C)cc1 ZINC000277672809 1026511072 /nfs/dbraw/zinc/51/10/72/1026511072.db2.gz JYLBSMPRYZHUID-UHFFFAOYSA-N 1 1 329.488 3.930 20 30 EHEDMO N#CCSCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159169913 1026512685 /nfs/dbraw/zinc/51/26/85/1026512685.db2.gz DEEXAXGBDXSLFF-PMACEKPBSA-N 1 1 343.540 3.620 20 30 EHEDMO N#CCSCCCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159169913 1026512690 /nfs/dbraw/zinc/51/26/90/1026512690.db2.gz DEEXAXGBDXSLFF-PMACEKPBSA-N 1 1 343.540 3.620 20 30 EHEDMO COC(=O)c1ccc(/C=C\C(=O)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000255513807 1026606642 /nfs/dbraw/zinc/60/66/42/1026606642.db2.gz XCBAGLWBQZCYPT-XGICHPGQSA-N 1 1 346.386 3.863 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc(OC)c1O ZINC000668630993 1026805518 /nfs/dbraw/zinc/80/55/18/1026805518.db2.gz MUGBWTDYSXADES-MOPGFXCFSA-N 1 1 345.483 3.910 20 30 EHEDMO C=CCC[N@H+](C)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000342724469 1026858083 /nfs/dbraw/zinc/85/80/83/1026858083.db2.gz CONPADRKLHUIGH-UHFFFAOYSA-N 1 1 340.389 3.704 20 30 EHEDMO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1cnc3ccc(C#N)cn13)[C@@H]2C ZINC000342777842 1027016306 /nfs/dbraw/zinc/01/63/06/1027016306.db2.gz MSKMEIWITHUINM-HUUCEWRRSA-N 1 1 346.434 3.722 20 30 EHEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1cnc3ccc(C#N)cn13)[C@@H]2C ZINC000342777842 1027016308 /nfs/dbraw/zinc/01/63/08/1027016308.db2.gz MSKMEIWITHUINM-HUUCEWRRSA-N 1 1 346.434 3.722 20 30 EHEDMO Cc1cc(C#N)cc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1 ZINC000342786383 1027040069 /nfs/dbraw/zinc/04/00/69/1027040069.db2.gz MDGQRRNVLGMAFS-JOCHJYFZSA-N 1 1 346.478 3.754 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000501207578 1027137679 /nfs/dbraw/zinc/13/76/79/1027137679.db2.gz HRTWXRFWDOTRFX-HXUWFJFHSA-N 1 1 335.451 3.970 20 30 EHEDMO C=CCC[C@@H](O)C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000126448222 1027205540 /nfs/dbraw/zinc/20/55/40/1027205540.db2.gz UBCSDACBCXQMER-HXUWFJFHSA-N 1 1 328.431 3.593 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1 ZINC000076153541 1027253622 /nfs/dbraw/zinc/25/36/22/1027253622.db2.gz JZXJMQNNYMRXGX-WOJBJXKFSA-N 1 1 333.435 3.787 20 30 EHEDMO C[C@@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)[N@H+]1CCCC[C@H]1C ZINC000501553797 1027363793 /nfs/dbraw/zinc/36/37/93/1027363793.db2.gz UJOZHPRXVMXEDI-CVEARBPZSA-N 1 1 342.487 3.872 20 30 EHEDMO CC[N@@H+](CCCCC#N)CCOc1ccc(Br)cc1 ZINC000129713773 1027594562 /nfs/dbraw/zinc/59/45/62/1027594562.db2.gz CFIJWXRLDOQGFI-UHFFFAOYSA-N 1 1 325.250 3.844 20 30 EHEDMO CCC[C@@H](NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000046527256 1027612739 /nfs/dbraw/zinc/61/27/39/1027612739.db2.gz SFRUYPBSMJOSPN-HXUWFJFHSA-N 1 1 335.451 3.648 20 30 EHEDMO CCC[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000046527256 1027612749 /nfs/dbraw/zinc/61/27/49/1027612749.db2.gz SFRUYPBSMJOSPN-HXUWFJFHSA-N 1 1 335.451 3.648 20 30 EHEDMO C[C@H](C#N)C[N@H+](C[C@@H](O)Cn1c2ccccc2c2ccccc21)C1CC1 ZINC000611091521 1027660186 /nfs/dbraw/zinc/66/01/86/1027660186.db2.gz QDKYOHRAVSFINH-SJLPKXTDSA-N 1 1 347.462 3.779 20 30 EHEDMO C[C@H](C#N)C[N@@H+](C[C@@H](O)Cn1c2ccccc2c2ccccc21)C1CC1 ZINC000611091521 1027660206 /nfs/dbraw/zinc/66/02/06/1027660206.db2.gz QDKYOHRAVSFINH-SJLPKXTDSA-N 1 1 347.462 3.779 20 30 EHEDMO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046529836 1027728519 /nfs/dbraw/zinc/72/85/19/1027728519.db2.gz KRKXYWUXANUWCB-IAGOWNOFSA-N 1 1 335.451 3.564 20 30 EHEDMO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046529836 1027728536 /nfs/dbraw/zinc/72/85/36/1027728536.db2.gz KRKXYWUXANUWCB-IAGOWNOFSA-N 1 1 335.451 3.564 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Cl)c(F)c1 ZINC000342869498 1027780405 /nfs/dbraw/zinc/78/04/05/1027780405.db2.gz ZBXZZFUJNWXGQE-UHFFFAOYSA-N 1 1 345.805 3.811 20 30 EHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cccc(CN2CCOCC2)c1 ZINC000420917810 1027863622 /nfs/dbraw/zinc/86/36/22/1027863622.db2.gz UIAVWCHXMHYPQE-UHFFFAOYSA-N 1 1 343.515 3.671 20 30 EHEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000533436127 1027875905 /nfs/dbraw/zinc/87/59/05/1027875905.db2.gz UTILTDPFIKZBGA-VQIMIIECSA-N 1 1 333.435 3.765 20 30 EHEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC1(CO)CC1 ZINC000193127769 1028018650 /nfs/dbraw/zinc/01/86/50/1028018650.db2.gz CXQGFDPRQYXZCO-UHFFFAOYSA-N 1 1 334.463 3.591 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421059504 1028065503 /nfs/dbraw/zinc/06/55/03/1028065503.db2.gz KHMADCQUAPBDFU-GJZGRUSLSA-N 1 1 346.500 3.639 20 30 EHEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1ccccc1F)c1ccc(F)c(F)c1 ZINC000187771089 1028086576 /nfs/dbraw/zinc/08/65/76/1028086576.db2.gz PDZSAACFXFOLNP-SFHVURJKSA-N 1 1 334.341 3.949 20 30 EHEDMO CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCCC[C@@H]1C ZINC000444679107 1028148148 /nfs/dbraw/zinc/14/81/48/1028148148.db2.gz UBNSDIFTPCTWCT-PKOBYXMFSA-N 1 1 327.472 3.834 20 30 EHEDMO C=CCCNC(=S)N1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001279936267 1028159780 /nfs/dbraw/zinc/15/97/80/1028159780.db2.gz JTIQOFSTNUYCGK-IBGZPJMESA-N 1 1 335.561 3.558 20 30 EHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000502469249 1028243328 /nfs/dbraw/zinc/24/33/28/1028243328.db2.gz OJVSDCMSNDLKAN-CQSZACIVSA-N 1 1 330.378 3.980 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000502469249 1028243342 /nfs/dbraw/zinc/24/33/42/1028243342.db2.gz OJVSDCMSNDLKAN-CQSZACIVSA-N 1 1 330.378 3.980 20 30 EHEDMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2ccc(OC)cc2OC)CCCC1(C)C ZINC000444783976 1028254532 /nfs/dbraw/zinc/25/45/32/1028254532.db2.gz MHDDWUUGTKSPFC-SFHVURJKSA-N 1 1 346.471 3.709 20 30 EHEDMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCCC1(C)C ZINC000444788547 1028289490 /nfs/dbraw/zinc/28/94/90/1028289490.db2.gz WMBXOLDJJVRWTF-INIZCTEOSA-N 1 1 345.443 3.908 20 30 EHEDMO CCOc1ccc(NC(=O)CC[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000137323383 1028308765 /nfs/dbraw/zinc/30/87/65/1028308765.db2.gz YICADYVZNJJGNG-UHFFFAOYSA-N 1 1 331.460 3.676 20 30 EHEDMO C=CC[N@H+](C)Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000428380836 1028327816 /nfs/dbraw/zinc/32/78/16/1028327816.db2.gz ZUTBRHLUJOOSCP-UHFFFAOYSA-N 1 1 334.261 3.869 20 30 EHEDMO CC(C)Oc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1 ZINC000536632232 1028340137 /nfs/dbraw/zinc/34/01/37/1028340137.db2.gz XOUCWCADYZJTBW-UHFFFAOYSA-N 1 1 335.451 3.668 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC000523448453 1028343721 /nfs/dbraw/zinc/34/37/21/1028343721.db2.gz YLGNPICEOOJEDD-PXNSSMCTSA-N 1 1 327.472 3.530 20 30 EHEDMO COc1cc(C#N)ccc1C[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000121511343 1028362507 /nfs/dbraw/zinc/36/25/07/1028362507.db2.gz VUQGZLAWBQHHBF-UHFFFAOYSA-N 1 1 344.842 3.605 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1cccc(Cl)c1 ZINC000021472331 1028648009 /nfs/dbraw/zinc/64/80/09/1028648009.db2.gz HPTORDCBLAZYHC-UHFFFAOYSA-N 1 1 333.844 3.734 20 30 EHEDMO C[C@H]1CCC[C@@](CNCc2cccc(OCCCC#N)c2)([NH+](C)C)C1 ZINC000237529608 1028652704 /nfs/dbraw/zinc/65/27/04/1028652704.db2.gz XQUKXCDQIZYPKG-GHTZIAJQSA-N 1 1 343.515 3.969 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cscc2C#N)CC1 ZINC000343013349 1028653050 /nfs/dbraw/zinc/65/30/50/1028653050.db2.gz YVNDZLZBRHEQMT-OAHLLOKOSA-N 1 1 345.512 3.736 20 30 EHEDMO C[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000268910771 1028748892 /nfs/dbraw/zinc/74/88/92/1028748892.db2.gz TYUINRZGFIZZLJ-JXFKEZNVSA-N 1 1 337.442 3.840 20 30 EHEDMO N#Cc1cccc(C[NH2+][C@@H]2COc3cc(F)c(Br)cc32)c1 ZINC000367068476 1028766966 /nfs/dbraw/zinc/76/69/66/1028766966.db2.gz XGIFSSVLDYDADK-OAHLLOKOSA-N 1 1 347.187 3.683 20 30 EHEDMO C=CCn1cc(C[NH2+][C@H]2C[C@@H](C)c3c2cccc3Br)nn1 ZINC000424290980 1028933588 /nfs/dbraw/zinc/93/35/88/1028933588.db2.gz CXXIQEQSUYBEJU-ABAIWWIYSA-N 1 1 347.260 3.565 20 30 EHEDMO C[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1)C(C)(C)C ZINC000532927865 1029052504 /nfs/dbraw/zinc/05/25/04/1029052504.db2.gz UVVKYPJSKHSTHF-CQSZACIVSA-N 1 1 335.879 3.953 20 30 EHEDMO CC[C@@H](C)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000532966037 1029112065 /nfs/dbraw/zinc/11/20/65/1029112065.db2.gz WBRSOKXVSOKXEH-CYBMUJFWSA-N 1 1 333.501 3.805 20 30 EHEDMO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000532982939 1029137481 /nfs/dbraw/zinc/13/74/81/1029137481.db2.gz SDJVOGIZTPDLBM-INIZCTEOSA-N 1 1 339.826 3.640 20 30 EHEDMO N#Cc1ccc(CN2CCC[N@H+]([C@H]3CCc4ccccc43)CC2)cc1 ZINC000614963495 1029155722 /nfs/dbraw/zinc/15/57/22/1029155722.db2.gz GITGJQJEDGQSKC-QFIPXVFZSA-N 1 1 331.463 3.753 20 30 EHEDMO C=CCCCNC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000448045112 1029165132 /nfs/dbraw/zinc/16/51/32/1029165132.db2.gz ZRXLGPOXJFUPDC-MJGOQNOKSA-N 1 1 329.488 3.553 20 30 EHEDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000929089352 1029485038 /nfs/dbraw/zinc/48/50/38/1029485038.db2.gz SYWIDHXYDAMIIN-MRXNPFEDSA-N 1 1 348.512 3.947 20 30 EHEDMO CCCC(=O)Nc1cccc(C[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000533312340 1029597484 /nfs/dbraw/zinc/59/74/84/1029597484.db2.gz YPPMKNJBAKNDAY-UHFFFAOYSA-N 1 1 325.387 3.726 20 30 EHEDMO CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000533299475 1029602894 /nfs/dbraw/zinc/60/28/94/1029602894.db2.gz CEPJEQXYYMNLOR-UONOGXRCSA-N 1 1 345.512 3.948 20 30 EHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000533301975 1029604683 /nfs/dbraw/zinc/60/46/83/1029604683.db2.gz UTUUOSPEPUFVND-LBPRGKRZSA-N 1 1 325.250 3.674 20 30 EHEDMO COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1OC ZINC000192157302 1029608080 /nfs/dbraw/zinc/60/80/80/1029608080.db2.gz IRMCDZXFKNZYRU-LLVKDONJSA-N 1 1 332.350 3.704 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026324737 1029644453 /nfs/dbraw/zinc/64/44/53/1029644453.db2.gz PSMLAUWPMSAJQH-LBPRGKRZSA-N 1 1 345.805 3.810 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026324737 1029644459 /nfs/dbraw/zinc/64/44/59/1029644459.db2.gz PSMLAUWPMSAJQH-LBPRGKRZSA-N 1 1 345.805 3.810 20 30 EHEDMO CC(C)c1ccc2ncc(C#N)c(N3CC[C@@H](c4[nH+]ccn4C)C3)c2c1 ZINC000583361945 1029713506 /nfs/dbraw/zinc/71/35/06/1029713506.db2.gz WHGIPRSBIVKPCT-MRXNPFEDSA-N 1 1 345.450 3.957 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[NH+]1CCN(Cc2ccsc2)CC1 ZINC000536021834 1029824765 /nfs/dbraw/zinc/82/47/65/1029824765.db2.gz VQSDQYZMYRXSTK-UHFFFAOYSA-N 1 1 339.508 3.867 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+]2CCC[C@@]2(CO)CCC)ccc1OC ZINC000446894133 1029843515 /nfs/dbraw/zinc/84/35/15/1029843515.db2.gz XVQQYFVVVVDJHN-HXUWFJFHSA-N 1 1 333.472 3.777 20 30 EHEDMO CC[C@H](C[N@@H+](CC)CC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000481734497 1029892995 /nfs/dbraw/zinc/89/29/95/1029892995.db2.gz KTYWGLGGOCVCMO-GOSISDBHSA-N 1 1 341.499 3.845 20 30 EHEDMO C=CC[NH+]1CCC(N[C@H](C)c2sccc2Br)CC1 ZINC000531974818 1030186134 /nfs/dbraw/zinc/18/61/34/1030186134.db2.gz MBWQVJKYSKBLOK-LLVKDONJSA-N 1 1 329.307 3.812 20 30 EHEDMO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)C(=O)Nc1ccccc1C#N ZINC000159454408 1030203300 /nfs/dbraw/zinc/20/33/00/1030203300.db2.gz GAPXFRBYADZNNT-VXGBXAGGSA-N 1 1 329.350 3.514 20 30 EHEDMO CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)CC(=O)NC1(C#N)CCC1 ZINC000525885925 1030205273 /nfs/dbraw/zinc/20/52/73/1030205273.db2.gz NFDORGFMIFNUNN-IBGZPJMESA-N 1 1 341.499 3.672 20 30 EHEDMO C=CCCC1(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000476565624 1030224507 /nfs/dbraw/zinc/22/45/07/1030224507.db2.gz MKERJXBHMPFYJT-PKOBYXMFSA-N 1 1 326.484 3.760 20 30 EHEDMO O[C@H](C[C@@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1)c1ccco1 ZINC000245942711 1030311825 /nfs/dbraw/zinc/31/18/25/1030311825.db2.gz MSPNBYSROAQUNG-ZWKOTPCHSA-N 1 1 329.827 3.873 20 30 EHEDMO CC[C@H](Nc1ccc(N2CCOCC2)[nH+]c1C)c1ccc(C#N)cc1 ZINC000447598710 1030336814 /nfs/dbraw/zinc/33/68/14/1030336814.db2.gz HUUBTHBNKAYTAN-SFHVURJKSA-N 1 1 336.439 3.662 20 30 EHEDMO C=CC[N@H+](C)CCN(CC)Cc1coc(-c2c(F)cccc2F)n1 ZINC000429725635 1030383616 /nfs/dbraw/zinc/38/36/16/1030383616.db2.gz ZBJGSGBPBJWMIN-UHFFFAOYSA-N 1 1 335.398 3.560 20 30 EHEDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cccc(OCCCC#N)c1 ZINC000453616878 1030404829 /nfs/dbraw/zinc/40/48/29/1030404829.db2.gz HGMXTSSWLXDHGQ-UHFFFAOYSA-N 1 1 340.471 3.761 20 30 EHEDMO Cc1c[nH+]ccc1OC1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000447679619 1030413697 /nfs/dbraw/zinc/41/36/97/1030413697.db2.gz LEMXCVCDYZUACQ-UHFFFAOYSA-N 1 1 327.815 3.963 20 30 EHEDMO CC(C)[N@@H+](CCCOc1cccc(C#N)c1)CCc1nccs1 ZINC000159901809 1030438140 /nfs/dbraw/zinc/43/81/40/1030438140.db2.gz ZEWJFBUJAQZYER-UHFFFAOYSA-N 1 1 329.469 3.737 20 30 EHEDMO C=CC[N@H+](Cc1cn(C)nc1-c1cccnc1)Cc1cccc(C#N)c1 ZINC000092504351 1030471801 /nfs/dbraw/zinc/47/18/01/1030471801.db2.gz PBIRRCUQQUHPFP-UHFFFAOYSA-N 1 1 343.434 3.542 20 30 EHEDMO COc1cc(O)c(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000159999878 1030487165 /nfs/dbraw/zinc/48/71/65/1030487165.db2.gz FQUJZLPXNHKEMX-UHFFFAOYSA-N 1 1 340.423 3.692 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000526941860 1030511722 /nfs/dbraw/zinc/51/17/22/1030511722.db2.gz MMBOSTMITSIWRT-SMTIMMHKSA-N 1 1 331.463 3.950 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000526941860 1030511737 /nfs/dbraw/zinc/51/17/37/1030511737.db2.gz MMBOSTMITSIWRT-SMTIMMHKSA-N 1 1 331.463 3.950 20 30 EHEDMO C=CC[NH+]1CCC(N[C@@H](COC)c2cccc(C(F)(F)F)c2)CC1 ZINC000482649742 1030607241 /nfs/dbraw/zinc/60/72/41/1030607241.db2.gz IEZQZMQPWHOPNV-KRWDZBQOSA-N 1 1 342.405 3.633 20 30 EHEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000115556176 1030883363 /nfs/dbraw/zinc/88/33/63/1030883363.db2.gz RFPOVMNHNCVWQF-QUCCMNQESA-N 1 1 347.462 3.811 20 30 EHEDMO Cc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000476771697 1030930877 /nfs/dbraw/zinc/93/08/77/1030930877.db2.gz ZLNVDENZLOTQPV-APWZRJJASA-N 1 1 348.450 3.824 20 30 EHEDMO CC(C)(C)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000483229872 1031057619 /nfs/dbraw/zinc/05/76/19/1031057619.db2.gz FDQFBYLDKCDYET-HNNXBMFYSA-N 1 1 345.512 3.999 20 30 EHEDMO C=C[C@@H](CC(=O)N1CCC(C[N@H+](C)C(C)C)CC1)c1ccccc1 ZINC000536162057 1031117703 /nfs/dbraw/zinc/11/77/03/1031117703.db2.gz YWZDXZLAKJAVNI-IBGZPJMESA-N 1 1 328.500 3.925 20 30 EHEDMO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H](C)C(C)C ZINC000343520800 1031223749 /nfs/dbraw/zinc/22/37/49/1031223749.db2.gz HUVHNSLTNOZKPD-HNNXBMFYSA-N 1 1 335.879 3.953 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000174815038 1031257824 /nfs/dbraw/zinc/25/78/24/1031257824.db2.gz PMIYMYOXGLZCGM-INIZCTEOSA-N 1 1 329.492 3.514 20 30 EHEDMO CCN(Cc1ccc(C#N)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483694233 1031291354 /nfs/dbraw/zinc/29/13/54/1031291354.db2.gz QNTYRNAKBJBEMJ-FQEVSTJZSA-N 1 1 337.442 3.794 20 30 EHEDMO CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000483694233 1031291363 /nfs/dbraw/zinc/29/13/63/1031291363.db2.gz QNTYRNAKBJBEMJ-FQEVSTJZSA-N 1 1 337.442 3.794 20 30 EHEDMO CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000483694233 1031291371 /nfs/dbraw/zinc/29/13/71/1031291371.db2.gz QNTYRNAKBJBEMJ-FQEVSTJZSA-N 1 1 337.442 3.794 20 30 EHEDMO C[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)C[C@H](c2ccccc2)O1 ZINC000477153058 1031291663 /nfs/dbraw/zinc/29/16/63/1031291663.db2.gz SUVSRADOURSRMA-LAUBAEHRSA-N 1 1 336.435 3.789 20 30 EHEDMO C[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)C[C@H](c2ccccc2)O1 ZINC000477153058 1031291676 /nfs/dbraw/zinc/29/16/76/1031291676.db2.gz SUVSRADOURSRMA-LAUBAEHRSA-N 1 1 336.435 3.789 20 30 EHEDMO CC1(C)C[N@@H+](CCOc2cccc(C#N)c2)CC[C@@H]1C(F)(F)F ZINC000484336279 1031540586 /nfs/dbraw/zinc/54/05/86/1031540586.db2.gz GNCQNMWAVLVZAT-HNNXBMFYSA-N 1 1 326.362 3.847 20 30 EHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCCC2(C)C)c1C#N ZINC000477544510 1031655698 /nfs/dbraw/zinc/65/56/98/1031655698.db2.gz VYHYUAMJXHGHRD-UHFFFAOYSA-N 1 1 342.487 3.905 20 30 EHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803453 1031697584 /nfs/dbraw/zinc/69/75/84/1031697584.db2.gz OTFJGNMJOFDSON-CQSZACIVSA-N 1 1 331.466 3.847 20 30 EHEDMO C=C(CNC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000484640711 1031808860 /nfs/dbraw/zinc/80/88/60/1031808860.db2.gz HINZQNPYPWFFOL-RXVVDRJESA-N 1 1 349.478 3.835 20 30 EHEDMO C=CCC[C@H](O)C[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000484639355 1031809521 /nfs/dbraw/zinc/80/95/21/1031809521.db2.gz FVVBSFDNLHYJBO-ZDUSSCGKSA-N 1 1 332.669 3.861 20 30 EHEDMO C=CCOc1cccc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)c1 ZINC000180791559 1031909935 /nfs/dbraw/zinc/90/99/35/1031909935.db2.gz LKTPKKYTMVENEJ-UHFFFAOYSA-N 1 1 339.361 3.636 20 30 EHEDMO C=CCOc1cccc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)c1 ZINC000180791559 1031909945 /nfs/dbraw/zinc/90/99/45/1031909945.db2.gz LKTPKKYTMVENEJ-UHFFFAOYSA-N 1 1 339.361 3.636 20 30 EHEDMO CC[N@H+]1CC[C@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000343713441 1032041758 /nfs/dbraw/zinc/04/17/58/1032041758.db2.gz RAPHJWSJDJDWFG-LSDHHAIUSA-N 1 1 346.500 3.544 20 30 EHEDMO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000195131856 1032045868 /nfs/dbraw/zinc/04/58/68/1032045868.db2.gz KUPMIQJIWXWPGZ-UYAOXDASSA-N 1 1 349.478 3.762 20 30 EHEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)CCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000594337339 1033308249 /nfs/dbraw/zinc/30/82/49/1033308249.db2.gz BUICIFOMMCTPAW-HKUYNNGSSA-N 1 1 349.425 3.689 20 30 EHEDMO CC(C)[N@H+]1CC[C@H](NC(=O)CCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000594337339 1033308264 /nfs/dbraw/zinc/30/82/64/1033308264.db2.gz BUICIFOMMCTPAW-HKUYNNGSSA-N 1 1 349.425 3.689 20 30 EHEDMO N#Cc1ccc(OC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000158016056 1033315536 /nfs/dbraw/zinc/31/55/36/1033315536.db2.gz ASQWRJDSFABCLA-KRWDZBQOSA-N 1 1 338.382 3.515 20 30 EHEDMO CCC[N@@H+](CCc1cccs1)Cc1cccc(C(=O)OC)c1C#N ZINC000545216518 1033384081 /nfs/dbraw/zinc/38/40/81/1033384081.db2.gz QUWHRLAEAOZLHQ-UHFFFAOYSA-N 1 1 342.464 3.861 20 30 EHEDMO CCC[N@H+](CC(=O)Nc1ccc(C)c(F)c1)Cc1ccc(C#N)cc1 ZINC000061001931 1033411571 /nfs/dbraw/zinc/41/15/71/1033411571.db2.gz HSRSTLXPLNOLRT-UHFFFAOYSA-N 1 1 339.414 3.857 20 30 EHEDMO CCC[N@@H+](CC(=O)Nc1ccc(C)c(F)c1)Cc1ccc(C#N)cc1 ZINC000061001931 1033411580 /nfs/dbraw/zinc/41/15/80/1033411580.db2.gz HSRSTLXPLNOLRT-UHFFFAOYSA-N 1 1 339.414 3.857 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)n1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1 ZINC000603228060 1033451991 /nfs/dbraw/zinc/45/19/91/1033451991.db2.gz OVDINAAZRJNECM-YCRPNKLZSA-N 1 1 343.434 3.536 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)n1cc(C[NH2+][C@H]2CCc3ccccc32)nn1 ZINC000603228059 1033452043 /nfs/dbraw/zinc/45/20/43/1033452043.db2.gz OVDINAAZRJNECM-VFNWGFHPSA-N 1 1 343.434 3.536 20 30 EHEDMO C[C@@H](CSc1ccccc1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000593645647 1033574170 /nfs/dbraw/zinc/57/41/70/1033574170.db2.gz ZPWAYBHSTICCIG-HNNXBMFYSA-N 1 1 336.464 3.819 20 30 EHEDMO C=C(C)COc1cc(CN[C@@H]2CC[N@H+](C3CCCC3)C2)ccc1OC ZINC000106474105 1033583122 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3.656 20 30 EHEDMO CC[C@@H](C)C[N@@H+](CC)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279373594 1044011089 /nfs/dbraw/zinc/01/10/89/1044011089.db2.gz JITDJWMCZVZQPK-MRXNPFEDSA-N 1 1 325.460 3.727 20 30 EHEDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279380446 1044014851 /nfs/dbraw/zinc/01/48/51/1044014851.db2.gz KBAUINBSGQTQQL-APWZRJJASA-N 1 1 337.471 3.869 20 30 EHEDMO C=CCCCNC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279574828 1044247018 /nfs/dbraw/zinc/24/70/18/1044247018.db2.gz OUUHRLJRDRQJBF-LJQANCHMSA-N 1 1 329.488 3.506 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@@](C)(C#N)CCSC)cc1)C(C)C ZINC000344686174 1044291320 /nfs/dbraw/zinc/29/13/20/1044291320.db2.gz WTUKUMMKVRJTFD-LJQANCHMSA-N 1 1 347.528 3.682 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C(F)F)C2)c(Br)c1 ZINC001137638156 1135538697 /nfs/dbraw/zinc/53/86/97/1135538697.db2.gz TXCCQQDUXAZJPL-LBPRGKRZSA-N 1 1 329.188 3.798 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](C(F)F)C2)c(Br)c1 ZINC001137638156 1135538701 /nfs/dbraw/zinc/53/87/01/1135538701.db2.gz TXCCQQDUXAZJPL-LBPRGKRZSA-N 1 1 329.188 3.798 20 30 EHEDMO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CC[C@@H](C)[C@H]2CC)c1=S ZINC000184989414 1126729415 /nfs/dbraw/zinc/72/94/15/1126729415.db2.gz YPZAGHITVUPEEG-GDBMZVCRSA-N 1 1 343.500 3.740 20 30 EHEDMO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CC[C@@H](C)[C@H]2CC)c1=S ZINC000184989414 1126729420 /nfs/dbraw/zinc/72/94/20/1126729420.db2.gz YPZAGHITVUPEEG-GDBMZVCRSA-N 1 1 343.500 3.740 20 30 EHEDMO C[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000325057540 1126930411 /nfs/dbraw/zinc/93/04/11/1126930411.db2.gz VWZICRLRSCBREC-GOEBONIOSA-N 1 1 344.842 3.644 20 30 EHEDMO COc1c(Br)cc(C)cc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001238326928 1126991318 /nfs/dbraw/zinc/99/13/18/1126991318.db2.gz ZEDVLZQFTMGWGG-ZDUSSCGKSA-N 1 1 337.261 3.892 20 30 EHEDMO COc1c(Br)cc(C)cc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001238326928 1126991322 /nfs/dbraw/zinc/99/13/22/1126991322.db2.gz ZEDVLZQFTMGWGG-ZDUSSCGKSA-N 1 1 337.261 3.892 20 30 EHEDMO C[C@H](C#N)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000183838652 1127388455 /nfs/dbraw/zinc/38/84/55/1127388455.db2.gz LLVGAAKRTSNLQV-QGZVFWFLSA-N 1 1 330.435 3.848 20 30 EHEDMO CC[N@@H+](CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168558374 1127785275 /nfs/dbraw/zinc/78/52/75/1127785275.db2.gz JIJAIRQAUZZKGI-QWHCGFSZSA-N 1 1 349.397 3.552 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000265583927 1127793390 /nfs/dbraw/zinc/79/33/90/1127793390.db2.gz JMRCZCMIAXWFDR-INIZCTEOSA-N 1 1 335.451 3.947 20 30 EHEDMO C=CCn1c([C@H](C)CC)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC000508893646 1128419755 /nfs/dbraw/zinc/41/97/55/1128419755.db2.gz IAHUPQLVSLKQTI-QGZVFWFLSA-N 1 1 347.551 3.926 20 30 EHEDMO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](c3cccc(C)c3)C2)c(C#N)c1C ZINC000273072657 1128439289 /nfs/dbraw/zinc/43/92/89/1128439289.db2.gz JSEGFTRUFVQCEP-QGZVFWFLSA-N 1 1 337.423 3.505 20 30 EHEDMO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](c3cccc(C)c3)C2)c(C#N)c1C ZINC000273072657 1128439292 /nfs/dbraw/zinc/43/92/92/1128439292.db2.gz JSEGFTRUFVQCEP-QGZVFWFLSA-N 1 1 337.423 3.505 20 30 EHEDMO Cc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000054425543 1128475176 /nfs/dbraw/zinc/47/51/76/1128475176.db2.gz YGTAQZRCAFKCRP-UHFFFAOYSA-N 1 1 331.803 3.574 20 30 EHEDMO N#Cc1ccc(Cl)cc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000301272988 1128581460 /nfs/dbraw/zinc/58/14/60/1128581460.db2.gz KXBRXAHGWTVUJX-UHFFFAOYSA-N 1 1 325.843 3.924 20 30 EHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000301299854 1128582611 /nfs/dbraw/zinc/58/26/11/1128582611.db2.gz QMDXMEUJLLZHQG-BETUJISGSA-N 1 1 340.393 3.752 20 30 EHEDMO CC[N@@H+]1CC[C@@H](Nc2ncccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301985431 1128614531 /nfs/dbraw/zinc/61/45/31/1128614531.db2.gz LREWXJVKCLMIOF-SJORKVTESA-N 1 1 344.821 3.993 20 30 EHEDMO CC[N@H+]1CC[C@@H](Nc2ncccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301985431 1128614534 /nfs/dbraw/zinc/61/45/34/1128614534.db2.gz LREWXJVKCLMIOF-SJORKVTESA-N 1 1 344.821 3.993 20 30 EHEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)c(C#N)n1 ZINC000301434546 1128591095 /nfs/dbraw/zinc/59/10/95/1128591095.db2.gz JXCXAQYEJIBUGW-INIZCTEOSA-N 1 1 340.858 3.565 20 30 EHEDMO C[N@@H+]1CC[C@H](Nc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301847506 1128608125 /nfs/dbraw/zinc/60/81/25/1128608125.db2.gz NLJOUJQCILVLBB-RDJZCZTQSA-N 1 1 330.794 3.603 20 30 EHEDMO C[N@H+]1CC[C@H](Nc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301847506 1128608128 /nfs/dbraw/zinc/60/81/28/1128608128.db2.gz NLJOUJQCILVLBB-RDJZCZTQSA-N 1 1 330.794 3.603 20 30 EHEDMO C[N@H+]1CC[C@@H](Nc2ccc(Cl)c(C#N)n2)[C@@H]1c1ccc(F)cc1 ZINC000301876654 1128609654 /nfs/dbraw/zinc/60/96/54/1128609654.db2.gz YLYPQWCPHLUFGW-PBHICJAKSA-N 1 1 330.794 3.603 20 30 EHEDMO CCCC[N@@H+](C)CC1CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000301873798 1128609909 /nfs/dbraw/zinc/60/99/09/1128609909.db2.gz HYUOAEDDSHQSQC-UHFFFAOYSA-N 1 1 340.515 3.780 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ncc(C#N)cc1Cl ZINC000302184085 1128624636 /nfs/dbraw/zinc/62/46/36/1128624636.db2.gz SGIFSELYVKKBCE-DYVFJYSZSA-N 1 1 326.831 3.539 20 30 EHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000302191266 1128625777 /nfs/dbraw/zinc/62/57/77/1128625777.db2.gz YZNLIDZOQZPDTG-GASCZTMLSA-N 1 1 330.432 3.636 20 30 EHEDMO N#Cc1cccc(OCC[N@@H+]2CCCn3c(cc4ccccc43)C2)c1 ZINC000554308012 1128637845 /nfs/dbraw/zinc/63/78/45/1128637845.db2.gz HQNNKUMGZYKODN-UHFFFAOYSA-N 1 1 331.419 3.798 20 30 EHEDMO N#Cc1cccc(OCC[N@H+]2CCCn3c(cc4ccccc43)C2)c1 ZINC000554308012 1128637847 /nfs/dbraw/zinc/63/78/47/1128637847.db2.gz HQNNKUMGZYKODN-UHFFFAOYSA-N 1 1 331.419 3.798 20 30 EHEDMO Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1C#N ZINC000302666785 1128640548 /nfs/dbraw/zinc/64/05/48/1128640548.db2.gz QFRJJPBYCRJEJP-YQQQUEKLSA-N 1 1 332.451 3.869 20 30 EHEDMO C[N@@H+]1CC[C@H](Nc2ccc(C#N)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302827345 1128650045 /nfs/dbraw/zinc/65/00/45/1128650045.db2.gz NMWDJIQXQHGEAB-IRXDYDNUSA-N 1 1 330.794 3.603 20 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CC1(C)CN(C(=O)Nc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000609199305 1120554047 /nfs/dbraw/zinc/55/40/47/1120554047.db2.gz FOPLYXUVCJFRKN-UHFFFAOYSA-N 1 1 348.450 3.687 20 30 EHEDMO C[NH+](C)[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000195306075 1120776461 /nfs/dbraw/zinc/77/64/61/1120776461.db2.gz DYNBXZCUDMBKDU-LJQANCHMSA-N 1 1 337.423 3.611 20 30 EHEDMO CC1(C)CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000112703045 1128944998 /nfs/dbraw/zinc/94/49/98/1128944998.db2.gz LJXMWESMJBJSII-UHFFFAOYSA-N 1 1 331.485 3.559 20 30 EHEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC(C#N)CC2)c1 ZINC000194843995 1120865436 /nfs/dbraw/zinc/86/54/36/1120865436.db2.gz GVHQMKQVTGCEFB-UHFFFAOYSA-N 1 1 347.462 3.694 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](CC(C)(C)CCC#N)C2)C1 ZINC000495736111 1121390312 /nfs/dbraw/zinc/39/03/12/1121390312.db2.gz FVNJJWKJVHCHEJ-LJQANCHMSA-N 1 1 335.492 3.649 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2Cc2cc(C#N)cs2)C1 ZINC000495951511 1121579206 /nfs/dbraw/zinc/57/92/06/1121579206.db2.gz QOYHTYSNZJXWEV-GOSISDBHSA-N 1 1 347.484 3.595 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2Cc2cc(C#N)cs2)C1 ZINC000495951511 1121579209 /nfs/dbraw/zinc/57/92/09/1121579209.db2.gz QOYHTYSNZJXWEV-GOSISDBHSA-N 1 1 347.484 3.595 20 30 EHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(C/N=C/c3cccc(O)c3O)cc2)C1 ZINC000915980101 1122005337 /nfs/dbraw/zinc/00/53/37/1122005337.db2.gz NMNCSVQCNMJHCQ-QPNANDPSSA-N 1 1 338.451 3.949 20 30 EHEDMO CC(=[NH+]Nc1cccc(C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000916256097 1122104566 /nfs/dbraw/zinc/10/45/66/1122104566.db2.gz LGARAXXJXRZXQZ-UHFFFAOYSA-N 1 1 327.403 3.807 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000496563264 1122119995 /nfs/dbraw/zinc/11/99/95/1122119995.db2.gz GXZNZBIQFGLTCP-DNVCBOLYSA-N 1 1 335.407 3.576 20 30 EHEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000496766675 1122179785 /nfs/dbraw/zinc/17/97/85/1122179785.db2.gz MXLCYCDWKSHHNL-BBRMVZONSA-N 1 1 347.434 3.575 20 30 EHEDMO COc1ccccc1[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763402877 1122227805 /nfs/dbraw/zinc/22/78/05/1122227805.db2.gz KUOPSWJCJZVXMS-WOJBJXKFSA-N 1 1 336.435 3.827 20 30 EHEDMO Cc1ccc(C[C@H]2CCC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000763409993 1122230138 /nfs/dbraw/zinc/23/01/38/1122230138.db2.gz WHQXXFOVQAFHPY-IRLDBZIGSA-N 1 1 334.463 3.855 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)c1 ZINC000499579038 1129040831 /nfs/dbraw/zinc/04/08/31/1129040831.db2.gz LTEKTASJTPTHBY-HZPDHXFCSA-N 1 1 331.460 3.588 20 30 EHEDMO C=CCn1c(Cc2ccccc2)nnc1SCc1[nH]c(C)[nH+]c1C ZINC000916675074 1122249463 /nfs/dbraw/zinc/24/94/63/1122249463.db2.gz YIJLOTRXPCVUPW-UHFFFAOYSA-N 1 1 339.468 3.687 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCC[N@H+]2CC2(C#N)CCC2)C1 ZINC000497036724 1122252621 /nfs/dbraw/zinc/25/26/21/1122252621.db2.gz IEHCXZQEXXHBID-IRXDYDNUSA-N 1 1 347.503 3.792 20 30 EHEDMO CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]CC3(C#N)CCC3)c21 ZINC000497195118 1122361730 /nfs/dbraw/zinc/36/17/30/1122361730.db2.gz HEZBDMSDCDTACZ-UHFFFAOYSA-N 1 1 341.455 3.768 20 30 EHEDMO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000130481807 1122368092 /nfs/dbraw/zinc/36/80/92/1122368092.db2.gz NDHKRMIPYPYWFT-FQEVSTJZSA-N 1 1 347.462 3.716 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCC[N@H+]2CC2(C#N)CC2)C1 ZINC000497283231 1122434466 /nfs/dbraw/zinc/43/44/66/1122434466.db2.gz NHVPHJNXCLKKPC-DLBZAZTESA-N 1 1 347.503 3.792 20 30 EHEDMO CC[N@@H+](CC(=O)NCCc1ccccc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497617187 1122611095 /nfs/dbraw/zinc/61/10/95/1122611095.db2.gz BVPQYXWMJDWXDY-SFHVURJKSA-N 1 1 349.478 3.609 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000917472251 1122615601 /nfs/dbraw/zinc/61/56/01/1122615601.db2.gz HSIWSNOKQBVTPP-MSOLQXFVSA-N 1 1 343.496 3.915 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000917472251 1122615606 /nfs/dbraw/zinc/61/56/06/1122615606.db2.gz HSIWSNOKQBVTPP-MSOLQXFVSA-N 1 1 343.496 3.915 20 30 EHEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1=S ZINC000917616427 1122649283 /nfs/dbraw/zinc/64/92/83/1122649283.db2.gz LMDDMFGJUWPJJF-QGZVFWFLSA-N 1 1 346.475 3.712 20 30 EHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1=S ZINC000917616427 1122649284 /nfs/dbraw/zinc/64/92/84/1122649284.db2.gz LMDDMFGJUWPJJF-QGZVFWFLSA-N 1 1 346.475 3.712 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1c2cc(C)ccc2oc1=O ZINC000917615552 1122653755 /nfs/dbraw/zinc/65/37/55/1122653755.db2.gz LRAKPYIYGPURBX-UHFFFAOYSA-N 1 1 335.407 3.644 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cn1c2cc(C)ccc2oc1=O ZINC000917615552 1122653759 /nfs/dbraw/zinc/65/37/59/1122653759.db2.gz LRAKPYIYGPURBX-UHFFFAOYSA-N 1 1 335.407 3.644 20 30 EHEDMO CN(CCC#N)c1ccc(C=[NH+]NCc2ccccc2Cl)cc1 ZINC000918152223 1122767660 /nfs/dbraw/zinc/76/76/60/1122767660.db2.gz AEWXLMWRWCEHGE-UHFFFAOYSA-N 1 1 326.831 3.814 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000615227785 1122861260 /nfs/dbraw/zinc/86/12/60/1122861260.db2.gz QDHBFCMEZCCAAZ-IBGZPJMESA-N 1 1 339.870 3.918 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)ccc1OC ZINC000130060655 1122875780 /nfs/dbraw/zinc/87/57/80/1122875780.db2.gz DPPHSCIMNDHYNB-KRWDZBQOSA-N 1 1 331.456 3.651 20 30 EHEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(OCc2cccnc2)cc1 ZINC000133593274 1123406020 /nfs/dbraw/zinc/40/60/20/1123406020.db2.gz GUUHTYCHXPJRAJ-SJORKVTESA-N 1 1 334.423 3.755 20 30 EHEDMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000609385113 1123567829 /nfs/dbraw/zinc/56/78/29/1123567829.db2.gz PEOXAHXZEFMGCD-HUUCEWRRSA-N 1 1 333.501 3.853 20 30 EHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H](O)COc1ccccc1C ZINC000615353013 1123784488 /nfs/dbraw/zinc/78/44/88/1123784488.db2.gz UWGLXINAQJTOGJ-GOSISDBHSA-N 1 1 329.415 3.562 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)COc1ccccc1C ZINC000615353013 1123784492 /nfs/dbraw/zinc/78/44/92/1123784492.db2.gz UWGLXINAQJTOGJ-GOSISDBHSA-N 1 1 329.415 3.562 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000615442827 1123800427 /nfs/dbraw/zinc/80/04/27/1123800427.db2.gz SPNHFAKSHWSUKK-IIBYNOLFSA-N 1 1 348.425 3.641 20 30 EHEDMO CCCCCCC[C@H](C)CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000734660584 1131265800 /nfs/dbraw/zinc/26/58/00/1131265800.db2.gz DASWDJVVYAFTTA-ZWKOTPCHSA-N 1 1 325.541 3.966 20 30 EHEDMO C=C[C@](C)(CC)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000248989763 1124725206 /nfs/dbraw/zinc/72/52/06/1124725206.db2.gz WXZXSYZGCGQRJS-XGHQBKJUSA-N 1 1 344.499 3.514 20 30 EHEDMO C=CC[C@@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C1 ZINC000617778606 1124769146 /nfs/dbraw/zinc/76/91/46/1124769146.db2.gz KOKOIJPTSUFBRJ-OAHLLOKOSA-N 1 1 337.467 3.584 20 30 EHEDMO C=CC[C@@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C1 ZINC000617778606 1124769153 /nfs/dbraw/zinc/76/91/53/1124769153.db2.gz KOKOIJPTSUFBRJ-OAHLLOKOSA-N 1 1 337.467 3.584 20 30 EHEDMO C=C(C)COc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1OC ZINC000092043705 1125020532 /nfs/dbraw/zinc/02/05/32/1125020532.db2.gz PREDEQYLBRPGRM-MOPGFXCFSA-N 1 1 344.499 3.566 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000618312207 1125044253 /nfs/dbraw/zinc/04/42/53/1125044253.db2.gz LIZQRNXJQVROGN-HOCLYGCPSA-N 1 1 340.389 3.623 20 30 EHEDMO Cc1nc(N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)sc1C ZINC000182744097 1125360438 /nfs/dbraw/zinc/36/04/38/1125360438.db2.gz ZGNOCVHSLKRODB-AWEZNQCLSA-N 1 1 326.469 3.515 20 30 EHEDMO C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1Cl ZINC000114745867 1129189283 /nfs/dbraw/zinc/18/92/83/1129189283.db2.gz ANBPBAASHKTXSM-UGSOOPFHSA-N 1 1 339.826 3.668 20 30 EHEDMO C=C(CNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000673195720 1129228591 /nfs/dbraw/zinc/22/85/91/1129228591.db2.gz GNGPXINVBMJINF-NRFANRHFSA-N 1 1 349.478 3.616 20 30 EHEDMO C=C(CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)c1ccccc1 ZINC000673342695 1129313231 /nfs/dbraw/zinc/31/32/31/1129313231.db2.gz ZFZUAMIKDACQKK-SFHVURJKSA-N 1 1 328.843 3.772 20 30 EHEDMO CC#CCCCC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466278220 1129357311 /nfs/dbraw/zinc/35/73/11/1129357311.db2.gz XILMLBNBKGIPLA-ICSRJNTNSA-N 1 1 326.484 3.597 20 30 EHEDMO C=CC[C@H](CC)NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000466378501 1129409745 /nfs/dbraw/zinc/40/97/45/1129409745.db2.gz NWNXPSALOSMLII-FQEVSTJZSA-N 1 1 343.515 3.895 20 30 EHEDMO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000170959548 1129453024 /nfs/dbraw/zinc/45/30/24/1129453024.db2.gz LDWSLNCRFHSSFA-UHFFFAOYSA-N 1 1 347.434 3.529 20 30 EHEDMO C[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1cccc(C(F)(F)F)c1 ZINC000092125009 1129533890 /nfs/dbraw/zinc/53/38/90/1129533890.db2.gz NYJCSYQSTWUTII-UHFFFAOYSA-N 1 1 344.340 3.857 20 30 EHEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1cccc(C(F)(F)F)c1 ZINC000092125009 1129533894 /nfs/dbraw/zinc/53/38/94/1129533894.db2.gz NYJCSYQSTWUTII-UHFFFAOYSA-N 1 1 344.340 3.857 20 30 EHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000276271805 1129573873 /nfs/dbraw/zinc/57/38/73/1129573873.db2.gz QHKBIDHREPCCTC-CQSZACIVSA-N 1 1 339.361 3.550 20 30 EHEDMO C[C@@H]1SCC[N@H+](Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccccc1 ZINC000093535472 1129592730 /nfs/dbraw/zinc/59/27/30/1129592730.db2.gz BMPDGBYCGJVRIZ-YWZLYKJASA-N 1 1 348.475 3.885 20 30 EHEDMO C[C@@H]1SCC[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccccc1 ZINC000093535472 1129592735 /nfs/dbraw/zinc/59/27/35/1129592735.db2.gz BMPDGBYCGJVRIZ-YWZLYKJASA-N 1 1 348.475 3.885 20 30 EHEDMO C=CCc1cc(C[NH2+]Cc2nc3c(s2)CCCC3)cc(OC)c1O ZINC000922700627 1129631548 /nfs/dbraw/zinc/63/15/48/1129631548.db2.gz OVHSFCXMMRVADC-UHFFFAOYSA-N 1 1 344.480 3.754 20 30 EHEDMO N#Cc1c(F)cccc1C[NH+]1CCC(Cc2ccccc2CO)CC1 ZINC000428948260 1129632645 /nfs/dbraw/zinc/63/26/45/1129632645.db2.gz RVSBPURFXLQBBL-UHFFFAOYSA-N 1 1 338.426 3.644 20 30 EHEDMO N#Cc1c(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)cn2ccccc12 ZINC000059406531 1129986444 /nfs/dbraw/zinc/98/64/44/1129986444.db2.gz SEAQJAJPZRZDPJ-FQEVSTJZSA-N 1 1 345.446 3.992 20 30 EHEDMO N#Cc1c(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)cn2ccccc12 ZINC000059406531 1129986447 /nfs/dbraw/zinc/98/64/47/1129986447.db2.gz SEAQJAJPZRZDPJ-FQEVSTJZSA-N 1 1 345.446 3.992 20 30 EHEDMO COc1ccc(C#N)cc1C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429222491 1130011390 /nfs/dbraw/zinc/01/13/90/1130011390.db2.gz NWAFQIHBKDCWDJ-UHFFFAOYSA-N 1 1 341.842 3.995 20 30 EHEDMO CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000171681746 1130078270 /nfs/dbraw/zinc/07/82/70/1130078270.db2.gz LIMXIOGKIWRLOJ-UHFFFAOYSA-N 1 1 331.485 3.702 20 30 EHEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000245450250 1130209483 /nfs/dbraw/zinc/20/94/83/1130209483.db2.gz OKXKOAZYEOXNNM-IIYDPXPESA-N 1 1 331.847 3.803 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)o1 ZINC000174389279 1130355412 /nfs/dbraw/zinc/35/54/12/1130355412.db2.gz WQRXZKMJWNSBDM-UHFFFAOYSA-N 1 1 328.375 3.984 20 30 EHEDMO C=C(Cl)C[N@H+](Cc1ccccc1)C[C@H](O)c1cccc(OC)c1 ZINC000766123306 1130358894 /nfs/dbraw/zinc/35/88/94/1130358894.db2.gz WXWFJYBBLIEONO-IBGZPJMESA-N 1 1 331.843 3.983 20 30 EHEDMO C=C(Cl)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(OC)c1 ZINC000766123306 1130358901 /nfs/dbraw/zinc/35/89/01/1130358901.db2.gz WXWFJYBBLIEONO-IBGZPJMESA-N 1 1 331.843 3.983 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000246473161 1130385463 /nfs/dbraw/zinc/38/54/63/1130385463.db2.gz XOCDAOATWAYEEU-VQIMIIECSA-N 1 1 349.482 3.817 20 30 EHEDMO CCOc1ccc(O)c(/C=N/C[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000731938932 1130868576 /nfs/dbraw/zinc/86/85/76/1130868576.db2.gz XMGVPOJRHPPKGJ-YIRPMMGJSA-N 1 1 326.440 3.730 20 30 EHEDMO CCCCCCCCCC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000732127904 1130887105 /nfs/dbraw/zinc/88/71/05/1130887105.db2.gz QTZGRBLKZKZYJG-IBGZPJMESA-N 1 1 338.536 3.840 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCCC(C)(C)C2)cc1 ZINC000732984301 1130978647 /nfs/dbraw/zinc/97/86/47/1130978647.db2.gz INVHHQDKHIYHJV-KRWDZBQOSA-N 1 1 327.472 3.752 20 30 EHEDMO C#CCCOc1ccc(CNC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC000733325843 1131026656 /nfs/dbraw/zinc/02/66/56/1131026656.db2.gz YPMNJRUSTIESGN-WIYYLYMNSA-N 1 1 328.500 3.689 20 30 EHEDMO C=CCOCCC[N@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000347969116 1131110147 /nfs/dbraw/zinc/11/01/47/1131110147.db2.gz TXHGNBLOYMIXRY-UHFFFAOYSA-N 1 1 327.472 3.822 20 30 EHEDMO COc1cc(CN[C@H](C[NH+](C)C)c2ccc(Cl)cc2)ccc1C#N ZINC000282614812 1131113402 /nfs/dbraw/zinc/11/34/02/1131113402.db2.gz FCYGVJXUTBDPSV-GOSISDBHSA-N 1 1 343.858 3.613 20 30 EHEDMO C=CCOCCC[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000348055121 1131133776 /nfs/dbraw/zinc/13/37/76/1131133776.db2.gz OVZPPMCDUXDDED-GHTZIAJQSA-N 1 1 345.531 3.515 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1N=Nc1ccc2ccccc2n1 ZINC000734361355 1131225051 /nfs/dbraw/zinc/22/50/51/1131225051.db2.gz BHYIEZNXTDJIFM-MRXNPFEDSA-N 1 1 345.450 3.940 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000739913380 1131516888 /nfs/dbraw/zinc/51/68/88/1131516888.db2.gz AUWSWOUSUYBSJM-BSIFCXSSSA-N 1 1 348.446 3.959 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741155691 1131580978 /nfs/dbraw/zinc/58/09/78/1131580978.db2.gz MJORKJWPDQOHHZ-OAHLLOKOSA-N 1 1 336.501 3.993 20 30 EHEDMO C=C(C)COc1cc(C[NH2+]Cc2cc(C#N)ccc2F)ccc1OC ZINC000742381808 1131713124 /nfs/dbraw/zinc/71/31/24/1131713124.db2.gz KSNSCMHFCOVVFS-UHFFFAOYSA-N 1 1 340.398 3.951 20 30 EHEDMO C[C@@H](CCCC#N)[N@@H+]1Cc2ncn(C)c2[C@@H](COCC2CCCC2)C1 ZINC001172495250 1131758776 /nfs/dbraw/zinc/75/87/76/1131758776.db2.gz CNXYBKZLMCOBBN-FUHWJXTLSA-N 1 1 344.503 3.608 20 30 EHEDMO C[C@@H](CCCC#N)[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001172495891 1131758925 /nfs/dbraw/zinc/75/89/25/1131758925.db2.gz VYIJUCLJHXNWAM-WMZOPIPTSA-N 1 1 348.441 3.701 20 30 EHEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@H](Oc2cccc(Br)c2)C1 ZINC001172506059 1131762040 /nfs/dbraw/zinc/76/20/40/1131762040.db2.gz MTXQWTZQKRRBNH-XJKSGUPXSA-N 1 1 337.261 3.985 20 30 EHEDMO CC(C)OC(=O)CC[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001172771978 1131842019 /nfs/dbraw/zinc/84/20/19/1131842019.db2.gz ARNOJKAVDVMLMY-SJLPKXTDSA-N 1 1 344.455 3.522 20 30 EHEDMO COc1cccc(O)c1/C=N\[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000743044983 1131842639 /nfs/dbraw/zinc/84/26/39/1131842639.db2.gz VTODNHPZMDNLSM-CPEHUTGBSA-N 1 1 335.407 3.537 20 30 EHEDMO CCC[C@@H]1CCCC[N@H+]1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172982818 1131925441 /nfs/dbraw/zinc/92/54/41/1131925441.db2.gz AGTYVKFDYHPEDD-IKGGRYGDSA-N 1 1 335.492 3.933 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@H]3CCCC[C@H]3C2)C[C@H]1C#N ZINC001172984573 1131925991 /nfs/dbraw/zinc/92/59/91/1131925991.db2.gz MAGACAXBWLBLIM-OWSLCNJRSA-N 1 1 347.503 3.790 20 30 EHEDMO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CCC(OCC=C)CC1)CCO2 ZINC001173320671 1132045879 /nfs/dbraw/zinc/04/58/79/1132045879.db2.gz QYGAYHJIPZZRDB-WCHWRFHJSA-N 1 1 349.515 3.574 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@]12CCC[N@H+](C1CCC(CC#N)CC1)C2 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SIBVWNPMRAKZJM-QAPCUYQASA-N 1 1 344.480 3.580 20 30 EHEDMO Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cn2cc3c(c(C#N)c2=O)CCC3)c1 ZINC000766631686 1132705554 /nfs/dbraw/zinc/70/55/54/1132705554.db2.gz HYHDRUSMGRCUQJ-NRFANRHFSA-N 1 1 347.462 3.620 20 30 EHEDMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001169676364 1132816617 /nfs/dbraw/zinc/81/66/17/1132816617.db2.gz RHWKNGYDIAVXJP-GOSISDBHSA-N 1 1 349.478 3.663 20 30 EHEDMO CCOc1ccccc1C[N@H+]1CCN(Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001169676364 1132816625 /nfs/dbraw/zinc/81/66/25/1132816625.db2.gz RHWKNGYDIAVXJP-GOSISDBHSA-N 1 1 349.478 3.663 20 30 EHEDMO CCOc1ccccc1CN1CC[N@H+](Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001169676364 1132816632 /nfs/dbraw/zinc/81/66/32/1132816632.db2.gz RHWKNGYDIAVXJP-GOSISDBHSA-N 1 1 349.478 3.663 20 30 EHEDMO CCOc1ccccc1CN1CC[N@@H+](Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001169676364 1132816642 /nfs/dbraw/zinc/81/66/42/1132816642.db2.gz RHWKNGYDIAVXJP-GOSISDBHSA-N 1 1 349.478 3.663 20 30 EHEDMO CSc1nc(N2CCCC2)cc(NC23CCC(C#N)(CC2)CC3)[nH+]1 ZINC001169747044 1132838263 /nfs/dbraw/zinc/83/82/63/1132838263.db2.gz WALNWAVEQIVZGR-UHFFFAOYSA-N 1 1 343.500 3.827 20 30 EHEDMO CSc1nc(NC23CCC(C#N)(CC2)CC3)cc(N2CCCC2)[nH+]1 ZINC001169747044 1132838273 /nfs/dbraw/zinc/83/82/73/1132838273.db2.gz WALNWAVEQIVZGR-UHFFFAOYSA-N 1 1 343.500 3.827 20 30 EHEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001169772137 1132853506 /nfs/dbraw/zinc/85/35/06/1132853506.db2.gz SRQSZILXSGNLAY-IBGZPJMESA-N 1 1 333.859 3.603 20 30 EHEDMO CCCC1CCC([N@@H+](C)C[C@H](O)COc2ccccc2C#N)CC1 ZINC001169953861 1132908591 /nfs/dbraw/zinc/90/85/91/1132908591.db2.gz WVEAQTDMKFZJFW-KVZIAJEVSA-N 1 1 330.472 3.589 20 30 EHEDMO C#CC[N@@H+](C[C@@H]1CCC2(CCOCC2)O1)[C@@H]1CCCc2ccccc21 ZINC001176453407 1132937564 /nfs/dbraw/zinc/93/75/64/1132937564.db2.gz TXUQMRQPQJQJSD-PZJWPPBQSA-N 1 1 339.479 3.727 20 30 EHEDMO C#CC[N@H+](CCCC(=O)NCC(C)C)[C@@H]1CCCc2ccccc21 ZINC001176453371 1132938463 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EHEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC000769401895 1133277212 /nfs/dbraw/zinc/27/72/12/1133277212.db2.gz RSWCFFNKTDLBQN-HNNXBMFYSA-N 1 1 334.460 3.596 20 30 EHEDMO N#CC1(C[NH2+]Cc2cc3cc(Br)ccc3o2)CCOCC1 ZINC001179780422 1133278771 /nfs/dbraw/zinc/27/87/71/1133278771.db2.gz JRBIZDKQWANGJD-UHFFFAOYSA-N 1 1 349.228 3.605 20 30 EHEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H](C)COC ZINC001179859163 1133294868 /nfs/dbraw/zinc/29/48/68/1133294868.db2.gz LPMWLMHVWZKLPW-LBPRGKRZSA-N 1 1 330.241 3.859 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)cc1 ZINC000770350953 1133418429 /nfs/dbraw/zinc/41/84/29/1133418429.db2.gz RFLCMSSPCIIXJE-ZOCZFRKYSA-N 1 1 336.435 3.801 20 30 EHEDMO CCCCCCC[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001181132724 1133456881 /nfs/dbraw/zinc/45/68/81/1133456881.db2.gz HOJGFUGSHTWJAP-HKUYNNGSSA-N 1 1 331.504 3.769 20 30 EHEDMO CCCCCCC[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001181132724 1133456886 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CC(C)[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000774832017 1134039928 /nfs/dbraw/zinc/03/99/28/1134039928.db2.gz HWFXJCQCAAEYHJ-UHFFFAOYSA-N 1 1 331.460 3.683 20 30 EHEDMO Cc1cc(C[N@@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)ccc1C#N ZINC000774877537 1134084165 /nfs/dbraw/zinc/08/41/65/1134084165.db2.gz KGXAQAHHFQVMEG-QGZVFWFLSA-N 1 1 343.471 3.556 20 30 EHEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1sccc1Cl)C2 ZINC001205333361 1134122454 /nfs/dbraw/zinc/12/24/54/1134122454.db2.gz BKBIKIDOSXKUNZ-CZUORRHYSA-N 1 1 327.877 3.728 20 30 EHEDMO C[N@@H+](Cc1ccccc1)C1CCC(=NNCCc2ccncc2)CC1 ZINC000789094861 1134224815 /nfs/dbraw/zinc/22/48/15/1134224815.db2.gz WHWWDWKEVZCJIW-UHFFFAOYSA-N 1 1 336.483 3.644 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CCOC)[C@H](C)c2ccc3ccccc3c2)n1 ZINC000789320678 1134256233 /nfs/dbraw/zinc/25/62/33/1134256233.db2.gz AEIMVJZFQNRHCB-GOSISDBHSA-N 1 1 347.462 3.879 20 30 EHEDMO C#CCn1ccc(C[N@H+](CCOC)[C@H](C)c2ccc3ccccc3c2)n1 ZINC000789320678 1134256236 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Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)ncc1C#N ZINC001187174422 1134311720 /nfs/dbraw/zinc/31/17/20/1134311720.db2.gz GIPAIISFBBZPHF-HXUWFJFHSA-N 1 1 346.478 3.976 20 30 EHEDMO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+]([C@H]1CC[C@@H](C)C1)CC2 ZINC001170141130 1134444211 /nfs/dbraw/zinc/44/42/11/1134444211.db2.gz YPSKGENYKGIRBA-WBVHZDCISA-N 1 1 329.488 3.542 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CC[N@H+](C3CCC3)C2)c1 ZINC001189282001 1134560428 /nfs/dbraw/zinc/56/04/28/1134560428.db2.gz PDERIJHHSMZECX-SFHVURJKSA-N 1 1 341.499 3.881 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)NCC[N@@H+]2CCC[C@H](F)C2)c1 ZINC001189281254 1134560571 /nfs/dbraw/zinc/56/05/71/1134560571.db2.gz FVENDCJCLWVZEJ-SFHVURJKSA-N 1 1 347.478 3.688 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)NCC[N@H+]2CCC[C@H](F)C2)c1 ZINC001189281254 1134560576 /nfs/dbraw/zinc/56/05/76/1134560576.db2.gz FVENDCJCLWVZEJ-SFHVURJKSA-N 1 1 347.478 3.688 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC001189267961 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C=CC[N@H+](CCc1ccccc1)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC001190708215 1134735341 /nfs/dbraw/zinc/73/53/41/1134735341.db2.gz SBLRGWIFGUNTFT-HNNXBMFYSA-N 1 1 343.858 3.793 20 30 EHEDMO CCC#C[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001170331964 1134750719 /nfs/dbraw/zinc/75/07/19/1134750719.db2.gz CQVCPYNRTOTKBB-OKZBNKHCSA-N 1 1 334.504 3.757 20 30 EHEDMO C#C[C@@H](CC)[NH2+][C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000792640277 1134756822 /nfs/dbraw/zinc/75/68/22/1134756822.db2.gz BAEGNRVJBVASOO-PXNSSMCTSA-N 1 1 336.435 3.685 20 30 EHEDMO COC(=O)[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1CCCC1 ZINC001170365300 1134757447 /nfs/dbraw/zinc/75/74/47/1134757447.db2.gz UVDXNHADLPDSST-SCCNAQOGSA-N 1 1 340.467 3.712 20 30 EHEDMO CC(C)N1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C[C@@H]1C ZINC001170398596 1134765654 /nfs/dbraw/zinc/76/56/54/1134765654.db2.gz QLHWOLFPGOPBRV-PELRDEGISA-N 1 1 325.500 3.805 20 30 EHEDMO CC(C)[N@@H+]1CCN(C2CCC(C#N)(c3ccccc3)CC2)C[C@@H]1C ZINC001170398596 1134765660 /nfs/dbraw/zinc/76/56/60/1134765660.db2.gz QLHWOLFPGOPBRV-PELRDEGISA-N 1 1 325.500 3.805 20 30 EHEDMO CC(C)[N@H+]1CCN(C2CCC(C#N)(c3ccccc3)CC2)C[C@@H]1C ZINC001170398596 1134765663 /nfs/dbraw/zinc/76/56/63/1134765663.db2.gz QLHWOLFPGOPBRV-PELRDEGISA-N 1 1 325.500 3.805 20 30 EHEDMO C=CC1CC[NH+](Cc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC001191013926 1134780171 /nfs/dbraw/zinc/78/01/71/1134780171.db2.gz SRGGARUPHRYXOW-LBPRGKRZSA-N 1 1 342.512 3.796 20 30 EHEDMO CC[C@]1(C)CCC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC001191212574 1134817939 /nfs/dbraw/zinc/81/79/39/1134817939.db2.gz AWJAGCSDEGRMBS-VXLIZBOYSA-N 1 1 333.520 3.818 20 30 EHEDMO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3ccc(C)cc3)C2)CC1 ZINC001194303112 1135254731 /nfs/dbraw/zinc/25/47/31/1135254731.db2.gz AUXKDZOQWFGJBI-UHFFFAOYSA-N 1 1 342.483 3.996 20 30 EHEDMO Cc1ccc(OC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)cc1 ZINC001194425856 1135268124 /nfs/dbraw/zinc/26/81/24/1135268124.db2.gz JWTGJZXUBNLYOK-UHFFFAOYSA-N 1 1 327.409 3.527 20 30 EHEDMO Cc1ccc(OC(=O)Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1 ZINC001194425856 1135268128 /nfs/dbraw/zinc/26/81/28/1135268128.db2.gz JWTGJZXUBNLYOK-UHFFFAOYSA-N 1 1 327.409 3.527 20 30 EHEDMO C=CCC[N@H+]1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001195104006 1135361190 /nfs/dbraw/zinc/36/11/90/1135361190.db2.gz NLHHPZNJWKOXGW-DLBZAZTESA-N 1 1 334.435 3.694 20 30 EHEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC001195946163 1135498131 /nfs/dbraw/zinc/49/81/31/1135498131.db2.gz IASCTAWKFDAHIX-NNVNDSJASA-N 1 1 331.504 3.594 20 30 EHEDMO CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC1CCC(C#N)CC1 ZINC001196168222 1135526949 /nfs/dbraw/zinc/52/69/49/1135526949.db2.gz UJMZJXCONOWDQN-DAWZGUTISA-N 1 1 349.519 3.894 20 30 EHEDMO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+](CC1CCC(C#N)CC1)C2 ZINC001196470941 1135564686 /nfs/dbraw/zinc/56/46/86/1135564686.db2.gz XCMFBTMHVPKZEO-AEBIURJHSA-N 1 1 347.503 3.696 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CC2(C)C)c1 ZINC001196460036 1135569836 /nfs/dbraw/zinc/56/98/36/1135569836.db2.gz WHFLBDHYGNIWBK-MSOLQXFVSA-N 1 1 341.499 3.917 20 30 EHEDMO C[C@@H]1CCC[N@H+]1CCNC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001196706706 1135598603 /nfs/dbraw/zinc/59/86/03/1135598603.db2.gz RECWZLQVXRHYOD-GOSISDBHSA-N 1 1 347.462 3.692 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2C(C)C)cc1C ZINC000747528565 1135740432 /nfs/dbraw/zinc/74/04/32/1135740432.db2.gz MJYHHOKHZMXJBD-LJQANCHMSA-N 1 1 327.472 3.671 20 30 EHEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000104098662 1135753485 /nfs/dbraw/zinc/75/34/85/1135753485.db2.gz RSKITFSPKYMAEN-SFHVURJKSA-N 1 1 343.471 3.637 20 30 EHEDMO C=CCC[C@H]1CCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC001198414517 1135812086 /nfs/dbraw/zinc/81/20/86/1135812086.db2.gz VDPOKDCFAQTXDC-DLBZAZTESA-N 1 1 346.434 3.654 20 30 EHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@H](N2CCCC2)C[C@H]1C(C)C ZINC001198622733 1135843722 /nfs/dbraw/zinc/84/37/22/1135843722.db2.gz NLFVAWPTSULYOQ-CTNGQTDRSA-N 1 1 325.500 3.870 20 30 EHEDMO Cc1cc(C#N)cc(C)c1CN1C[C@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001198622733 1135843727 /nfs/dbraw/zinc/84/37/27/1135843727.db2.gz NLFVAWPTSULYOQ-CTNGQTDRSA-N 1 1 325.500 3.870 20 30 EHEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)o1 ZINC000809699120 1135868883 /nfs/dbraw/zinc/86/88/83/1135868883.db2.gz NCIQLVDWMUOIAQ-OAQYLSRUSA-N 1 1 332.403 3.887 20 30 EHEDMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000809723299 1135879067 /nfs/dbraw/zinc/87/90/67/1135879067.db2.gz FWJDTSMWOYBZBQ-HNNXBMFYSA-N 1 1 349.500 3.889 20 30 EHEDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC001132075708 1135921971 /nfs/dbraw/zinc/92/19/71/1135921971.db2.gz VTKRTZBQBPZGOM-GOSISDBHSA-N 1 1 339.483 3.756 20 30 EHEDMO C=CCOC(=O)N1CCC2(CCC[N@@H+](C[C@H]3CC=CCC3)C2)CC1 ZINC001201406687 1136013260 /nfs/dbraw/zinc/01/32/60/1136013260.db2.gz FONNTRWQIUVTOJ-SFHVURJKSA-N 1 1 332.488 3.843 20 30 EHEDMO CCC[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC001201572049 1136042287 /nfs/dbraw/zinc/04/22/87/1136042287.db2.gz OYWVLSIYPFVSJN-HXUWFJFHSA-N 1 1 347.462 3.692 20 30 EHEDMO CC(C)CC[N@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001201620194 1136048231 /nfs/dbraw/zinc/04/82/31/1136048231.db2.gz JHJUEWUTKVKODJ-NRFANRHFSA-N 1 1 341.499 3.523 20 30 EHEDMO CCCCCCC[N@@H+]1C[C@@H]2C(=O)N(Cc3cccc(F)c3)C[C@H]2C1 ZINC001201762681 1136061401 /nfs/dbraw/zinc/06/14/01/1136061401.db2.gz QUXVNERTBCTJLO-MJGOQNOKSA-N 1 1 332.463 3.686 20 30 EHEDMO CCCCCCCCC[N@H+]1CC[C@]2(CC(=O)N(c3cncnc3)C2)C1 ZINC001201847681 1136070418 /nfs/dbraw/zinc/07/04/18/1136070418.db2.gz ZBLAVFRCNDZFOZ-FQEVSTJZSA-N 1 1 344.503 3.656 20 30 EHEDMO CC(C)(C)c1ccc2[nH]cc(C=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)c2c1 ZINC000811645413 1136116034 /nfs/dbraw/zinc/11/60/34/1136116034.db2.gz LIQXHYOFKZHPTF-HDICACEKSA-N 1 1 337.471 3.659 20 30 EHEDMO C#C[C@H](NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)c1ccc(F)cc1 ZINC000812754153 1136243432 /nfs/dbraw/zinc/24/34/32/1136243432.db2.gz JTQZUMZIPLEMOO-ZWKOTPCHSA-N 1 1 344.817 3.573 20 30 EHEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1c(C2CCC2)cnn1C ZINC000850391453 1136247662 /nfs/dbraw/zinc/24/76/62/1136247662.db2.gz QJKSQHVIEQCZID-UHFFFAOYSA-N 1 1 343.858 3.643 20 30 EHEDMO C#C[C@H]([NH2+]Cc1ccc(OC)c(COCC)c1)c1ccc(F)cc1 ZINC000812793751 1136251019 /nfs/dbraw/zinc/25/10/19/1136251019.db2.gz CTHJIIXTBHJOGC-IBGZPJMESA-N 1 1 327.399 3.835 20 30 EHEDMO C#C[C@@](C)(CC)[NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000852102479 1136433825 /nfs/dbraw/zinc/43/38/25/1136433825.db2.gz YEKKHNHZAXYVMC-KRWDZBQOSA-N 1 1 327.409 3.548 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC([C@@H]2CCC[N@@H+](CCCC#N)C2)CC1 ZINC000852300206 1136446479 /nfs/dbraw/zinc/44/64/79/1136446479.db2.gz GBCYPZHDTQYMBH-QGZVFWFLSA-N 1 1 335.492 3.649 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000852319634 1136447879 /nfs/dbraw/zinc/44/78/79/1136447879.db2.gz QPZUORZVVSTJDK-JKSUJKDBSA-N 1 1 327.472 3.937 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000852319634 1136447880 /nfs/dbraw/zinc/44/78/80/1136447880.db2.gz QPZUORZVVSTJDK-JKSUJKDBSA-N 1 1 327.472 3.937 20 30 EHEDMO COc1ccccc1CCC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852332157 1136450212 /nfs/dbraw/zinc/45/02/12/1136450212.db2.gz ORXQNYOWDIHMFA-OAQYLSRUSA-N 1 1 335.451 3.580 20 30 EHEDMO COc1ccccc1CCC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852332157 1136450216 /nfs/dbraw/zinc/45/02/16/1136450216.db2.gz ORXQNYOWDIHMFA-OAQYLSRUSA-N 1 1 335.451 3.580 20 30 EHEDMO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000852410486 1136454185 /nfs/dbraw/zinc/45/41/85/1136454185.db2.gz MRXAYJSBMRGVCI-QGZVFWFLSA-N 1 1 327.472 3.513 20 30 EHEDMO CCCCCCCC[C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000852878502 1136491741 /nfs/dbraw/zinc/49/17/41/1136491741.db2.gz PIHDEFZNBOATOH-IEBWSBKVSA-N 1 1 331.504 3.941 20 30 EHEDMO C#CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814671515 1136492175 /nfs/dbraw/zinc/49/21/75/1136492175.db2.gz CKJBVPRNWFERLG-MSOLQXFVSA-N 1 1 334.504 3.759 20 30 EHEDMO CCCCCCCC[C@@H](C)C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000852890711 1136492357 /nfs/dbraw/zinc/49/23/57/1136492357.db2.gz LLSNESFKBJJTQQ-MJGOQNOKSA-N 1 1 331.504 3.941 20 30 EHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@H]1CNC(=O)OC(C)(C)C ZINC000747969949 1136498363 /nfs/dbraw/zinc/49/83/63/1136498363.db2.gz UJWHRCLZFQNOCF-QAPCUYQASA-N 1 1 343.471 3.683 20 30 EHEDMO C=CC[NH+](CC=C)CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000217200404 1136508904 /nfs/dbraw/zinc/50/89/04/1136508904.db2.gz PYRKQMDTIIEOGS-QFIPXVFZSA-N 1 1 346.474 3.835 20 30 EHEDMO Cc1nc(Cl)cc(N=NC2CCC[N@@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000814855922 1136519699 /nfs/dbraw/zinc/51/96/99/1136519699.db2.gz VUBMTJLXUUJLKV-ZDUSSCGKSA-N 1 1 343.862 3.891 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1CC(c2ccc(Cl)cc2)=CC1=O ZINC000853598664 1136547657 /nfs/dbraw/zinc/54/76/57/1136547657.db2.gz UVHZVDYERMFAPR-HDICACEKSA-N 1 1 328.843 3.706 20 30 EHEDMO C#CCCOc1ccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)cc1 ZINC000776694140 1136567302 /nfs/dbraw/zinc/56/73/02/1136567302.db2.gz YFELGYNSWWEXIX-JOCHJYFZSA-N 1 1 335.447 3.532 20 30 EHEDMO C#CCCOc1ccc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)cc1 ZINC000776694140 1136567306 /nfs/dbraw/zinc/56/73/06/1136567306.db2.gz YFELGYNSWWEXIX-JOCHJYFZSA-N 1 1 335.447 3.532 20 30 EHEDMO C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000815652500 1136626342 /nfs/dbraw/zinc/62/63/42/1136626342.db2.gz GBRKBMQXRYVWFB-OAHLLOKOSA-N 1 1 329.271 3.695 20 30 EHEDMO C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000815652500 1136626343 /nfs/dbraw/zinc/62/63/43/1136626343.db2.gz GBRKBMQXRYVWFB-OAHLLOKOSA-N 1 1 329.271 3.695 20 30 EHEDMO C=CCCC[C@H](C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21)c1ccccc1 ZINC001135244982 1136643032 /nfs/dbraw/zinc/64/30/32/1136643032.db2.gz OYOVBGXEDDMCHW-VNTMZGSJSA-N 1 1 326.484 3.583 20 30 EHEDMO C#CCOc1ccc(C[NH2+][C@H](COCC(C)C)c2ccco2)cc1 ZINC000113332106 1136697178 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338.379 3.862 20 30 EHEDMO C=CCC[C@H](NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C)c1ccccc1 ZINC000130965703 1138487607 /nfs/dbraw/zinc/48/76/07/1138487607.db2.gz MCGTUEKHWFBHJE-OTWHNJEPSA-N 1 1 327.472 3.572 20 30 EHEDMO COCc1ccc([C@@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)o1 ZINC000131025477 1138491357 /nfs/dbraw/zinc/49/13/57/1138491357.db2.gz DZGNCYQSDXFZHQ-SFHVURJKSA-N 1 1 326.396 3.514 20 30 EHEDMO CC[C@](C)(O)C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000337206999 1138495276 /nfs/dbraw/zinc/49/52/76/1138495276.db2.gz NPKISGSMAAKRFT-FQEVSTJZSA-N 1 1 344.499 3.750 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000264958907 1138687349 /nfs/dbraw/zinc/68/73/49/1138687349.db2.gz FNKAICVQOUEHAH-INIZCTEOSA-N 1 1 334.423 3.923 20 30 EHEDMO C=C[C@](C)(CC)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000134964553 1138716355 /nfs/dbraw/zinc/71/63/55/1138716355.db2.gz RHLVLLNFDIFDQM-LJQANCHMSA-N 1 1 336.426 3.648 20 30 EHEDMO C#CCOc1ccc(C[NH2+][C@H](C)c2nc3c(s2)CCCC3)cc1 ZINC000265468676 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3.589 20 30 EHEDMO C=C(C)CN(CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000267367316 1140782988 /nfs/dbraw/zinc/78/29/88/1140782988.db2.gz JSKARQXKZSJPSD-HKUYNNGSSA-N 1 1 329.488 3.505 20 30 EHEDMO Cc1sc(NC(=O)C[N@@H+](C)[C@H](C)c2cccs2)c(C#N)c1C ZINC000267403634 1140787245 /nfs/dbraw/zinc/78/72/45/1140787245.db2.gz PZFYPMZFXCYDHP-LLVKDONJSA-N 1 1 333.482 3.930 20 30 EHEDMO Cc1sc(NC(=O)C[N@H+](C)[C@H](C)c2cccs2)c(C#N)c1C ZINC000267403634 1140787246 /nfs/dbraw/zinc/78/72/46/1140787246.db2.gz PZFYPMZFXCYDHP-LLVKDONJSA-N 1 1 333.482 3.930 20 30 EHEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2csc([C@H](C)OC)n2)cc1 ZINC000269106465 1141066520 /nfs/dbraw/zinc/06/65/20/1141066520.db2.gz VAGBKQMBTGBMDK-KBPBESRZSA-N 1 1 330.453 3.713 20 30 EHEDMO C=CCC[C@@H](NC(=O)NCCCn1cc[nH+]c1C)c1ccccc1 ZINC000269377034 1141101205 /nfs/dbraw/zinc/10/12/05/1141101205.db2.gz WGCCXNHSHYPVOO-GOSISDBHSA-N 1 1 326.444 3.588 20 30 EHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc(CC#N)cc1 ZINC000270190174 1141190357 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CC1(C)C[N@H+](CCCC2(C#N)CCOCC2)C[C@@](C)(C(F)(F)F)O1 ZINC000339455575 1014508481 /nfs/dbraw/zinc/50/84/81/1014508481.db2.gz RQJRADQHCFOMEP-HNNXBMFYSA-N 1 1 348.409 3.519 20 30 EHEDMO CC1(C)C[N@@H+](CCCC2(C#N)CCOCC2)C[C@@](C)(C(F)(F)F)O1 ZINC000339455575 1014508492 /nfs/dbraw/zinc/50/84/92/1014508492.db2.gz RQJRADQHCFOMEP-HNNXBMFYSA-N 1 1 348.409 3.519 20 30 EHEDMO C[C@@H](CCc1cccc(F)c1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430173411 1014556301 /nfs/dbraw/zinc/55/63/01/1014556301.db2.gz FNQDTGHBOWHJMX-KXBFYZLASA-N 1 1 339.414 3.567 20 30 EHEDMO N#Cc1ccc(F)c(C[NH+]2CCC(Oc3cncc(Cl)c3)CC2)c1 ZINC000578081796 1015062805 /nfs/dbraw/zinc/06/28/05/1015062805.db2.gz BIPOBUVAOOCGBV-UHFFFAOYSA-N 1 1 345.805 3.789 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000127031213 1015178998 /nfs/dbraw/zinc/17/89/98/1015178998.db2.gz ULECGCOZNCIAHB-HXUWFJFHSA-N 1 1 347.462 3.603 20 30 EHEDMO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)nnn1-c1ccc(F)cc1 ZINC000154334613 1015379418 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CC[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1 ZINC000016483164 1015928600 /nfs/dbraw/zinc/92/86/00/1015928600.db2.gz WACDQBDUVRDOOX-UHFFFAOYSA-N 1 1 339.464 3.763 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1 ZINC000016483164 1015928618 /nfs/dbraw/zinc/92/86/18/1015928618.db2.gz WACDQBDUVRDOOX-UHFFFAOYSA-N 1 1 339.464 3.763 20 30 EHEDMO C=C(C)[C@H](NC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1ccc(F)c(F)c1 ZINC000275089396 1015967427 /nfs/dbraw/zinc/96/74/27/1015967427.db2.gz ULAZACOXUCYKGD-ACJLOTCBSA-N 1 1 349.425 3.532 20 30 EHEDMO Fc1ccc(C#CC[N@H+](CCc2ccccn2)Cc2cccnc2)cc1 ZINC000430342418 1016406563 /nfs/dbraw/zinc/40/65/63/1016406563.db2.gz KATVLSDLTLPVNX-UHFFFAOYSA-N 1 1 345.421 3.712 20 30 EHEDMO Fc1ccc(C#CC[N@@H+](CCc2ccccn2)Cc2cccnc2)cc1 ZINC000430342418 1016406579 /nfs/dbraw/zinc/40/65/79/1016406579.db2.gz KATVLSDLTLPVNX-UHFFFAOYSA-N 1 1 345.421 3.712 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)CC1(c2ccccc2)CC1 ZINC000189309933 1016506039 /nfs/dbraw/zinc/50/60/39/1016506039.db2.gz HFUFHLGTBNPJDB-UHFFFAOYSA-N 1 1 339.464 3.612 20 30 EHEDMO Cc1cccc(C[N@H+](CC(=O)Nc2ccc(C#N)cc2)CC(C)C)c1 ZINC001167199984 1016562258 /nfs/dbraw/zinc/56/22/58/1016562258.db2.gz ZYTSRFGXESDXBY-UHFFFAOYSA-N 1 1 335.451 3.963 20 30 EHEDMO C[N@@H+](CCc1cccc2ccccc21)C[C@@H](O)c1cccc(C#N)c1 ZINC001167264480 1016868696 /nfs/dbraw/zinc/86/86/96/1016868696.db2.gz LUIUWKYLERYQJA-JOCHJYFZSA-N 1 1 330.431 3.919 20 30 EHEDMO C#CC[N@H+](CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001167273733 1016915769 /nfs/dbraw/zinc/91/57/69/1016915769.db2.gz QSNSLZCHTOBETF-QGZVFWFLSA-N 1 1 334.504 3.901 20 30 EHEDMO C#Cc1cccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000077673827 1017069200 /nfs/dbraw/zinc/06/92/00/1017069200.db2.gz VISQODPFZCCGKB-SFHVURJKSA-N 1 1 347.462 3.796 20 30 EHEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000536695970 1032154810 /nfs/dbraw/zinc/15/48/10/1032154810.db2.gz OVZXSRLRYNCJPL-APWZRJJASA-N 1 1 330.435 3.659 20 30 EHEDMO C[C@@H]1c2c(Cl)cc(Cl)cc2CC[N@H+]1C[C@@H](O)CC1(C#N)CC1 ZINC000528401045 1032230645 /nfs/dbraw/zinc/23/06/45/1032230645.db2.gz UEGVCRJWFPEDRF-RISCZKNCSA-N 1 1 339.266 3.967 20 30 EHEDMO C[C@@H]1c2c(Cl)cc(Cl)cc2CC[N@@H+]1C[C@@H](O)CC1(C#N)CC1 ZINC000528401045 1032230656 /nfs/dbraw/zinc/23/06/56/1032230656.db2.gz UEGVCRJWFPEDRF-RISCZKNCSA-N 1 1 339.266 3.967 20 30 EHEDMO C=CC[N@H+](CCOC)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459533376 1032253045 /nfs/dbraw/zinc/25/30/45/1032253045.db2.gz VIPQNGUMPHEMBA-UHFFFAOYSA-N 1 1 340.471 3.695 20 30 EHEDMO C=CCOc1cccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000600969486 1032321733 /nfs/dbraw/zinc/32/17/33/1032321733.db2.gz ZCXAQZRITMQAOA-INIZCTEOSA-N 1 1 336.435 3.637 20 30 EHEDMO C=CCOc1cccc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000600969486 1032321743 /nfs/dbraw/zinc/32/17/43/1032321743.db2.gz ZCXAQZRITMQAOA-INIZCTEOSA-N 1 1 336.435 3.637 20 30 EHEDMO C[NH+](C)CC1(CNCc2cccc(OCCCC#N)c2)CCCC1 ZINC000185292095 1032377412 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C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000449444590 1032560171 /nfs/dbraw/zinc/56/01/71/1032560171.db2.gz CHTSSWXDRAADCI-CUWPLCDZSA-N 1 1 325.500 3.754 20 30 EHEDMO COc1ccc(C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)cc1OCCCC#N ZINC000449496085 1032665656 /nfs/dbraw/zinc/66/56/56/1032665656.db2.gz GALZUSHSQMSZMO-LJQANCHMSA-N 1 1 346.471 3.625 20 30 EHEDMO N#CCSCCC[NH+]1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000593052817 1032686478 /nfs/dbraw/zinc/68/64/78/1032686478.db2.gz LSIRQTQFASSNOJ-UHFFFAOYSA-N 1 1 344.311 3.762 20 30 EHEDMO C=CCCCN(CC)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000892771904 1017377608 /nfs/dbraw/zinc/37/76/08/1017377608.db2.gz IDYUXXPYQFDZAM-HXUWFJFHSA-N 1 1 343.515 3.549 20 30 EHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000639162223 1017712670 /nfs/dbraw/zinc/71/26/70/1017712670.db2.gz QLJYTYZJNMROKU-SFHVURJKSA-N 1 1 340.467 3.677 20 30 EHEDMO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000377399457 1017744203 /nfs/dbraw/zinc/74/42/03/1017744203.db2.gz KXIGVAIZPUXPHP-QUCCMNQESA-N 1 1 348.437 3.798 20 30 EHEDMO C#CCCCCC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000377399457 1017744215 /nfs/dbraw/zinc/74/42/15/1017744215.db2.gz KXIGVAIZPUXPHP-QUCCMNQESA-N 1 1 348.437 3.798 20 30 EHEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000091958549 1032747597 /nfs/dbraw/zinc/74/75/97/1032747597.db2.gz WNZUTZKEZKNTDJ-QUCCMNQESA-N 1 1 339.435 3.770 20 30 EHEDMO CN1CC[N@@H+](CCC2(C#N)CCCCC2)[C@H](Cc2ccccc2)C1 ZINC000593089878 1032756070 /nfs/dbraw/zinc/75/60/70/1032756070.db2.gz UYOJQSZMTXEULM-HXUWFJFHSA-N 1 1 325.500 3.709 20 30 EHEDMO C[N@@H+]1CCN(CCC2(C#N)CCCCC2)[C@H](Cc2ccccc2)C1 ZINC000593089878 1032756081 /nfs/dbraw/zinc/75/60/81/1032756081.db2.gz UYOJQSZMTXEULM-HXUWFJFHSA-N 1 1 325.500 3.709 20 30 EHEDMO C[N@H+]1CCN(CCC2(C#N)CCCCC2)[C@H](Cc2ccccc2)C1 ZINC000593089878 1032756091 /nfs/dbraw/zinc/75/60/91/1032756091.db2.gz UYOJQSZMTXEULM-HXUWFJFHSA-N 1 1 325.500 3.709 20 30 EHEDMO C=CCCCCNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000472862189 1018359886 /nfs/dbraw/zinc/35/98/86/1018359886.db2.gz YAYMOYOOJCWWEH-GOSISDBHSA-N 1 1 329.488 3.649 20 30 EHEDMO C[C@@H](NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000610348283 1018376973 /nfs/dbraw/zinc/37/69/73/1018376973.db2.gz CUKWQNRAJKPPMJ-DLBZAZTESA-N 1 1 342.487 3.573 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000345088298 1018840240 /nfs/dbraw/zinc/84/02/40/1018840240.db2.gz DMNBRGLTVHBBBV-INIZCTEOSA-N 1 1 328.419 3.863 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000345088298 1018840257 /nfs/dbraw/zinc/84/02/57/1018840257.db2.gz DMNBRGLTVHBBBV-INIZCTEOSA-N 1 1 328.419 3.863 20 30 EHEDMO C[C@H]1C[C@H](Nc2c(C#N)nnc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000397978206 1018943607 /nfs/dbraw/zinc/94/36/07/1018943607.db2.gz LJYFMDHSJMGPHT-RDJZCZTQSA-N 1 1 343.434 3.576 20 30 EHEDMO CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000592402388 1032797177 /nfs/dbraw/zinc/79/71/77/1032797177.db2.gz GLMULYKWINZARL-FSSWDIPSSA-N 1 1 333.479 3.944 20 30 EHEDMO CC[C@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000592402388 1032797186 /nfs/dbraw/zinc/79/71/86/1032797186.db2.gz GLMULYKWINZARL-FSSWDIPSSA-N 1 1 333.479 3.944 20 30 EHEDMO N#Cc1cccc(C[NH+]2CCC(Oc3cncc(Cl)c3)CC2)c1F ZINC000576408271 1018954896 /nfs/dbraw/zinc/95/48/96/1018954896.db2.gz BDQBAWCQSYKUES-UHFFFAOYSA-N 1 1 345.805 3.789 20 30 EHEDMO C=CCn1c(SCC[C@@H]2CCCC[N@@H+]2C)nnc1-c1ccco1 ZINC000340666415 1019135889 /nfs/dbraw/zinc/13/58/89/1019135889.db2.gz SSHHUOUYJDSZND-AWEZNQCLSA-N 1 1 332.473 3.691 20 30 EHEDMO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C3CCOCC3)CC2)c1C ZINC000153349233 1019390761 /nfs/dbraw/zinc/39/07/61/1019390761.db2.gz IFFNQXCJQONVCN-UHFFFAOYSA-N 1 1 344.499 3.612 20 30 EHEDMO C[N@@H+](CCc1cccc(NC(=O)Nc2cccc(C#N)c2)c1)C1CC1 ZINC000091629753 1019567670 /nfs/dbraw/zinc/56/76/70/1019567670.db2.gz MAUBBOYMJAVHCL-UHFFFAOYSA-N 1 1 334.423 3.839 20 30 EHEDMO CC(C)[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000433778106 1019598719 /nfs/dbraw/zinc/59/87/19/1019598719.db2.gz UCUMEDGJQCNDMS-MSOLQXFVSA-N 1 1 341.842 3.725 20 30 EHEDMO CCN(Cc1cccc(C#N)n1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000602449819 1032878179 /nfs/dbraw/zinc/87/81/79/1032878179.db2.gz SSRCUBHSACJKMI-LAUBAEHRSA-N 1 1 334.467 3.611 20 30 EHEDMO CC(C)(C#N)c1ccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000280233253 1020216507 /nfs/dbraw/zinc/21/65/07/1020216507.db2.gz SLYWGXVFJFRHOU-UHFFFAOYSA-N 1 1 339.483 3.578 20 30 EHEDMO C=CCc1cc(CN2CCC[N@H+](C3CCCC3)CC2)c(O)c(OC)c1 ZINC000178893294 1020288120 /nfs/dbraw/zinc/28/81/20/1020288120.db2.gz VVKLZWHGQYUJBT-UHFFFAOYSA-N 1 1 344.499 3.580 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2NC2CCC(C#N)CC2)C[C@H](C)O1 ZINC000602490115 1032919257 /nfs/dbraw/zinc/91/92/57/1032919257.db2.gz CHYAKDFHXHKKPW-GIOYIUAESA-N 1 1 327.472 3.790 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccccc2NC2CCC(C#N)CC2)C[C@H](C)O1 ZINC000602490115 1032919267 /nfs/dbraw/zinc/91/92/67/1032919267.db2.gz CHYAKDFHXHKKPW-GIOYIUAESA-N 1 1 327.472 3.790 20 30 EHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3(C#N)CCCC3)cc2)C1 ZINC000072009553 1020928583 /nfs/dbraw/zinc/92/85/83/1020928583.db2.gz ZYRJLZFBRXCKSO-QGZVFWFLSA-N 1 1 339.483 3.619 20 30 EHEDMO C=CCC[N@@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000276362386 1021100998 /nfs/dbraw/zinc/10/09/98/1021100998.db2.gz FYKRLXINKFSFHQ-UHFFFAOYSA-N 1 1 328.235 3.569 20 30 EHEDMO C=CCC[N@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000276362386 1021101000 /nfs/dbraw/zinc/10/10/00/1021101000.db2.gz FYKRLXINKFSFHQ-UHFFFAOYSA-N 1 1 328.235 3.569 20 30 EHEDMO C[N@H+](CC#Cc1ccccc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000749515371 1021157832 /nfs/dbraw/zinc/15/78/32/1021157832.db2.gz ZXRWWBNWZJPHEC-MRXNPFEDSA-N 1 1 348.874 3.633 20 30 EHEDMO C[N@@H+](CC#Cc1ccccc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000749515371 1021157845 /nfs/dbraw/zinc/15/78/45/1021157845.db2.gz ZXRWWBNWZJPHEC-MRXNPFEDSA-N 1 1 348.874 3.633 20 30 EHEDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000477169998 1021222269 /nfs/dbraw/zinc/22/22/69/1021222269.db2.gz LBORYECSXQWGJY-LAUBAEHRSA-N 1 1 336.435 3.789 20 30 EHEDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCCOc1cccc(C#N)c1 ZINC000477169998 1021222276 /nfs/dbraw/zinc/22/22/76/1021222276.db2.gz LBORYECSXQWGJY-LAUBAEHRSA-N 1 1 336.435 3.789 20 30 EHEDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000477170002 1021222450 /nfs/dbraw/zinc/22/24/50/1021222450.db2.gz LBORYECSXQWGJY-UTKZUKDTSA-N 1 1 336.435 3.789 20 30 EHEDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCCOc1cccc(C#N)c1 ZINC000477170002 1021222463 /nfs/dbraw/zinc/22/24/63/1021222463.db2.gz LBORYECSXQWGJY-UTKZUKDTSA-N 1 1 336.435 3.789 20 30 EHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000507423536 1021254409 /nfs/dbraw/zinc/25/44/09/1021254409.db2.gz LAPUACUDUCPHGQ-UHFFFAOYSA-N 1 1 349.434 3.547 20 30 EHEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)C12CCC2 ZINC000449635603 1032969093 /nfs/dbraw/zinc/96/90/93/1032969093.db2.gz UUTSNGPXOCQOIZ-MOPGFXCFSA-N 1 1 328.456 3.759 20 30 EHEDMO C=CCCn1cc(CNc2cc(CCc3ccccc3)cc[nH+]2)nn1 ZINC000656770740 1021309736 /nfs/dbraw/zinc/30/97/36/1021309736.db2.gz ONNAQRJJVSVATL-UHFFFAOYSA-N 1 1 333.439 3.647 20 30 EHEDMO CC#CCCCC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000507538006 1021325308 /nfs/dbraw/zinc/32/53/08/1021325308.db2.gz YASVDIRBVJSVNK-UHFFFAOYSA-N 1 1 326.484 3.648 20 30 EHEDMO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000439432609 1021433818 /nfs/dbraw/zinc/43/38/18/1021433818.db2.gz UKNFJZBTCMVTGS-SCLBCKFNSA-N 1 1 342.826 3.852 20 30 EHEDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439452133 1021454193 /nfs/dbraw/zinc/45/41/93/1021454193.db2.gz NFCVYIMHZOEWSN-RHSMWYFYSA-N 1 1 347.890 3.728 20 30 EHEDMO CCCC[N@@H+](C)C[C@H](C)NCc1ccc(OC)c(OCCCC#N)c1 ZINC000288634071 1021541499 /nfs/dbraw/zinc/54/14/99/1021541499.db2.gz SZYPRBBMSDWCKR-KRWDZBQOSA-N 1 1 347.503 3.588 20 30 EHEDMO CCCCN(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000288634071 1021541509 /nfs/dbraw/zinc/54/15/09/1021541509.db2.gz SZYPRBBMSDWCKR-KRWDZBQOSA-N 1 1 347.503 3.588 20 30 EHEDMO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000519828686 1021708455 /nfs/dbraw/zinc/70/84/55/1021708455.db2.gz XSDIMMLRQRIQBY-VQTJNVASSA-N 1 1 345.450 3.678 20 30 EHEDMO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cc(C)cc(F)c3)C2)C1 ZINC001143580242 1021925611 /nfs/dbraw/zinc/92/56/11/1021925611.db2.gz BHCMCRRPGPDFJU-FQEVSTJZSA-N 1 1 346.446 3.745 20 30 EHEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000437569178 1021956112 /nfs/dbraw/zinc/95/61/12/1021956112.db2.gz MYOMQGMXWPLDQE-DDUYZKFLSA-N 1 1 339.483 3.753 20 30 EHEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H]1c1ccccc1 ZINC000437569178 1021956120 /nfs/dbraw/zinc/95/61/20/1021956120.db2.gz MYOMQGMXWPLDQE-DDUYZKFLSA-N 1 1 339.483 3.753 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000441068698 1021965786 /nfs/dbraw/zinc/96/57/86/1021965786.db2.gz CZFFNDJOKBUUIQ-BLIXFSHQSA-N 1 1 341.499 3.555 20 30 EHEDMO CCCCN(C)C(=O)C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000441157015 1022019822 /nfs/dbraw/zinc/01/98/22/1022019822.db2.gz MHVONBHVMSFRKX-UHFFFAOYSA-N 1 1 346.902 3.662 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000438494998 1022107762 /nfs/dbraw/zinc/10/77/62/1022107762.db2.gz UMTKPPBNQFXPLB-IIBYNOLFSA-N 1 1 333.435 3.549 20 30 EHEDMO C=C1CCC(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000894433284 1022280061 /nfs/dbraw/zinc/28/00/61/1022280061.db2.gz HTAFGARZMUZGPC-LEWJYISDSA-N 1 1 338.495 3.713 20 30 EHEDMO Cc1cnc(CC[N@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000157477265 1022298644 /nfs/dbraw/zinc/29/86/44/1022298644.db2.gz KIHHZTWQDDHVJD-UHFFFAOYSA-N 1 1 338.398 3.996 20 30 EHEDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000438110727 1022395747 /nfs/dbraw/zinc/39/57/47/1022395747.db2.gz RFVCSGDMBCKQJT-SJORKVTESA-N 1 1 341.373 3.562 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000438176634 1022440914 /nfs/dbraw/zinc/44/09/14/1022440914.db2.gz LIFQOTRIKZPQCR-HXUWFJFHSA-N 1 1 335.451 3.970 20 30 EHEDMO C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)[C@@H]1c1ccc(Cl)cc1 ZINC000328632349 1022451532 /nfs/dbraw/zinc/45/15/32/1022451532.db2.gz AHDPZERLHUNVHA-QILLFSRXSA-N 1 1 349.862 3.798 20 30 EHEDMO C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)[C@@H]1c1ccc(Cl)cc1 ZINC000328632349 1022451539 /nfs/dbraw/zinc/45/15/39/1022451539.db2.gz AHDPZERLHUNVHA-QILLFSRXSA-N 1 1 349.862 3.798 20 30 EHEDMO O=C(Nc1ccc(OC(F)F)nc1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000328699238 1022470128 /nfs/dbraw/zinc/47/01/28/1022470128.db2.gz MDWZBPDAMOPJFV-CYBMUJFWSA-N 1 1 325.359 3.678 20 30 EHEDMO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CC[C@@H](C#N)C1 ZINC000330434276 1022578377 /nfs/dbraw/zinc/57/83/77/1022578377.db2.gz PRGFNHRZRWKMFX-GHMZBOCLSA-N 1 1 326.227 3.556 20 30 EHEDMO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CC[C@@H](C#N)C1 ZINC000330434276 1022578385 /nfs/dbraw/zinc/57/83/85/1022578385.db2.gz PRGFNHRZRWKMFX-GHMZBOCLSA-N 1 1 326.227 3.556 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000330888101 1022692483 /nfs/dbraw/zinc/69/24/83/1022692483.db2.gz UBIMNTBKYLTVJW-ZJSJBZJDSA-N 1 1 341.499 3.555 20 30 EHEDMO CC[C@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000438502591 1022714622 /nfs/dbraw/zinc/71/46/22/1022714622.db2.gz COQMZTDLWMQMIV-MSOLQXFVSA-N 1 1 327.472 3.671 20 30 EHEDMO C[N@@H+](CCC(=O)N[C@@H](C#N)c1ccccc1Cl)C1CCCCC1 ZINC000548392328 1022779639 /nfs/dbraw/zinc/77/96/39/1022779639.db2.gz CEFJNNWLILDBAH-KRWDZBQOSA-N 1 1 333.863 3.675 20 30 EHEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000593942376 1033083712 /nfs/dbraw/zinc/08/37/12/1033083712.db2.gz ICBQQFYWFICUBL-KRWDZBQOSA-N 1 1 339.443 3.811 20 30 EHEDMO C=CC[C@@H]1[N@@H+](CCc2c(C)nc3sccn3c2=O)CCCC1(C)C ZINC000510776265 1023149211 /nfs/dbraw/zinc/14/92/11/1023149211.db2.gz HOSIQDVVTILVLJ-INIZCTEOSA-N 1 1 345.512 3.674 20 30 EHEDMO CCC[N@H+](CC#Cc1ccc(F)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000439032155 1023235084 /nfs/dbraw/zinc/23/50/84/1023235084.db2.gz CMUVTERYRZERIY-KRWDZBQOSA-N 1 1 338.426 3.916 20 30 EHEDMO CCC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000439032155 1023235093 /nfs/dbraw/zinc/23/50/93/1023235093.db2.gz CMUVTERYRZERIY-KRWDZBQOSA-N 1 1 338.426 3.916 20 30 EHEDMO N#Cc1csc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)n1 ZINC000518337335 1023239821 /nfs/dbraw/zinc/23/98/21/1023239821.db2.gz FKEHEZZSPBLGBR-GOSISDBHSA-N 1 1 341.480 3.788 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCCCC#N ZINC000593961670 1033127542 /nfs/dbraw/zinc/12/75/42/1033127542.db2.gz MLIZPFQMTGNJQE-QGZVFWFLSA-N 1 1 327.472 3.761 20 30 EHEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000581988891 1023424269 /nfs/dbraw/zinc/42/42/69/1023424269.db2.gz GXVHIJXRLFOPTH-AEFFLSMTSA-N 1 1 337.467 3.555 20 30 EHEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000581988891 1023424274 /nfs/dbraw/zinc/42/42/74/1023424274.db2.gz GXVHIJXRLFOPTH-AEFFLSMTSA-N 1 1 337.467 3.555 20 30 EHEDMO C=CC[N@H+](Cc1ccc(COC)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000535820070 1023786579 /nfs/dbraw/zinc/78/65/79/1023786579.db2.gz FYRYHMOPJYXIJJ-UHFFFAOYSA-N 1 1 326.396 3.929 20 30 EHEDMO C=CCNC(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000342062844 1023813138 /nfs/dbraw/zinc/81/31/38/1023813138.db2.gz NLZYLHKPNQDOGX-LJQANCHMSA-N 1 1 345.487 3.774 20 30 EHEDMO C[C@@H]1[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)CCC12CCOCC2 ZINC000329655995 1023990053 /nfs/dbraw/zinc/99/00/53/1023990053.db2.gz GANHQLNDQYEOHA-ZDUSSCGKSA-N 1 1 349.500 3.501 20 30 EHEDMO C[C@@H]1[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)CCC12CCOCC2 ZINC000329655995 1023990067 /nfs/dbraw/zinc/99/00/67/1023990067.db2.gz GANHQLNDQYEOHA-ZDUSSCGKSA-N 1 1 349.500 3.501 20 30 EHEDMO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000441533907 1024045012 /nfs/dbraw/zinc/04/50/12/1024045012.db2.gz OBFTUNYIQAJYHV-GOSISDBHSA-N 1 1 344.418 3.906 20 30 EHEDMO CCC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCCc2cccnc21 ZINC000548510658 1024062372 /nfs/dbraw/zinc/06/23/72/1024062372.db2.gz AOYDXFYNLLNRTO-IBGZPJMESA-N 1 1 345.450 3.891 20 30 EHEDMO C=CC[NH+](CC=C)CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000514111768 1024145769 /nfs/dbraw/zinc/14/57/69/1024145769.db2.gz BENMXUWZQNXQME-HXUWFJFHSA-N 1 1 342.483 3.813 20 30 EHEDMO CCO[C@H](C)c1ncc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)s1 ZINC000329802767 1024200886 /nfs/dbraw/zinc/20/08/86/1024200886.db2.gz JLOVXXLXGKOPRD-CHWSQXEVSA-N 1 1 337.489 3.562 20 30 EHEDMO O=C(C[NH+]1CCC(c2ncc[nH]2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000329830066 1024214147 /nfs/dbraw/zinc/21/41/47/1024214147.db2.gz JXIAILKTXBXEEL-UHFFFAOYSA-N 1 1 342.487 3.514 20 30 EHEDMO C[C@H](c1ccccc1Cl)N(C)C([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329940565 1024259569 /nfs/dbraw/zinc/25/95/69/1024259569.db2.gz GFYWTGPLWNFVOJ-ZIAGYGMSSA-N 1 1 346.862 3.706 20 30 EHEDMO C[C@H](c1ccccc1Cl)N(C)C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329940565 1024259580 /nfs/dbraw/zinc/25/95/80/1024259580.db2.gz GFYWTGPLWNFVOJ-ZIAGYGMSSA-N 1 1 346.862 3.706 20 30 EHEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC1(CC(C)C)CCC1 ZINC000330004586 1024284485 /nfs/dbraw/zinc/28/44/85/1024284485.db2.gz CSGUKYPRWLIPEO-UHFFFAOYSA-N 1 1 343.475 3.744 20 30 EHEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)nn2)C1 ZINC000895337971 1024320905 /nfs/dbraw/zinc/32/09/05/1024320905.db2.gz MWDAZUZSKBWZFZ-AWEZNQCLSA-N 1 1 332.448 3.612 20 30 EHEDMO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(c2ccsc2)CC1 ZINC000330154070 1024336107 /nfs/dbraw/zinc/33/61/07/1024336107.db2.gz XPPLKFCEVGYLHT-AWEZNQCLSA-N 1 1 346.500 3.955 20 30 EHEDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000330218395 1024358437 /nfs/dbraw/zinc/35/84/37/1024358437.db2.gz JHVVBQQFAFCUIO-WBMJQRKESA-N 1 1 329.444 3.599 20 30 EHEDMO CC[C@H]1OCCC[C@H]1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000330228527 1024362578 /nfs/dbraw/zinc/36/25/78/1024362578.db2.gz CMPUWHRFBCNFEF-TZMCWYRMSA-N 1 1 337.489 3.703 20 30 EHEDMO CC[C@H]1OCCC[C@H]1C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000330228527 1024362599 /nfs/dbraw/zinc/36/25/99/1024362599.db2.gz CMPUWHRFBCNFEF-TZMCWYRMSA-N 1 1 337.489 3.703 20 30 EHEDMO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]c1ncc(C2CCCCC2)s1 ZINC000330225356 1024363447 /nfs/dbraw/zinc/36/34/47/1024363447.db2.gz BBDMGJPRMYTXHV-CYBMUJFWSA-N 1 1 345.472 3.728 20 30 EHEDMO Cc1ccc([C@@]2(C)CC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)cc1 ZINC000434749639 1024400078 /nfs/dbraw/zinc/40/00/78/1024400078.db2.gz YVANYVQECGMGJT-VGSWGCGISA-N 1 1 347.462 3.857 20 30 EHEDMO CC(C)[C@@H](CO)[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000282048729 1024483546 /nfs/dbraw/zinc/48/35/46/1024483546.db2.gz RJXFACKUTHVBQD-HXUWFJFHSA-N 1 1 344.499 3.606 20 30 EHEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000434894882 1024486129 /nfs/dbraw/zinc/48/61/29/1024486129.db2.gz IDCSKSUEDPUIBA-UZLBHIALSA-N 1 1 333.435 3.765 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000434901474 1024492707 /nfs/dbraw/zinc/49/27/07/1024492707.db2.gz WDVLYWKAOCFZBP-QINHECLXSA-N 1 1 333.435 3.763 20 30 EHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccccc1)C1CC1 ZINC000514526644 1024541541 /nfs/dbraw/zinc/54/15/41/1024541541.db2.gz WTODIIIYKHHFKP-OAQYLSRUSA-N 1 1 337.463 3.819 20 30 EHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000435040650 1024565355 /nfs/dbraw/zinc/56/53/55/1024565355.db2.gz MJFIQFCXQYVUKH-LRQRDZAKSA-N 1 1 348.446 3.725 20 30 EHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000435040650 1024565364 /nfs/dbraw/zinc/56/53/64/1024565364.db2.gz MJFIQFCXQYVUKH-LRQRDZAKSA-N 1 1 348.446 3.725 20 30 EHEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000281177762 1024706836 /nfs/dbraw/zinc/70/68/36/1024706836.db2.gz BPBAZZMGEBUNQH-UXHICEINSA-N 1 1 344.499 3.630 20 30 EHEDMO C=CCCCS(=O)(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000427781119 1024790698 /nfs/dbraw/zinc/79/06/98/1024790698.db2.gz HZWNHUALZKKCTG-INIZCTEOSA-N 1 1 336.501 3.769 20 30 EHEDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)[nH]1 ZINC000277379866 1024836542 /nfs/dbraw/zinc/83/65/42/1024836542.db2.gz XNWKQHRROFVYGJ-MJBXVCDLSA-N 1 1 327.432 3.632 20 30 EHEDMO C=CC[NH+]1CCN(Cc2c(F)cc(Cl)cc2Br)CC1 ZINC001141842528 1024851209 /nfs/dbraw/zinc/85/12/09/1024851209.db2.gz XJEZELYYMORONJ-UHFFFAOYSA-N 1 1 347.659 3.545 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)ccc1OC ZINC000895843452 1024891128 /nfs/dbraw/zinc/89/11/28/1024891128.db2.gz JCNPHLHNIFJVTL-ROUUACIJSA-N 1 1 331.456 3.651 20 30 EHEDMO N#Cc1csc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)c1 ZINC000092093362 1025011646 /nfs/dbraw/zinc/01/16/46/1025011646.db2.gz QPDJEOWRCMDLOS-UHFFFAOYSA-N 1 1 334.391 3.941 20 30 EHEDMO N#Cc1cc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000435599593 1025037790 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/nfs/dbraw/zinc/01/24/88/1027012488.db2.gz NLMICHGARWPBFO-HNNXBMFYSA-N 1 1 326.444 3.849 20 30 EHEDMO COc1cc(C#N)ccc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000501217000 1027141643 /nfs/dbraw/zinc/14/16/43/1027141643.db2.gz JBYVPORZQLDRMS-UHFFFAOYSA-N 1 1 341.842 3.542 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H](C)Cc1ccsc1 ZINC000187795935 1027195933 /nfs/dbraw/zinc/19/59/33/1027195933.db2.gz BPPZKILJBSWMSM-CYBMUJFWSA-N 1 1 347.509 3.963 20 30 EHEDMO CC(C)(C)c1csc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1C#N ZINC000888216721 1027615917 /nfs/dbraw/zinc/61/59/17/1027615917.db2.gz FNNTVQRZZYRRAI-QWHCGFSZSA-N 1 1 346.500 3.666 20 30 EHEDMO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046529844 1027728428 /nfs/dbraw/zinc/72/84/28/1027728428.db2.gz KRKXYWUXANUWCB-IRXDYDNUSA-N 1 1 335.451 3.564 20 30 EHEDMO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046529844 1027728445 /nfs/dbraw/zinc/72/84/45/1027728445.db2.gz KRKXYWUXANUWCB-IRXDYDNUSA-N 1 1 335.451 3.564 20 30 EHEDMO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@H]1CCOC1 ZINC000502144762 1027836973 /nfs/dbraw/zinc/83/69/73/1027836973.db2.gz DCNFNVLDZDUQHJ-GFCCVEGCSA-N 1 1 328.225 3.613 20 30 EHEDMO C[C@@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1ccc(OCC#N)cc1 ZINC000359864418 1027859398 /nfs/dbraw/zinc/85/93/98/1027859398.db2.gz BZUZCQAAZHTVBG-BZNIZROVSA-N 1 1 330.334 3.651 20 30 EHEDMO C=C(C)CCNC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000455312165 1027993088 /nfs/dbraw/zinc/99/30/88/1027993088.db2.gz GJWJVAVJMRZYCT-HKUYNNGSSA-N 1 1 329.488 3.553 20 30 EHEDMO C=CC[N@@H+](Cc1cc(C(=O)OC)oc1C)Cc1ccc(OC)cc1 ZINC000143435067 1028017904 /nfs/dbraw/zinc/01/79/04/1028017904.db2.gz PYODVZIYVMBIQX-UHFFFAOYSA-N 1 1 329.396 3.571 20 30 EHEDMO C=CC[N@H+](Cc1cc(C(=O)OC)oc1C)Cc1ccc(OC)cc1 ZINC000143435067 1028017922 /nfs/dbraw/zinc/01/79/22/1028017922.db2.gz PYODVZIYVMBIQX-UHFFFAOYSA-N 1 1 329.396 3.571 20 30 EHEDMO C=CC[N@@H+](C)Cc1cc(Br)cc(Br)c1OC ZINC000428374088 1028151028 /nfs/dbraw/zinc/15/10/28/1028151028.db2.gz MYKUURMYEGRKPR-UHFFFAOYSA-N 1 1 349.066 3.838 20 30 EHEDMO C=CC[N@H+](C)Cc1cc(Br)cc(Br)c1OC ZINC000428374088 1028151032 /nfs/dbraw/zinc/15/10/32/1028151032.db2.gz MYKUURMYEGRKPR-UHFFFAOYSA-N 1 1 349.066 3.838 20 30 EHEDMO C[C@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1O ZINC000444684037 1028153232 /nfs/dbraw/zinc/15/32/32/1028153232.db2.gz KADAVPDHRXHXRL-GHTZIAJQSA-N 1 1 334.463 3.589 20 30 EHEDMO COc1cccc(C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]2CCCO2)c1 ZINC000053221290 1028166731 /nfs/dbraw/zinc/16/67/31/1028166731.db2.gz ULPGKNRTRRJZAA-NRFANRHFSA-N 1 1 336.435 3.748 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1cc(Cl)ccc1F ZINC000444696061 1028170594 /nfs/dbraw/zinc/17/05/94/1028170594.db2.gz UWEAPWJQVCZLNY-UHFFFAOYSA-N 1 1 345.805 3.811 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1cc(Cl)ccc1F ZINC000444703933 1028180772 /nfs/dbraw/zinc/18/07/72/1028180772.db2.gz KMWKDMPVFIXKQH-UHFFFAOYSA-N 1 1 348.805 3.870 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000444703933 1028180789 /nfs/dbraw/zinc/18/07/89/1028180789.db2.gz KMWKDMPVFIXKQH-UHFFFAOYSA-N 1 1 348.805 3.870 20 30 EHEDMO COc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000353624810 1028201241 /nfs/dbraw/zinc/20/12/41/1028201241.db2.gz DWTBNHBKYHGHQW-LAUBAEHRSA-N 1 1 349.478 3.710 20 30 EHEDMO COc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000353624810 1028201259 /nfs/dbraw/zinc/20/12/59/1028201259.db2.gz DWTBNHBKYHGHQW-LAUBAEHRSA-N 1 1 349.478 3.710 20 30 EHEDMO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc(C#N)c(F)c2)c1 ZINC000421329313 1028272737 /nfs/dbraw/zinc/27/27/37/1028272737.db2.gz VEXDXKKRRJWGIX-UHFFFAOYSA-N 1 1 325.431 3.827 20 30 EHEDMO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc(C#N)c(F)c2)c1 ZINC000421329313 1028272753 /nfs/dbraw/zinc/27/27/53/1028272753.db2.gz VEXDXKKRRJWGIX-UHFFFAOYSA-N 1 1 325.431 3.827 20 30 EHEDMO C=CC[N@H+](CCC(=O)Nc1ccc(OC)cc1)Cc1cccs1 ZINC000055899565 1028299376 /nfs/dbraw/zinc/29/93/76/1028299376.db2.gz JQVDVFROOKEUQT-UHFFFAOYSA-N 1 1 330.453 3.774 20 30 EHEDMO COc1ccc(OCC[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502514163 1028303138 /nfs/dbraw/zinc/30/31/38/1028303138.db2.gz ZDFYLVUGSUAPNY-UHFFFAOYSA-N 1 1 334.419 3.735 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H](CCO)CC2)ccc1OC ZINC000421402985 1028351398 /nfs/dbraw/zinc/35/13/98/1028351398.db2.gz WKTRWSKBKWHXAV-QGZVFWFLSA-N 1 1 333.472 3.635 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1OC ZINC000428382603 1028391330 /nfs/dbraw/zinc/39/13/30/1028391330.db2.gz JSPWVXKXQCGIAE-GOSISDBHSA-N 1 1 331.456 3.651 20 30 EHEDMO C=CCN(Cc1ccccc1F)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000074791663 1028634081 /nfs/dbraw/zinc/63/40/81/1028634081.db2.gz MVVKEQQRXFCZAZ-AYHJJNSGSA-N 1 1 345.462 3.539 20 30 EHEDMO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237556514 1028657349 /nfs/dbraw/zinc/65/73/49/1028657349.db2.gz VTEYGKGBASUCLK-GUDVDZBRSA-N 1 1 343.515 3.825 20 30 EHEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cnccc2C)no1 ZINC001211975763 1028725102 /nfs/dbraw/zinc/72/51/02/1028725102.db2.gz PHUZAZFFAQMITE-RDJZCZTQSA-N 1 1 344.459 3.518 20 30 EHEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]2CCCC[C@H]21)c1ccccc1 ZINC000247745737 1028814645 /nfs/dbraw/zinc/81/46/45/1028814645.db2.gz PVEGSQPDOMWUHI-PKOBYXMFSA-N 1 1 325.456 3.588 20 30 EHEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000245559004 1028837856 /nfs/dbraw/zinc/83/78/56/1028837856.db2.gz TYSUIFYFLWNSGM-HZPDHXFCSA-N 1 1 331.847 3.874 20 30 EHEDMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000245559004 1028837867 /nfs/dbraw/zinc/83/78/67/1028837867.db2.gz TYSUIFYFLWNSGM-HZPDHXFCSA-N 1 1 331.847 3.874 20 30 EHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000076070337 1028872954 /nfs/dbraw/zinc/87/29/54/1028872954.db2.gz FIHCXFJYHDBPOM-QZTJIDSGSA-N 1 1 345.512 3.539 20 30 EHEDMO C=CCn1cc(C[NH2+][C@H](CC)c2ccc(OC(F)(F)F)cc2)nn1 ZINC000424298869 1028940570 /nfs/dbraw/zinc/94/05/70/1028940570.db2.gz UFROZPMDHHGUGV-OAHLLOKOSA-N 1 1 340.349 3.604 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c1C ZINC000419336764 1028961510 /nfs/dbraw/zinc/96/15/10/1028961510.db2.gz AOQKCGQVHJTRBF-BQFCYCMXSA-N 1 1 327.472 3.526 20 30 EHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNCc2ccc(C#N)c(OC)c2)C1 ZINC000440815486 1028991124 /nfs/dbraw/zinc/99/11/24/1028991124.db2.gz UMXUOWXDHMCHCI-INIZCTEOSA-N 1 1 329.488 3.557 20 30 EHEDMO CC[C@H]1CCCN(C(C)(C)C[NH2+]Cc2ccc(C#N)c(OC)c2)C1 ZINC000440815486 1028991140 /nfs/dbraw/zinc/99/11/40/1028991140.db2.gz UMXUOWXDHMCHCI-INIZCTEOSA-N 1 1 329.488 3.557 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)o1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000503113672 1029073583 /nfs/dbraw/zinc/07/35/83/1029073583.db2.gz WIFQZRNPNYJODU-HNNXBMFYSA-N 1 1 325.412 3.781 20 30 EHEDMO CC[C@H](C)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000532966041 1029112257 /nfs/dbraw/zinc/11/22/57/1029112257.db2.gz WBRSOKXVSOKXEH-ZDUSSCGKSA-N 1 1 333.501 3.805 20 30 EHEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000532977560 1029132613 /nfs/dbraw/zinc/13/26/13/1029132613.db2.gz SJPMMWLQYJFWQF-SJLPKXTDSA-N 1 1 333.435 3.683 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1F ZINC000191911077 1029151691 /nfs/dbraw/zinc/15/16/91/1029151691.db2.gz WMLOHYOHZGTBHX-SFHVURJKSA-N 1 1 338.382 3.806 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1F ZINC000191911077 1029151715 /nfs/dbraw/zinc/15/17/15/1029151715.db2.gz WMLOHYOHZGTBHX-SFHVURJKSA-N 1 1 338.382 3.806 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCCC2(CCCC2)C1 ZINC000445876733 1029205856 /nfs/dbraw/zinc/20/58/56/1029205856.db2.gz YZMCQWYOFIGEJD-SFHVURJKSA-N 1 1 339.483 3.978 20 30 EHEDMO COc1ccc(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1C#N ZINC000533079920 1029283100 /nfs/dbraw/zinc/28/31/00/1029283100.db2.gz RMEUDAPTJXYISJ-HKUYNNGSSA-N 1 1 341.499 3.653 20 30 EHEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000424832929 1029374169 /nfs/dbraw/zinc/37/41/69/1029374169.db2.gz OFENHLUOBIGVHA-RBUKOAKNSA-N 1 1 326.484 3.569 20 30 EHEDMO CCOc1ccc(C[N@@H+](CCCCC#N)CCCn2ccnc2)cc1 ZINC000272371316 1029437815 /nfs/dbraw/zinc/43/78/15/1029437815.db2.gz PODXPGKIHRXZEW-UHFFFAOYSA-N 1 1 340.471 3.868 20 30 EHEDMO C=CC[N@@H+](CC(=O)NCc1ccc(CC)s1)Cc1ccccc1 ZINC000524753591 1029471312 /nfs/dbraw/zinc/47/13/12/1029471312.db2.gz CIFFAGVCOLERHL-UHFFFAOYSA-N 1 1 328.481 3.615 20 30 EHEDMO C=CC[N@H+](CC(=O)NCc1ccc(CC)s1)Cc1ccccc1 ZINC000524753591 1029471317 /nfs/dbraw/zinc/47/13/17/1029471317.db2.gz CIFFAGVCOLERHL-UHFFFAOYSA-N 1 1 328.481 3.615 20 30 EHEDMO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000192059147 1029487172 /nfs/dbraw/zinc/48/71/72/1029487172.db2.gz LEQIIALRONXPSV-HXUWFJFHSA-N 1 1 326.415 3.716 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1csc2ccccc12 ZINC000533239740 1029499502 /nfs/dbraw/zinc/49/95/02/1029499502.db2.gz HUCKPCIKTBKTHZ-OAHLLOKOSA-N 1 1 328.481 3.922 20 30 EHEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C ZINC000729809975 1029562034 /nfs/dbraw/zinc/56/20/34/1029562034.db2.gz QBRBVAFHFJZUSZ-MSOLQXFVSA-N 1 1 343.467 3.527 20 30 EHEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC[C@H]1c1ccccc1 ZINC000533290600 1029583279 /nfs/dbraw/zinc/58/32/79/1029583279.db2.gz IPHMSUBYNOCIAU-OXQOHEQNSA-N 1 1 333.435 3.622 20 30 EHEDMO Cc1ccc(CNc2ncc(C#N)cc2Cl)c(N2CCCC2)[nH+]1 ZINC000611584036 1029584629 /nfs/dbraw/zinc/58/46/29/1029584629.db2.gz SPUHLJQLWMKEFW-UHFFFAOYSA-N 1 1 327.819 3.522 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCC2(CCCCC2)C1 ZINC000524907490 1029602675 /nfs/dbraw/zinc/60/26/75/1029602675.db2.gz LCTBWMPJHHAVIF-UHFFFAOYSA-N 1 1 328.456 3.992 20 30 EHEDMO CSc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026325242 1029645468 /nfs/dbraw/zinc/64/54/68/1029645468.db2.gz CAKFAMPULJORSO-AWEZNQCLSA-N 1 1 339.464 3.739 20 30 EHEDMO CSc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026325242 1029645476 /nfs/dbraw/zinc/64/54/76/1029645476.db2.gz CAKFAMPULJORSO-AWEZNQCLSA-N 1 1 339.464 3.739 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1F ZINC000192470695 1029682145 /nfs/dbraw/zinc/68/21/45/1029682145.db2.gz HUAVWTXJOORJOE-UHFFFAOYSA-N 1 1 340.373 3.931 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000446722953 1029772947 /nfs/dbraw/zinc/77/29/47/1029772947.db2.gz LIIVWXCXLRSDFW-OAQYLSRUSA-N 1 1 336.435 3.609 20 30 EHEDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455725896 1029860625 /nfs/dbraw/zinc/86/06/25/1029860625.db2.gz DNBSPXZDEDHEBK-CYBMUJFWSA-N 1 1 336.867 3.648 20 30 EHEDMO O[C@@H]([C@@H]1CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1)C(F)(F)F ZINC000449671501 1029864274 /nfs/dbraw/zinc/86/42/74/1029864274.db2.gz KMOUZCQVMCYZML-SKDRFNHKSA-N 1 1 345.258 3.590 20 30 EHEDMO O[C@@H]([C@@H]1CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1)C(F)(F)F ZINC000449671501 1029864282 /nfs/dbraw/zinc/86/42/82/1029864282.db2.gz KMOUZCQVMCYZML-SKDRFNHKSA-N 1 1 345.258 3.590 20 30 EHEDMO C=CCCCCCn1cnc2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000447306833 1030078952 /nfs/dbraw/zinc/07/89/52/1030078952.db2.gz VRVQXNXKGFBEAF-UHFFFAOYSA-N 1 1 337.467 3.548 20 30 EHEDMO C=CCCCCCn1cnc2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000447306833 1030078973 /nfs/dbraw/zinc/07/89/73/1030078973.db2.gz VRVQXNXKGFBEAF-UHFFFAOYSA-N 1 1 337.467 3.548 20 30 EHEDMO N#Cc1cccc(NC(=O)C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000138800263 1030158965 /nfs/dbraw/zinc/15/89/65/1030158965.db2.gz ZGLDGFLKMTVILE-FQEVSTJZSA-N 1 1 331.419 3.649 20 30 EHEDMO C[C@H]1[C@@H](Nc2cc(C#N)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000385203125 1030335320 /nfs/dbraw/zinc/33/53/20/1030335320.db2.gz GSZOVKMZPWZNEB-YOEHRIQHSA-N 1 1 336.395 3.541 20 30 EHEDMO CC[N@@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)C[C@H](C)C#N ZINC000091984106 1030348862 /nfs/dbraw/zinc/34/88/62/1030348862.db2.gz UIMUKMFGPLLSDB-QGZVFWFLSA-N 1 1 345.450 3.916 20 30 EHEDMO CC[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)C[C@H](C)C#N ZINC000091984106 1030348883 /nfs/dbraw/zinc/34/88/83/1030348883.db2.gz UIMUKMFGPLLSDB-QGZVFWFLSA-N 1 1 345.450 3.916 20 30 EHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1OCCOC ZINC000092504495 1030471849 /nfs/dbraw/zinc/47/18/49/1030471849.db2.gz IYKJQJBSZXQRBL-UHFFFAOYSA-N 1 1 336.435 3.772 20 30 EHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1OCCOC ZINC000092504495 1030471857 /nfs/dbraw/zinc/47/18/57/1030471857.db2.gz IYKJQJBSZXQRBL-UHFFFAOYSA-N 1 1 336.435 3.772 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000526941859 1030512458 /nfs/dbraw/zinc/51/24/58/1030512458.db2.gz MMBOSTMITSIWRT-IUYMFKLXSA-N 1 1 331.463 3.950 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000526941859 1030512472 /nfs/dbraw/zinc/51/24/72/1030512472.db2.gz MMBOSTMITSIWRT-IUYMFKLXSA-N 1 1 331.463 3.950 20 30 EHEDMO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CCC(=O)N(C)CCC#N ZINC000092799052 1030523312 /nfs/dbraw/zinc/52/33/12/1030523312.db2.gz OTOILDUNRBTOPI-GJZGRUSLSA-N 1 1 335.879 3.526 20 30 EHEDMO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000526975540 1030532163 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EHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111306677 1030687289 /nfs/dbraw/zinc/68/72/89/1030687289.db2.gz BSADYAFDFGYXSP-ALKREAHSSA-N 1 1 347.890 3.572 20 30 EHEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]1C ZINC000482870790 1030771923 /nfs/dbraw/zinc/77/19/23/1030771923.db2.gz VVTBJMQRBOBMCP-ZIAGYGMSSA-N 1 1 345.512 3.948 20 30 EHEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccc(OC)c(OC)c1 ZINC000448261870 1030904923 /nfs/dbraw/zinc/90/49/23/1030904923.db2.gz RXWJYZVXNLLABU-UHFFFAOYSA-N 1 1 327.399 3.717 20 30 EHEDMO CC[C@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(F)cc1F ZINC000161006953 1031233196 /nfs/dbraw/zinc/23/31/96/1031233196.db2.gz ZTMRTPKCULXWDC-DYVFJYSZSA-N 1 1 349.425 3.737 20 30 EHEDMO CC[C@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(F)cc1F ZINC000161006699 1031233991 /nfs/dbraw/zinc/23/39/91/1031233991.db2.gz ZTMRTPKCULXWDC-GUYCJALGSA-N 1 1 349.425 3.737 20 30 EHEDMO N#Cc1ccc(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)cc1F ZINC000483953841 1031397906 /nfs/dbraw/zinc/39/79/06/1031397906.db2.gz JNSLVXOCXDHPTF-NRFANRHFSA-N 1 1 338.426 3.959 20 30 EHEDMO CC[N@H+](CC(=O)Nc1ccc(F)cc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000042741401 1031462145 /nfs/dbraw/zinc/46/21/45/1031462145.db2.gz QVZBOGLJLCYQRE-CYBMUJFWSA-N 1 1 343.377 3.858 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1ccc(F)cc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000042741401 1031462154 /nfs/dbraw/zinc/46/21/54/1031462154.db2.gz QVZBOGLJLCYQRE-CYBMUJFWSA-N 1 1 343.377 3.858 20 30 EHEDMO COc1ccc(F)c(N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000484291142 1031521788 /nfs/dbraw/zinc/52/17/88/1031521788.db2.gz AOOLOPHNBMGKTO-OAHLLOKOSA-N 1 1 339.414 3.589 20 30 EHEDMO COc1ccc(F)c(N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000484329465 1031538706 /nfs/dbraw/zinc/53/87/06/1031538706.db2.gz SEHZBFOQEKZEFM-OAHLLOKOSA-N 1 1 339.414 3.589 20 30 EHEDMO CC1(C)C[N@@H+](CCOc2ccccc2C#N)CC[C@H]1C(F)(F)F ZINC000484358453 1031543704 /nfs/dbraw/zinc/54/37/04/1031543704.db2.gz SIUWBSOGJDMROC-OAHLLOKOSA-N 1 1 326.362 3.847 20 30 EHEDMO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CC[C@H](C#N)C1 ZINC000278634454 1031747136 /nfs/dbraw/zinc/74/71/36/1031747136.db2.gz OKVXNXVIKZJIFC-RYUDHWBXSA-N 1 1 340.254 3.946 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CC[C@H](C#N)C1 ZINC000278634454 1031747153 /nfs/dbraw/zinc/74/71/53/1031747153.db2.gz OKVXNXVIKZJIFC-RYUDHWBXSA-N 1 1 340.254 3.946 20 30 EHEDMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537977825 1032055264 /nfs/dbraw/zinc/05/52/64/1032055264.db2.gz WMZGNJRATFNDAW-YHWJGBFKSA-N 1 1 341.499 3.567 20 30 EHEDMO COc1ccc([C@H]2CCCCC[N@H+]2C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598587768 1033313887 /nfs/dbraw/zinc/31/38/87/1033313887.db2.gz VTYWTKJUIVVNKU-IEBWSBKVSA-N 1 1 330.472 3.913 20 30 EHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000598588058 1033315397 /nfs/dbraw/zinc/31/53/97/1033315397.db2.gz YPFIKEHVDDOZAD-HIFRSBDPSA-N 1 1 329.469 3.734 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000728595261 1033320148 /nfs/dbraw/zinc/32/01/48/1033320148.db2.gz VXXODTXNIZTMND-UHFFFAOYSA-N 1 1 349.415 3.700 20 30 EHEDMO C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598617062 1033329289 /nfs/dbraw/zinc/32/92/89/1033329289.db2.gz PJPSJPDRWRUHEN-UKRRQHHQSA-N 1 1 342.405 3.869 20 30 EHEDMO C[N@@H+](CCC(=O)NC1(c2ccc(C#N)cc2)CCC1)C1CCCCC1 ZINC000594404078 1033337984 /nfs/dbraw/zinc/33/79/84/1033337984.db2.gz SVEGGHZWLWPMGY-UHFFFAOYSA-N 1 1 339.483 3.708 20 30 EHEDMO C[C@H](CC(C)(C)C#N)[NH2+]Cc1csc(NC(=O)OC(C)(C)C)n1 ZINC000898103476 1033349789 /nfs/dbraw/zinc/34/97/89/1033349789.db2.gz AIABGPOLDFHZOX-LLVKDONJSA-N 1 1 338.477 3.908 20 30 EHEDMO C=CCOc1ccc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000061003165 1033418966 /nfs/dbraw/zinc/41/89/66/1033418966.db2.gz GZNRFJJZPCFGRF-UHFFFAOYSA-N 1 1 332.488 3.659 20 30 EHEDMO C[N@@H+](CC#Cc1ccccc1Cl)CCOCc1ccc(C#N)cc1 ZINC000588978905 1033444894 /nfs/dbraw/zinc/44/48/94/1033444894.db2.gz XHOMSIGKFUFBDM-UHFFFAOYSA-N 1 1 338.838 3.712 20 30 EHEDMO C[N@H+](CC#Cc1ccccc1Cl)CCOCc1ccc(C#N)cc1 ZINC000588978905 1033444906 /nfs/dbraw/zinc/44/49/06/1033444906.db2.gz XHOMSIGKFUFBDM-UHFFFAOYSA-N 1 1 338.838 3.712 20 30 EHEDMO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1Br ZINC000611939272 1033453357 /nfs/dbraw/zinc/45/33/57/1033453357.db2.gz GRFUKWAXNMSWQI-LBPRGKRZSA-N 1 1 330.229 3.875 20 30 EHEDMO N#CC1(Cc2cn([C@H]3CC[N@@H+](Cc4ccccc4)C3)nn2)CCCCC1 ZINC000594649851 1033471393 /nfs/dbraw/zinc/47/13/93/1033471393.db2.gz OKHDUAPYUCMABF-FQEVSTJZSA-N 1 1 349.482 3.742 20 30 EHEDMO C[C@@H](CCN(C)Cc1cccc(C#N)c1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000431605326 1033495358 /nfs/dbraw/zinc/49/53/58/1033495358.db2.gz RDRZFYKLEKOJLV-SFHVURJKSA-N 1 1 346.478 3.772 20 30 EHEDMO C[C@@H](CC[N@H+](C)Cc1cccc(C#N)c1)N(C)Cc1cccc(C#N)c1 ZINC000431605326 1033495367 /nfs/dbraw/zinc/49/53/67/1033495367.db2.gz RDRZFYKLEKOJLV-SFHVURJKSA-N 1 1 346.478 3.772 20 30 EHEDMO C[C@@H](CC[N@@H+](C)Cc1cccc(C#N)c1)N(C)Cc1cccc(C#N)c1 ZINC000431605326 1033495375 /nfs/dbraw/zinc/49/53/75/1033495375.db2.gz RDRZFYKLEKOJLV-SFHVURJKSA-N 1 1 346.478 3.772 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC2(CCCC2)C1 ZINC000173827137 1033538139 /nfs/dbraw/zinc/53/81/39/1033538139.db2.gz XPGVKKBHFHWILN-CYBMUJFWSA-N 1 1 343.496 3.702 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC2(CCCC2)C1 ZINC000173827137 1033538149 /nfs/dbraw/zinc/53/81/49/1033538149.db2.gz XPGVKKBHFHWILN-CYBMUJFWSA-N 1 1 343.496 3.702 20 30 EHEDMO COc1cc(OC)c(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1F ZINC000593637373 1033560917 /nfs/dbraw/zinc/56/09/17/1033560917.db2.gz ICAKQMWGTAOULZ-ZDUSSCGKSA-N 1 1 328.387 3.908 20 30 EHEDMO COc1cc(OC)c(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1F ZINC000593637373 1033560923 /nfs/dbraw/zinc/56/09/23/1033560923.db2.gz ICAKQMWGTAOULZ-ZDUSSCGKSA-N 1 1 328.387 3.908 20 30 EHEDMO COc1ccc([C@H](C[NH+](C)C)NCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594941404 1033589623 /nfs/dbraw/zinc/58/96/23/1033589623.db2.gz SKQRSOHUFVNKPF-NRFANRHFSA-N 1 1 349.478 3.643 20 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20 30 EHEDMO CC(C)([NH2+]Cc1ccncc1Br)c1cccc(C#N)c1 ZINC000599462090 1033940605 /nfs/dbraw/zinc/94/06/05/1033940605.db2.gz MRAOFEZOEIKPGS-UHFFFAOYSA-N 1 1 330.229 3.741 20 30 EHEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000599526975 1033987997 /nfs/dbraw/zinc/98/79/97/1033987997.db2.gz ZDCUIPQVUMGQSQ-HZPDHXFCSA-N 1 1 343.496 3.775 20 30 EHEDMO N#CC1(C[N@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)CC1 ZINC000599526107 1034000098 /nfs/dbraw/zinc/00/00/98/1034000098.db2.gz DZIWPYFHLSZBIR-CQSZACIVSA-N 1 1 337.286 3.919 20 30 EHEDMO N#CC1(C[N@@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)CC1 ZINC000599526107 1034000110 /nfs/dbraw/zinc/00/01/10/1034000110.db2.gz DZIWPYFHLSZBIR-CQSZACIVSA-N 1 1 337.286 3.919 20 30 EHEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000593125884 1034011358 /nfs/dbraw/zinc/01/13/58/1034011358.db2.gz PXSFRQPPQKAPFK-FKBYEOEOSA-N 1 1 348.446 3.932 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599583936 1034025383 /nfs/dbraw/zinc/02/53/83/1034025383.db2.gz SWOQNVLMBBUMLS-CRAIPNDOSA-N 1 1 328.456 3.552 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000595867695 1034030659 /nfs/dbraw/zinc/03/06/59/1034030659.db2.gz ODVFBPHPWAGVAQ-GOSISDBHSA-N 1 1 330.378 3.589 20 30 EHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+](C1CC1)C1CC1 ZINC000599599522 1034043054 /nfs/dbraw/zinc/04/30/54/1034043054.db2.gz LCOJIIUHVDPYBL-ZDUSSCGKSA-N 1 1 329.469 3.504 20 30 EHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1nc2ncccc2cc1C#N ZINC000596075332 1034070108 /nfs/dbraw/zinc/07/01/08/1034070108.db2.gz HKHIENPBYRAQSG-UHFFFAOYSA-N 1 1 345.450 3.954 20 30 EHEDMO Cc1cc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc(C#N)c1[N+](=O)[O-] ZINC000596081806 1034074744 /nfs/dbraw/zinc/07/47/44/1034074744.db2.gz LWBJICBVPUNVFS-HLLBOEOZSA-N 1 1 342.443 3.617 20 30 EHEDMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677951 1034082750 /nfs/dbraw/zinc/08/27/50/1034082750.db2.gz NPTIDUZTPUZPOO-UHFFFAOYSA-N 1 1 342.446 3.805 20 30 EHEDMO C[C@@H]1C[C@H](Nc2nc(C#N)c(Cl)s2)CC[N@H+]1Cc1ccccc1 ZINC000596153031 1034094563 /nfs/dbraw/zinc/09/45/63/1034094563.db2.gz MNDGZQFDBNWFIN-TZMCWYRMSA-N 1 1 346.887 3.555 20 30 EHEDMO C[C@H]1C[C@@H](Nc2nc(C#N)c(Cl)s2)CC[N@H+]1Cc1ccccc1 ZINC000596153027 1034094614 /nfs/dbraw/zinc/09/46/14/1034094614.db2.gz MNDGZQFDBNWFIN-JSGCOSHPSA-N 1 1 346.887 3.555 20 30 EHEDMO CC(C)n1ncc2cc(C[N@@H+]3CCc4c(CC#N)cccc4C3)cnc21 ZINC000599679463 1034109084 /nfs/dbraw/zinc/10/90/84/1034109084.db2.gz SSZYAIBTQMJXTA-UHFFFAOYSA-N 1 1 345.450 3.637 20 30 EHEDMO CC(C)n1ncc2cc(C[N@H+]3CCc4c(CC#N)cccc4C3)cnc21 ZINC000599679463 1034109099 /nfs/dbraw/zinc/10/90/99/1034109099.db2.gz SSZYAIBTQMJXTA-UHFFFAOYSA-N 1 1 345.450 3.637 20 30 EHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3OC)C2)cc1F ZINC000599680622 1034109985 /nfs/dbraw/zinc/10/99/85/1034109985.db2.gz VCTVZEAWHGEJRL-INIZCTEOSA-N 1 1 340.398 3.704 20 30 EHEDMO Cc1ccc([C@H](C)[N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)c(C)c1 ZINC000604080779 1034186599 /nfs/dbraw/zinc/18/65/99/1034186599.db2.gz DLYIXPVHKDHCGH-HKUYNNGSSA-N 1 1 338.451 3.608 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2cnn3ccccc23)cc1 ZINC000255710862 1034247816 /nfs/dbraw/zinc/24/78/16/1034247816.db2.gz UOTQDXGMELLVKK-YFHOEESVSA-N 1 1 328.375 3.725 20 30 EHEDMO CCN(C(=O)N[C@H](CCCC#N)c1ccccc1)[C@@H]1CC[N@@H+](CC)C1 ZINC000596605365 1034316743 /nfs/dbraw/zinc/31/67/43/1034316743.db2.gz AYYHZPUAKWYBLL-RTBURBONSA-N 1 1 342.487 3.547 20 30 EHEDMO CCCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)c1ccccc1 ZINC000604494849 1034400917 /nfs/dbraw/zinc/40/09/17/1034400917.db2.gz CADFGGVXLHZLKQ-PXNSSMCTSA-N 1 1 329.488 3.904 20 30 EHEDMO N#CC1(c2ccc(C[N@H+]3CCO[C@]4(CCc5ccccc54)C3)cc2)CC1 ZINC000597012681 1034491864 /nfs/dbraw/zinc/49/18/64/1034491864.db2.gz YSXZFZRZZGPEPN-HSZRJFAPSA-N 1 1 344.458 3.916 20 30 EHEDMO N#CC1(c2ccc(C[N@H+]3CC[C@]4(C3)OCc3ccccc34)cc2)CC1 ZINC000597089224 1034538519 /nfs/dbraw/zinc/53/85/19/1034538519.db2.gz VWJJLRLJVGELHL-JOCHJYFZSA-N 1 1 330.431 3.873 20 30 EHEDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1CC1(C#N)CCC1 ZINC000450594720 1034567145 /nfs/dbraw/zinc/56/71/45/1034567145.db2.gz DBPFVRGXXHOOAU-FXAWDEMLSA-N 1 1 340.515 3.616 20 30 EHEDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CC1(C#N)CCC1 ZINC000450594720 1034567153 /nfs/dbraw/zinc/56/71/53/1034567153.db2.gz DBPFVRGXXHOOAU-FXAWDEMLSA-N 1 1 340.515 3.616 20 30 EHEDMO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CC1(C#N)CCC1 ZINC000450594720 1034567162 /nfs/dbraw/zinc/56/71/62/1034567162.db2.gz DBPFVRGXXHOOAU-FXAWDEMLSA-N 1 1 340.515 3.616 20 30 EHEDMO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CC1(C#N)CCC1 ZINC000450594720 1034567164 /nfs/dbraw/zinc/56/71/64/1034567164.db2.gz DBPFVRGXXHOOAU-FXAWDEMLSA-N 1 1 340.515 3.616 20 30 EHEDMO Cc1[nH+]cc(CN(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)n1C ZINC000597160680 1034572426 /nfs/dbraw/zinc/57/24/26/1034572426.db2.gz LLPBDNDADMFGCI-LBPRGKRZSA-N 1 1 336.361 3.662 20 30 EHEDMO N#CCC1C[NH+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000597192905 1034576670 /nfs/dbraw/zinc/57/66/70/1034576670.db2.gz AFFNVUFLPZWDGE-UHFFFAOYSA-N 1 1 342.446 3.944 20 30 EHEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](CC)CC2)c(OC)c1 ZINC000604998792 1034583168 /nfs/dbraw/zinc/58/31/68/1034583168.db2.gz BRBRZISEOLCIBK-HKUYNNGSSA-N 1 1 347.499 3.676 20 30 EHEDMO Cc1c(C#N)cccc1NC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000179702247 1034585725 /nfs/dbraw/zinc/58/57/25/1034585725.db2.gz ZOZXAGVHPAHIFC-HNNXBMFYSA-N 1 1 336.439 3.509 20 30 EHEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)cc1OC ZINC000628261278 1034728427 /nfs/dbraw/zinc/72/84/27/1034728427.db2.gz PBVPTZNCQZLFIC-DZGCQCFKSA-N 1 1 339.863 3.913 20 30 EHEDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1sc2ccc(C#N)cc2c1C ZINC000597603967 1034839397 /nfs/dbraw/zinc/83/93/97/1034839397.db2.gz GMBXCMGEXYNZDO-OAHLLOKOSA-N 1 1 341.480 3.638 20 30 EHEDMO C[C@@H]1Cc2c([nH+]cn2Cc2cc(C#N)ccc2Br)C[C@@H]1C ZINC000450996313 1035006337 /nfs/dbraw/zinc/00/63/37/1035006337.db2.gz GDHMKAIURSEYJD-NWDGAFQWSA-N 1 1 344.256 3.936 20 30 EHEDMO COCC[N@@H+](CCCc1ccccc1)Cc1cn2ccccc2c1C#N ZINC000065958857 1035029241 /nfs/dbraw/zinc/02/92/41/1035029241.db2.gz KWARQSVVADIOFL-UHFFFAOYSA-N 1 1 347.462 3.892 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)NCC1(c2ccccc2)CC1 ZINC000065959573 1035030056 /nfs/dbraw/zinc/03/00/56/1035030056.db2.gz MUQZVEYFCQJOBH-UHFFFAOYSA-N 1 1 348.490 3.565 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)NCC1(c2ccccc2)CC1 ZINC000065959573 1035030065 /nfs/dbraw/zinc/03/00/65/1035030065.db2.gz MUQZVEYFCQJOBH-UHFFFAOYSA-N 1 1 348.490 3.565 20 30 EHEDMO CC(C)CCC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC001167690786 1035212312 /nfs/dbraw/zinc/21/23/12/1035212312.db2.gz UGRPZXPQDIATDW-QGZVFWFLSA-N 1 1 345.512 3.873 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(C#N)sc2[N+](=O)[O-])C1 ZINC000892525103 1035418933 /nfs/dbraw/zinc/41/89/33/1035418933.db2.gz VPTINHWBWRJKAQ-ZIAGYGMSSA-N 1 1 348.472 3.619 20 30 EHEDMO C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428768357 1035506743 /nfs/dbraw/zinc/50/67/43/1035506743.db2.gz ANGBFUZHFRCWSI-SUMWQHHRSA-N 1 1 327.815 3.821 20 30 EHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000581980953 1035666313 /nfs/dbraw/zinc/66/63/13/1035666313.db2.gz ANWMFKQRPTZGJH-IBGZPJMESA-N 1 1 333.435 3.766 20 30 EHEDMO Cc1c([C@H](C)[NH2+]CC(C)(C)CC#N)nnn1-c1ccc(Cl)cc1 ZINC000414166021 1035849804 /nfs/dbraw/zinc/84/98/04/1035849804.db2.gz MWDVLQMWXJRCLC-LBPRGKRZSA-N 1 1 331.851 3.820 20 30 EHEDMO C=CC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)c1ccccc1 ZINC000188496819 1035946616 /nfs/dbraw/zinc/94/66/16/1035946616.db2.gz RGXVZTVXAWBXGQ-LJQANCHMSA-N 1 1 346.434 3.552 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249708930 1035948215 /nfs/dbraw/zinc/94/82/15/1035948215.db2.gz CIVJTVPPXUIXJZ-QZTJIDSGSA-N 1 1 347.245 3.955 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(-n2cncn2)c(F)c1 ZINC000535084215 1035978511 /nfs/dbraw/zinc/97/85/11/1035978511.db2.gz AJORAJYSTVRZEM-UHFFFAOYSA-N 1 1 336.414 3.637 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)s1 ZINC000180175014 1036053344 /nfs/dbraw/zinc/05/33/44/1036053344.db2.gz DEVUFUZPNLIZCA-QGZVFWFLSA-N 1 1 326.465 3.843 20 30 EHEDMO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2ccc(OC)cc2)c1C#N ZINC000535227376 1036181813 /nfs/dbraw/zinc/18/18/13/1036181813.db2.gz ZVYUMUICOLMYHF-AWEZNQCLSA-N 1 1 338.407 3.546 20 30 EHEDMO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)c2ccc(OC)cc2)c1C#N ZINC000535227376 1036181826 /nfs/dbraw/zinc/18/18/26/1036181826.db2.gz ZVYUMUICOLMYHF-AWEZNQCLSA-N 1 1 338.407 3.546 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1Cl ZINC000026224947 1036397082 /nfs/dbraw/zinc/39/70/82/1036397082.db2.gz FVKGJSISGKTMIO-UHFFFAOYSA-N 1 1 327.815 3.672 20 30 EHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000007018148 1036450461 /nfs/dbraw/zinc/45/04/61/1036450461.db2.gz GRQHDZNOKSJJGF-BDJLRTHQSA-N 1 1 342.270 3.698 20 30 EHEDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2cccc(Br)c2C#N)C1 ZINC000589585228 1036520628 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CC#CCCCC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000464651508 1036636914 /nfs/dbraw/zinc/63/69/14/1036636914.db2.gz DPYOCWSUKNXUMQ-KDURUIRLSA-N 1 1 340.511 3.974 20 30 EHEDMO C[N@H+]1C[C@@H]2CCN(CCC(C#N)(c3ccccc3)c3ccccc3)[C@@H]2C1 ZINC000590011075 1036700227 /nfs/dbraw/zinc/70/02/27/1036700227.db2.gz HAQDPKBYQIDHJK-SIKLNZKXSA-N 1 1 345.490 3.522 20 30 EHEDMO CN1C[C@@H]2CC[N@H+](CCC(C#N)(c3ccccc3)c3ccccc3)[C@@H]2C1 ZINC000590011075 1036700242 /nfs/dbraw/zinc/70/02/42/1036700242.db2.gz HAQDPKBYQIDHJK-SIKLNZKXSA-N 1 1 345.490 3.522 20 30 EHEDMO CN1C[C@@H]2CC[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)[C@@H]2C1 ZINC000590011075 1036700249 /nfs/dbraw/zinc/70/02/49/1036700249.db2.gz HAQDPKBYQIDHJK-SIKLNZKXSA-N 1 1 345.490 3.522 20 30 EHEDMO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000464728740 1036712188 /nfs/dbraw/zinc/71/21/88/1036712188.db2.gz YPLCNHDSTJSPCD-YJBOKZPZSA-N 1 1 343.446 3.551 20 30 EHEDMO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 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EHEDMO CCc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)cc1 ZINC000433056220 1040577889 /nfs/dbraw/zinc/57/78/89/1040577889.db2.gz XWUGVRVVDOJTJJ-IBGZPJMESA-N 1 1 333.435 3.549 20 30 EHEDMO C=CCc1cc(CNCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc(OC)c1O ZINC000500135052 1040580878 /nfs/dbraw/zinc/58/08/78/1040580878.db2.gz SLYCDDMKMRHKMM-INIZCTEOSA-N 1 1 346.515 3.729 20 30 EHEDMO C=CCc1cc(C[NH2+]CC(C)(C)N2CCC[C@H](C)C2)cc(OC)c1O ZINC000500135052 1040580895 /nfs/dbraw/zinc/58/08/95/1040580895.db2.gz SLYCDDMKMRHKMM-INIZCTEOSA-N 1 1 346.515 3.729 20 30 EHEDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000481341845 1040720710 /nfs/dbraw/zinc/72/07/10/1040720710.db2.gz DZZSBURFLDOYPL-BBRMVZONSA-N 1 1 345.512 3.948 20 30 EHEDMO N#Cc1ccc(OC2CC[NH+](Cc3cnc(C4CC4)o3)CC2)c(F)c1 ZINC000600160884 1040731841 /nfs/dbraw/zinc/73/18/41/1040731841.db2.gz IHEWNUZOKBMASN-UHFFFAOYSA-N 1 1 341.386 3.606 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000248357657 1040740261 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326.444 3.896 20 30 EHEDMO C=C(C)C[N@@H+](CCOc1cc(C)ccc1C)Cc1ccc(CO)o1 ZINC000512179697 1043669500 /nfs/dbraw/zinc/66/95/00/1043669500.db2.gz MMZIJNUUMQBCIU-UHFFFAOYSA-N 1 1 329.440 3.846 20 30 EHEDMO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1 ZINC000279334805 1043966615 /nfs/dbraw/zinc/96/66/15/1043966615.db2.gz DENYHNBGICXNBG-UHFFFAOYSA-N 1 1 345.450 3.881 20 30 EHEDMO CC(C)C[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279370543 1044008046 /nfs/dbraw/zinc/00/80/46/1044008046.db2.gz IRLLLWHUHQJISQ-QGZVFWFLSA-N 1 1 337.471 3.727 20 30 EHEDMO CC[C@H](C)C[N@@H+](CC)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279373589 1044010460 /nfs/dbraw/zinc/01/04/60/1044010460.db2.gz JITDJWMCZVZQPK-INIZCTEOSA-N 1 1 325.460 3.727 20 30 EHEDMO C=CCC(C)(C)CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000432557841 1044210582 /nfs/dbraw/zinc/21/05/82/1044210582.db2.gz NHACOQBSSFTISM-LJQANCHMSA-N 1 1 343.515 3.752 20 30 EHEDMO C=CCSc1ccccc1C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000344766527 1044396984 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C=CCOc1c(Cl)cc(C[NH2+]Cc2ccn(C(C)C)n2)cc1OC ZINC000623426163 1126952409 /nfs/dbraw/zinc/95/24/09/1126952409.db2.gz CJFASECYUWQSMI-UHFFFAOYSA-N 1 1 349.862 3.981 20 30 EHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2nc3ccccc3n2C)c1 ZINC000073011849 1126975508 /nfs/dbraw/zinc/97/55/08/1126975508.db2.gz ZCSRDBNNNZFXJA-INIZCTEOSA-N 1 1 334.423 3.544 20 30 EHEDMO C=CCCC[C@@H](C)NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000181415331 1127276161 /nfs/dbraw/zinc/27/61/61/1127276161.db2.gz BEZYUYNALGEKKQ-UYAOXDASSA-N 1 1 343.515 3.895 20 30 EHEDMO C#CCN(C(=O)NCc1cccc(C[N@H+](CC)CCCC)c1)C1CC1 ZINC000764739466 1127528527 /nfs/dbraw/zinc/52/85/27/1127528527.db2.gz RFHQDGDADOZVPJ-UHFFFAOYSA-N 1 1 341.499 3.616 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000172397922 1127936532 /nfs/dbraw/zinc/93/65/32/1127936532.db2.gz HJWDLTVKAVFHIC-DOTOQJQBSA-N 1 1 343.471 3.808 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000073615551 1128452192 /nfs/dbraw/zinc/45/21/92/1128452192.db2.gz UWRYIVZECDPZBO-UHFFFAOYSA-N 1 1 344.414 3.785 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2NCc2ccccc2C#N)C[C@H](C)O1 ZINC000055869975 1128534217 /nfs/dbraw/zinc/53/42/17/1128534217.db2.gz QZOKOCYKHODZCI-CALCHBBNSA-N 1 1 335.451 3.780 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccccc2NCc2ccccc2C#N)C[C@H](C)O1 ZINC000055869975 1128534219 /nfs/dbraw/zinc/53/42/19/1128534219.db2.gz QZOKOCYKHODZCI-CALCHBBNSA-N 1 1 335.451 3.780 20 30 EHEDMO N#Cc1cccnc1N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000301287504 1128582258 /nfs/dbraw/zinc/58/22/58/1128582258.db2.gz VSPOGRAJBYUYNU-MRXNPFEDSA-N 1 1 344.821 3.822 20 30 EHEDMO N#Cc1cccnc1N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000301287504 1128582260 /nfs/dbraw/zinc/58/22/60/1128582260.db2.gz VSPOGRAJBYUYNU-MRXNPFEDSA-N 1 1 344.821 3.822 20 30 EHEDMO N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000301466355 1128592487 /nfs/dbraw/zinc/59/24/87/1128592487.db2.gz LTCSYYCLOWFUKW-CQSZACIVSA-N 1 1 338.377 3.648 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1snc(Cl)c1C#N ZINC000301504424 1128593906 /nfs/dbraw/zinc/59/39/06/1128593906.db2.gz CEGDDWKAHXNDQA-SWLSCSKDSA-N 1 1 346.887 3.991 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(Cl)c(C#N)n1 ZINC000301601376 1128597955 /nfs/dbraw/zinc/59/79/55/1128597955.db2.gz VLDIBKAAZRYFQU-RHSMWYFYSA-N 1 1 340.858 3.929 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2c(F)cc(C#N)cc2F)C1 ZINC000302036043 1128616482 /nfs/dbraw/zinc/61/64/82/1128616482.db2.gz JYOGBCBCOQLWOZ-HUUCEWRRSA-N 1 1 333.426 3.927 20 30 EHEDMO CC(=O)c1ccc(C#N)c(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000302135540 1128621704 /nfs/dbraw/zinc/62/17/04/1128621704.db2.gz ZVMVCCIVATYCGG-LJQANCHMSA-N 1 1 347.462 3.737 20 30 EHEDMO C[N@@H+]1CC[C@H](Nc2ccc(F)cc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000302798214 1128647973 /nfs/dbraw/zinc/64/79/73/1128647973.db2.gz AYQHRTPJGOWSCW-ROUUACIJSA-N 1 1 331.341 3.833 20 30 EHEDMO C[N@H+]1CC[C@H](Nc2ccc(F)cc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000302798214 1128647976 /nfs/dbraw/zinc/64/79/76/1128647976.db2.gz AYQHRTPJGOWSCW-ROUUACIJSA-N 1 1 331.341 3.833 20 30 EHEDMO C[N@@H+]1CC[C@@H](Nc2ccc(C#N)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302827346 1128650055 /nfs/dbraw/zinc/65/00/55/1128650055.db2.gz NMWDJIQXQHGEAB-SJORKVTESA-N 1 1 330.794 3.603 20 30 EHEDMO C[N@H+]1CC[C@@H](Nc2ccc(C#N)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302827346 1128650056 /nfs/dbraw/zinc/65/00/56/1128650056.db2.gz NMWDJIQXQHGEAB-SJORKVTESA-N 1 1 330.794 3.603 20 30 EHEDMO N#Cc1cccc(C#N)c1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000302876549 1128652387 /nfs/dbraw/zinc/65/23/87/1128652387.db2.gz GCRWDKDWRUXDMB-HNNXBMFYSA-N 1 1 336.464 3.816 20 30 EHEDMO C[C@@H](c1ccccc1)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000074237716 1128796140 /nfs/dbraw/zinc/79/61/40/1128796140.db2.gz WXFDVEXSWHKDGS-HNNXBMFYSA-N 1 1 348.406 3.689 20 30 EHEDMO Cc1ccc(C#N)cc1NC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000111741811 1128884691 /nfs/dbraw/zinc/88/46/91/1128884691.db2.gz MZWMMLIBUYGRNF-INIZCTEOSA-N 1 1 336.439 3.509 20 30 EHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000076067173 1128901193 /nfs/dbraw/zinc/90/11/93/1128901193.db2.gz SYCUFKUMXBRYPW-JKSUJKDBSA-N 1 1 342.468 3.714 20 30 EHEDMO C[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000076115417 1128904385 /nfs/dbraw/zinc/90/43/85/1128904385.db2.gz JXPAHVNWZXFTKC-ZDUSSCGKSA-N 1 1 331.485 3.702 20 30 EHEDMO CC(C)OC(=O)C[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000184473945 1120377471 /nfs/dbraw/zinc/37/74/71/1120377471.db2.gz PYHSRZWCCVSQTF-KRWDZBQOSA-N 1 1 333.859 3.745 20 30 EHEDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000184473945 1120377478 /nfs/dbraw/zinc/37/74/78/1120377478.db2.gz PYHSRZWCCVSQTF-KRWDZBQOSA-N 1 1 333.859 3.745 20 30 EHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000613373884 1120511592 /nfs/dbraw/zinc/51/15/92/1120511592.db2.gz ZWTFSVQYSIYOQS-AEFFLSMTSA-N 1 1 343.442 3.987 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613426503 1120756533 /nfs/dbraw/zinc/75/65/33/1120756533.db2.gz VBPYPKFMNBWAKB-LJQANCHMSA-N 1 1 348.494 3.961 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000193855236 1120804264 /nfs/dbraw/zinc/80/42/64/1120804264.db2.gz NZZMPYAZEBKPFI-UHFFFAOYSA-N 1 1 344.484 3.651 20 30 EHEDMO Cc1[nH+]c(C=NNC(=S)Nc2cccc(Cl)c2)c2ccccn12 ZINC000914599315 1120921386 /nfs/dbraw/zinc/92/13/86/1120921386.db2.gz FGAGEMXMIRJKBT-UHFFFAOYSA-N 1 1 343.843 3.617 20 30 EHEDMO CC[C@H](C/N=C\c1cc(OC)ccc1O)[N@H+]1CCc2ccccc2C1 ZINC000914702038 1120956295 /nfs/dbraw/zinc/95/62/95/1120956295.db2.gz VKRKFNAKJYECFD-UUMRFZBWSA-N 1 1 338.451 3.657 20 30 EHEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@H](C)Cc1cccc(F)c1)CCO2 ZINC001168490437 1121311852 /nfs/dbraw/zinc/31/18/52/1121311852.db2.gz XBRVWFHOILHSMJ-SLYNCCJLSA-N 1 1 347.474 3.830 20 30 EHEDMO C#Cc1cccc(NC(=O)NC[C@H](CC)[N@H+]2CCc3ccccc3C2)c1 ZINC000915339665 1121346619 /nfs/dbraw/zinc/34/66/19/1121346619.db2.gz COSHXAKMVYYQAR-NRFANRHFSA-N 1 1 347.462 3.626 20 30 EHEDMO COc1cc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1C ZINC000193650319 1121533129 /nfs/dbraw/zinc/53/31/29/1121533129.db2.gz NTLLXBPUXXYPLI-UHFFFAOYSA-N 1 1 349.478 3.583 20 30 EHEDMO COc1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1C ZINC000193650319 1121533132 /nfs/dbraw/zinc/53/31/32/1121533132.db2.gz NTLLXBPUXXYPLI-UHFFFAOYSA-N 1 1 349.478 3.583 20 30 EHEDMO COc1cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1C ZINC000193650319 1121533136 /nfs/dbraw/zinc/53/31/36/1121533136.db2.gz NTLLXBPUXXYPLI-UHFFFAOYSA-N 1 1 349.478 3.583 20 30 EHEDMO C=CCSc1nc2ccccc2n1CN1CC[N@H+](C)C[C@H]1C(C)C ZINC000153629863 1121533526 /nfs/dbraw/zinc/53/35/26/1121533526.db2.gz GTSFEIYNVUJSQV-SFHVURJKSA-N 1 1 344.528 3.544 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CCN(C)C[C@H]1C(C)C ZINC000153629863 1121533534 /nfs/dbraw/zinc/53/35/34/1121533534.db2.gz GTSFEIYNVUJSQV-SFHVURJKSA-N 1 1 344.528 3.544 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCN(C)C[C@H]1C(C)C ZINC000153629863 1121533537 /nfs/dbraw/zinc/53/35/37/1121533537.db2.gz GTSFEIYNVUJSQV-SFHVURJKSA-N 1 1 344.528 3.544 20 30 EHEDMO CC[N@H+](CC(=O)Nc1c(F)cccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000193761194 1121621741 /nfs/dbraw/zinc/62/17/41/1121621741.db2.gz GLKQUMBLPAMFTP-ZDUSSCGKSA-N 1 1 343.377 3.858 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000193761194 1121621746 /nfs/dbraw/zinc/62/17/46/1121621746.db2.gz GLKQUMBLPAMFTP-ZDUSSCGKSA-N 1 1 343.377 3.858 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000489049043 1129005608 /nfs/dbraw/zinc/00/56/08/1129005608.db2.gz XHYXEGQVOIIVNM-PBHICJAKSA-N 1 1 325.387 3.697 20 30 EHEDMO N#Cc1ccsc1NC(=O)C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000065161480 1129009301 /nfs/dbraw/zinc/00/93/01/1129009301.db2.gz KGRNLHILWOMZHQ-UHFFFAOYSA-N 1 1 339.464 3.861 20 30 EHEDMO C[NH+]1CCN(N=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000916249161 1122109660 /nfs/dbraw/zinc/10/96/60/1122109660.db2.gz RLEJPQIBMGVUJI-UHFFFAOYSA-N 1 1 338.238 3.835 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000496803875 1122183868 /nfs/dbraw/zinc/18/38/68/1122183868.db2.gz NXEHHGSWLZJGEZ-INIZCTEOSA-N 1 1 337.508 3.943 20 30 EHEDMO C[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496877809 1122203320 /nfs/dbraw/zinc/20/33/20/1122203320.db2.gz WQDFBOIEAMFQEH-HOTGVXAUSA-N 1 1 337.508 3.799 20 30 EHEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3cccc4[nH]ccc43)CC2)cc1 ZINC000122841809 1122224539 /nfs/dbraw/zinc/22/45/39/1122224539.db2.gz RZJLVRXMAGWUMJ-UHFFFAOYSA-N 1 1 344.462 3.747 20 30 EHEDMO N#Cc1ccc(C[NH2+][C@@H](Cn2cccn2)c2ccccc2)c(Cl)c1 ZINC000615226417 1122344538 /nfs/dbraw/zinc/34/45/38/1122344538.db2.gz UMWKCTGTYYJALE-IBGZPJMESA-N 1 1 336.826 3.939 20 30 EHEDMO C=CC[N@@H+](CCC(=O)Nc1ccccc1C#N)CCc1ccccc1 ZINC000065959598 1122449827 /nfs/dbraw/zinc/44/98/27/1122449827.db2.gz VAVVSAUZKYBUCL-UHFFFAOYSA-N 1 1 333.435 3.618 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc3ccccc32)c1 ZINC000917065201 1122467038 /nfs/dbraw/zinc/46/70/38/1122467038.db2.gz DNAADLHYJACKDR-UHFFFAOYSA-N 1 1 328.415 3.892 20 30 EHEDMO C[N@H+](CCCOc1ccc(C#N)cc1)Cc1ccn(-c2ccccc2)n1 ZINC000917068710 1122474586 /nfs/dbraw/zinc/47/45/86/1122474586.db2.gz WOXVBTIZIKZNAL-UHFFFAOYSA-N 1 1 346.434 3.645 20 30 EHEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccn(-c2ccccc2)n1 ZINC000917068710 1122474588 /nfs/dbraw/zinc/47/45/88/1122474588.db2.gz WOXVBTIZIKZNAL-UHFFFAOYSA-N 1 1 346.434 3.645 20 30 EHEDMO C=CC[N@H+](CCC(=O)Nc1ccc(Br)cc1)C(C)C ZINC000917069506 1122475591 /nfs/dbraw/zinc/47/55/91/1122475591.db2.gz QJVTUKUQWCOUFH-UHFFFAOYSA-N 1 1 325.250 3.674 20 30 EHEDMO C[C@@H](C1CC1)[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CC1 ZINC000917100137 1122499124 /nfs/dbraw/zinc/49/91/24/1122499124.db2.gz JJESVWDJTQLPSO-WFASDCNBSA-N 1 1 339.464 3.735 20 30 EHEDMO C[C@@H](C1CC1)[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CC1 ZINC000917100137 1122499127 /nfs/dbraw/zinc/49/91/27/1122499127.db2.gz JJESVWDJTQLPSO-WFASDCNBSA-N 1 1 339.464 3.735 20 30 EHEDMO CC(C)C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C(C)C ZINC000917100502 1122499379 /nfs/dbraw/zinc/49/93/79/1122499379.db2.gz NYQWUFVRDXVVAV-CQSZACIVSA-N 1 1 329.469 3.839 20 30 EHEDMO CC(C)C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C(C)C ZINC000917100502 1122499380 /nfs/dbraw/zinc/49/93/80/1122499380.db2.gz NYQWUFVRDXVVAV-CQSZACIVSA-N 1 1 329.469 3.839 20 30 EHEDMO C=CCN(CCc1ccco1)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000497371756 1122513301 /nfs/dbraw/zinc/51/33/01/1122513301.db2.gz REYLCWMFHMURMC-KRWDZBQOSA-N 1 1 347.503 3.530 20 30 EHEDMO CC[N@H+](CC(=O)N1c2ccccc2C[C@@H]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497618767 1122611106 /nfs/dbraw/zinc/61/11/06/1122611106.db2.gz HJDDFSSHNJAFKA-IRXDYDNUSA-N 1 1 347.462 3.919 20 30 EHEDMO CC[N@@H+](CC(=O)N1c2ccccc2C[C@@H]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497618767 1122611107 /nfs/dbraw/zinc/61/11/07/1122611107.db2.gz HJDDFSSHNJAFKA-IRXDYDNUSA-N 1 1 347.462 3.919 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000609280550 1122840915 /nfs/dbraw/zinc/84/09/15/1122840915.db2.gz ABXWFTNJPIDOCO-PKOBYXMFSA-N 1 1 347.462 3.840 20 30 EHEDMO C=CCC(C)(C)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000556267411 1122907318 /nfs/dbraw/zinc/90/73/18/1122907318.db2.gz VCPWQQMQYXRVOG-HZPDHXFCSA-N 1 1 330.472 3.837 20 30 EHEDMO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCC(=O)N(C)CCC#N ZINC000130983623 1123027973 /nfs/dbraw/zinc/02/79/73/1123027973.db2.gz XLHZESNKNUGAAN-LBPRGKRZSA-N 1 1 342.270 3.748 20 30 EHEDMO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCC(=O)N(C)CCC#N ZINC000130983816 1123027993 /nfs/dbraw/zinc/02/79/93/1123027993.db2.gz XLHZESNKNUGAAN-GFCCVEGCSA-N 1 1 342.270 3.748 20 30 EHEDMO Cc1c(Cl)cccc1N1CCC[N@H+](Cc2cc(C#N)n(C)c2)CC1 ZINC000556628752 1123065449 /nfs/dbraw/zinc/06/54/49/1123065449.db2.gz DAZZLCPOIGAKIF-UHFFFAOYSA-N 1 1 342.874 3.571 20 30 EHEDMO CC(=O)c1ccccc1OCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194967194 1123095784 /nfs/dbraw/zinc/09/57/84/1123095784.db2.gz JUTZHFDBFRNXCL-UHFFFAOYSA-N 1 1 334.419 3.804 20 30 EHEDMO CCc1ccc([C@H](C[NH2+]Cc2ccc(C#N)o2)N(CC)CC)cc1 ZINC000556889563 1123175597 /nfs/dbraw/zinc/17/55/97/1123175597.db2.gz YXVIWFZOSSNWKG-FQEVSTJZSA-N 1 1 325.456 3.886 20 30 EHEDMO CCC(C)(C)c1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000155115846 1123189785 /nfs/dbraw/zinc/18/97/85/1123189785.db2.gz PCCXRTNWAIXCNH-LJQANCHMSA-N 1 1 335.451 3.562 20 30 EHEDMO COC(=O)c1cc2ccccc2c(C[N@@H+](CCC#N)CC(C)C)c1O ZINC000919945003 1123241613 /nfs/dbraw/zinc/24/16/13/1123241613.db2.gz TWAIUPHBSBQONL-UHFFFAOYSA-N 1 1 340.423 3.704 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=S)Nc2ccccc2C#N)C1 ZINC000920994862 1123446296 /nfs/dbraw/zinc/44/62/96/1123446296.db2.gz XYKSARSTIJQRDQ-UXLLHSPISA-N 1 1 342.512 3.592 20 30 EHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000134063297 1123487569 /nfs/dbraw/zinc/48/75/69/1123487569.db2.gz UXOFRYQMXPPOCW-HZPDHXFCSA-N 1 1 337.508 3.942 20 30 EHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000466039077 1129126158 /nfs/dbraw/zinc/12/61/58/1129126158.db2.gz LEZAJNAUVNRYCG-CHWSQXEVSA-N 1 1 341.908 3.582 20 30 EHEDMO C=CCn1c(-c2cccnc2)nn(C[N@@H+](CC)C[C@H](C)CC)c1=S ZINC000174947902 1123557959 /nfs/dbraw/zinc/55/79/59/1123557959.db2.gz ZYFYLWNNCZTNSW-OAHLLOKOSA-N 1 1 345.516 3.988 20 30 EHEDMO C=CCn1c(-c2cccnc2)nn(C[N@H+](CC)C[C@H](C)CC)c1=S ZINC000174947902 1123557962 /nfs/dbraw/zinc/55/79/62/1123557962.db2.gz ZYFYLWNNCZTNSW-OAHLLOKOSA-N 1 1 345.516 3.988 20 30 EHEDMO Clc1ccc(C#CCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134936850 1123566635 /nfs/dbraw/zinc/56/66/35/1123566635.db2.gz GNUKYXCDPDLPNZ-YLJYHZDGSA-N 1 1 328.887 3.640 20 30 EHEDMO Cc1ccc2oc(N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)nc2c1 ZINC000609630854 1123635026 /nfs/dbraw/zinc/63/50/26/1123635026.db2.gz DSMSTWJWUVSANV-UHFFFAOYSA-N 1 1 346.434 3.720 20 30 EHEDMO C[C@@H](NC(=O)NCCC[N@@H+](C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000075812441 1123695420 /nfs/dbraw/zinc/69/54/20/1123695420.db2.gz NJEMFXTUNHGUGP-MRXNPFEDSA-N 1 1 342.487 3.573 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)nc1 ZINC000780556616 1123696032 /nfs/dbraw/zinc/69/60/32/1123696032.db2.gz OYRGNNRNMFMYSE-UHFFFAOYSA-N 1 1 339.345 3.998 20 30 EHEDMO Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000610004241 1123712432 /nfs/dbraw/zinc/71/24/32/1123712432.db2.gz HGXWYHHPCHFVRU-QMMLZNLJSA-N 1 1 341.499 3.823 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c(C#N)c1C ZINC000114493641 1129151691 /nfs/dbraw/zinc/15/16/91/1129151691.db2.gz LMMGFXWOHDPCSE-QRWLVFNGSA-N 1 1 341.455 3.917 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CC=CCC3)C2)c(C#N)c1C ZINC000114493641 1129151693 /nfs/dbraw/zinc/15/16/93/1129151693.db2.gz LMMGFXWOHDPCSE-QRWLVFNGSA-N 1 1 341.455 3.917 20 30 EHEDMO C=CC[C@H](NC(=O)NCCC[N@H+](C)C1CCCCC1)c1ccncc1 ZINC000734658924 1131263927 /nfs/dbraw/zinc/26/39/27/1131263927.db2.gz OEMITNLZHBDUMF-IBGZPJMESA-N 1 1 344.503 3.653 20 30 EHEDMO C[C@@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000181518765 1124909522 /nfs/dbraw/zinc/90/95/22/1124909522.db2.gz FWCGQIRDZVRJHR-UZLBHIALSA-N 1 1 329.488 3.750 20 30 EHEDMO Cc1cc(Br)ccc1C[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000618309236 1125042747 /nfs/dbraw/zinc/04/27/47/1125042747.db2.gz GUXMRISUWNHAAN-UHFFFAOYSA-N 1 1 330.229 3.656 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)S1 ZINC000092540377 1125126502 /nfs/dbraw/zinc/12/65/02/1125126502.db2.gz BHWNWFSNHURYIR-IYBDPMFKSA-N 1 1 340.496 3.790 20 30 EHEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1c1cccc2ccccc21)C1CC1 ZINC000253357411 1125144393 /nfs/dbraw/zinc/14/43/93/1125144393.db2.gz ADUONHYBEGFUTH-UNMCSNQZSA-N 1 1 347.462 3.785 20 30 EHEDMO C[C@H]1CC[C@]2(CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)C1 ZINC000619073481 1125272452 /nfs/dbraw/zinc/27/24/52/1125272452.db2.gz FELIGTLFWJLORH-UWJYYQICSA-N 1 1 349.482 3.871 20 30 EHEDMO C=CCC1(NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CCCC1 ZINC000619103749 1125282924 /nfs/dbraw/zinc/28/29/24/1125282924.db2.gz BGJFOADFGWFWDS-UHFFFAOYSA-N 1 1 327.472 3.612 20 30 EHEDMO C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000619405012 1125344659 /nfs/dbraw/zinc/34/46/59/1125344659.db2.gz WWLSSJUQMOMRRB-OTWHNJEPSA-N 1 1 343.515 3.751 20 30 EHEDMO N#CC1(C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000619535200 1125362386 /nfs/dbraw/zinc/36/23/86/1125362386.db2.gz IIPGZGXTPMXQGE-UHFFFAOYSA-N 1 1 339.826 3.986 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2cn3cc(Cl)ccc3n2)cc1Cl ZINC000619748707 1125399867 /nfs/dbraw/zinc/39/98/67/1125399867.db2.gz QTWBLVNOPBUUQD-UHFFFAOYSA-N 1 1 331.206 3.803 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Br)o2)cc1Cl ZINC000619748694 1125400116 /nfs/dbraw/zinc/40/01/16/1125400116.db2.gz LLSOJJQYOOYHCP-UHFFFAOYSA-N 1 1 325.593 3.857 20 30 EHEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000198393182 1125441645 /nfs/dbraw/zinc/44/16/45/1125441645.db2.gz PTZVZTBNWCRKHI-AWEZNQCLSA-N 1 1 325.387 3.719 20 30 EHEDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000067414371 1129271477 /nfs/dbraw/zinc/27/14/77/1129271477.db2.gz CQGZUWCQZJEANN-LJQANCHMSA-N 1 1 347.462 3.573 20 30 EHEDMO C[C@H]1C[C@@H](NC(=O)Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000079775931 1129295263 /nfs/dbraw/zinc/29/52/63/1129295263.db2.gz GFRQMBWOVNZQMR-JXFKEZNVSA-N 1 1 348.450 3.733 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2cccc(C#N)c2)cc1 ZINC000080375743 1129351728 /nfs/dbraw/zinc/35/17/28/1129351728.db2.gz YFYICNVMBAYKKQ-CQSZACIVSA-N 1 1 345.406 3.935 20 30 EHEDMO C[C@@H](c1ccco1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000069067387 1129420655 /nfs/dbraw/zinc/42/06/55/1129420655.db2.gz PTHGUKOACXWYSK-LBPRGKRZSA-N 1 1 343.452 3.723 20 30 EHEDMO COc1ccccc1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000069087039 1129422620 /nfs/dbraw/zinc/42/26/20/1129422620.db2.gz VURGZSKFKVJSFZ-LJQANCHMSA-N 1 1 349.434 3.733 20 30 EHEDMO CC[N@@H+](CCc1ccccc1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000154074932 1129531345 /nfs/dbraw/zinc/53/13/45/1129531345.db2.gz JXXNLDCITXHRQH-HNNXBMFYSA-N 1 1 339.439 3.660 20 30 EHEDMO C[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)Cc1ccc(C#N)cc1 ZINC000131169589 1129532751 /nfs/dbraw/zinc/53/27/51/1129532751.db2.gz PCWZBYMXKCCEOE-UHFFFAOYSA-N 1 1 338.361 3.859 20 30 EHEDMO C[C@H]1[C@@H](Nc2c(C#N)nnc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000388873864 1129547012 /nfs/dbraw/zinc/54/70/12/1129547012.db2.gz FZVBILAVOSCTED-YJBOKZPZSA-N 1 1 343.434 3.576 20 30 EHEDMO C[C@H]1[C@H](Nc2c(C#N)nnc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000388873443 1129547267 /nfs/dbraw/zinc/54/72/67/1129547267.db2.gz FZVBILAVOSCTED-MAUKXSAKSA-N 1 1 343.434 3.576 20 30 EHEDMO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1C#N ZINC000092821334 1129562959 /nfs/dbraw/zinc/56/29/59/1129562959.db2.gz ORVMRPGWYGCMTH-UHFFFAOYSA-N 1 1 334.467 3.692 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)o1 ZINC000093104071 1129576542 /nfs/dbraw/zinc/57/65/42/1129576542.db2.gz FXDXECPTERKFMJ-UHFFFAOYSA-N 1 1 334.379 3.581 20 30 EHEDMO CC(C)[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)C[C@@H](C)O ZINC000093145395 1129577972 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3.514 20 30 EHEDMO COc1cc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)ccc1C#N ZINC000282249033 1129725200 /nfs/dbraw/zinc/72/52/00/1129725200.db2.gz JKGKVSHKBLSKGD-IBGZPJMESA-N 1 1 336.435 3.606 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000509123969 1129776866 /nfs/dbraw/zinc/77/68/66/1129776866.db2.gz MDIDILHNSVWQOV-UHFFFAOYSA-N 1 1 347.462 3.835 20 30 EHEDMO N#Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc2ccccc12 ZINC000161923339 1129782344 /nfs/dbraw/zinc/78/23/44/1129782344.db2.gz NCJQATZNBKVZAQ-FOIQADDNSA-N 1 1 332.451 3.560 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCc2ccsc2C1 ZINC000132773857 1129852596 /nfs/dbraw/zinc/85/25/96/1129852596.db2.gz JHYDMAMAFSNXOI-CQSZACIVSA-N 1 1 346.521 3.771 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCc2ccsc2C1 ZINC000132773857 1129852602 /nfs/dbraw/zinc/85/26/02/1129852602.db2.gz JHYDMAMAFSNXOI-CQSZACIVSA-N 1 1 346.521 3.771 20 30 EHEDMO C=CC[C@H]1CC[N@H+](CC(=O)N(CC)c2nc3ccccc3s2)C1 ZINC000625701866 1129985924 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30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000174011297 1130330592 /nfs/dbraw/zinc/33/05/92/1130330592.db2.gz AOMYSPMRRCWMTN-OLZOCXBDSA-N 1 1 331.485 3.557 20 30 EHEDMO C=C[C@@H](C)[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000675933864 1130507591 /nfs/dbraw/zinc/50/75/91/1130507591.db2.gz UFPCPSCCFYVCDT-MNOVXSKESA-N 1 1 335.249 3.563 20 30 EHEDMO COCC[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(C)cc1C ZINC000731212072 1130777593 /nfs/dbraw/zinc/77/75/93/1130777593.db2.gz QTBZFZOHJGCJRJ-UHFFFAOYSA-N 1 1 338.451 3.854 20 30 EHEDMO CC[N@H+]1CCC[C@H]1Cn1c(C)cc(CN=Nc2ccc(F)cn2)c1C ZINC000731318738 1130789276 /nfs/dbraw/zinc/78/92/76/1130789276.db2.gz NZFZNVIOSNJAER-SFHVURJKSA-N 1 1 343.450 3.569 20 30 EHEDMO C#Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000731536465 1130810437 /nfs/dbraw/zinc/81/04/37/1130810437.db2.gz OICFKMYRCNCMPC-FQEVSTJZSA-N 1 1 339.483 3.834 20 30 EHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)/C=C\c2ccccc2C#N)C1 ZINC000732134983 1130887727 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20 30 EHEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282626127 1131126033 /nfs/dbraw/zinc/12/60/33/1131126033.db2.gz DAORCCHHYOIXTH-IBGZPJMESA-N 1 1 326.484 3.597 20 30 EHEDMO CCOCCC[N@H+]1CC[C@H](/N=C/c2cc(Cl)ccc2O)[C@@H](C)C1 ZINC000734366614 1131225785 /nfs/dbraw/zinc/22/57/85/1131225785.db2.gz ZJYIKTKLOQUKHM-FGLKXHMRSA-N 1 1 338.879 3.602 20 30 EHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000739914976 1131516729 /nfs/dbraw/zinc/51/67/29/1131516729.db2.gz MNNONRMODVMZRQ-IFMALSPDSA-N 1 1 348.446 3.826 20 30 EHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000739914976 1131516733 /nfs/dbraw/zinc/51/67/33/1131516733.db2.gz MNNONRMODVMZRQ-IFMALSPDSA-N 1 1 348.446 3.826 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1 ZINC000065286832 1131530549 /nfs/dbraw/zinc/53/05/49/1131530549.db2.gz WGMUYFHNXNPCPL-IBGZPJMESA-N 1 1 343.434 3.723 20 30 EHEDMO Cc1ccccc1[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000741801182 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20 30 EHEDMO C=C(Br)C[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000775931258 1135878406 /nfs/dbraw/zinc/87/84/06/1135878406.db2.gz WCQWITSPZKTYEO-CQSZACIVSA-N 1 1 334.261 3.657 20 30 EHEDMO CCCCCCC[N@H+]1C[C@H](NC(=O)c2ccc(C)[nH]c2=O)CC[C@H]1C ZINC001132321345 1135974596 /nfs/dbraw/zinc/97/45/96/1135974596.db2.gz GSXZGMAOBSVWMB-IAGOWNOFSA-N 1 1 347.503 3.649 20 30 EHEDMO C[C@]1(COC(=O)c2cccc(C#N)n2)CCCC[N@H+]1Cc1ccccc1 ZINC000810665616 1135990875 /nfs/dbraw/zinc/99/08/75/1135990875.db2.gz DKDRCXJSDWYLDD-OAQYLSRUSA-N 1 1 349.434 3.555 20 30 EHEDMO N#CCC[C@H]([NH2+]Cc1ccc(Br)nc1)c1ccccc1 ZINC001201558617 1136040171 /nfs/dbraw/zinc/04/01/71/1136040171.db2.gz SSBUQQPISSLTPL-HNNXBMFYSA-N 1 1 330.229 3.979 20 30 EHEDMO CCCCCC[N@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001201754857 1136059629 /nfs/dbraw/zinc/05/96/29/1136059629.db2.gz JUOWBEQCMGEPBI-FQEVSTJZSA-N 1 1 325.456 3.567 20 30 EHEDMO CCCCCCCCN1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001201813573 1136064758 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CCCCCCCCCCS(=O)(=O)N[C@@H]1CCC[N@@H+](C)CC1 ZINC001201839277 1136069811 /nfs/dbraw/zinc/06/98/11/1136069811.db2.gz UKFROVGBERMFDC-QGZVFWFLSA-N 1 1 332.554 3.531 20 30 EHEDMO C#C[C@H]([NH2+]Cc1cc2c(c(OC)c1)OCO2)c1ccc(Cl)cc1 ZINC000811516951 1136097635 /nfs/dbraw/zinc/09/76/35/1136097635.db2.gz ZWTYBKLMKKSJGB-HNNXBMFYSA-N 1 1 329.783 3.541 20 30 EHEDMO C[C@@H]1C(N=Nc2nccnc2C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000811649873 1136117181 /nfs/dbraw/zinc/11/71/81/1136117181.db2.gz AGOBFURCBSIPJO-OAHLLOKOSA-N 1 1 335.455 3.806 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O ZINC000811776110 1136134404 /nfs/dbraw/zinc/13/44/04/1136134404.db2.gz ABQPKNMSNIPOQN-ICSRJNTNSA-N 1 1 345.483 3.909 20 30 EHEDMO CC(C)OCCON=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000812239351 1136188028 /nfs/dbraw/zinc/18/80/28/1136188028.db2.gz SHPVFOQNQQWRPU-MOPGFXCFSA-N 1 1 330.472 3.716 20 30 EHEDMO C=CCC(C)(C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000814109169 1136405421 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3.735 20 30 EHEDMO C=CCc1cc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c(O)c(OC)c1 ZINC000853624722 1136550449 /nfs/dbraw/zinc/55/04/49/1136550449.db2.gz RBHVGAXZHOFWHY-OYRHEFFESA-N 1 1 343.467 3.522 20 30 EHEDMO Cc1cc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)ccc1N(C)C ZINC000815119612 1136552166 /nfs/dbraw/zinc/55/21/66/1136552166.db2.gz BAOSETUQEIRCSE-UHFFFAOYSA-N 1 1 337.467 3.581 20 30 EHEDMO C=CCc1cc(C[NH2+]Cc2c(F)cc(F)cc2F)cc(OC)c1O ZINC000815152475 1136558168 /nfs/dbraw/zinc/55/81/68/1136558168.db2.gz UVNSBFGICMSARS-UHFFFAOYSA-N 1 1 337.341 3.836 20 30 EHEDMO N#Cc1ccc(F)cc1COC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000815445289 1136596057 /nfs/dbraw/zinc/59/60/57/1136596057.db2.gz VWNASUGSCMBGBH-GOSISDBHSA-N 1 1 330.403 3.538 20 30 EHEDMO C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000815652394 1136626760 /nfs/dbraw/zinc/62/67/60/1136626760.db2.gz AHXGMIXQMOJZKA-CQSZACIVSA-N 1 1 329.271 3.695 20 30 EHEDMO C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000815652394 1136626762 /nfs/dbraw/zinc/62/67/62/1136626762.db2.gz AHXGMIXQMOJZKA-CQSZACIVSA-N 1 1 329.271 3.695 20 30 EHEDMO C=CCOCCCC(=O)O[C@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000816471370 1136719229 /nfs/dbraw/zinc/71/92/29/1136719229.db2.gz CMMRXMHKMQMFEI-MJGOQNOKSA-N 1 1 331.456 3.566 20 30 EHEDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C#N)o2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817418355 1136806766 /nfs/dbraw/zinc/80/67/66/1136806766.db2.gz MZIJJNMNCVFTAF-QLFBSQMISA-N 1 1 347.459 3.522 20 30 EHEDMO CC(C)(C)[C@]1(C=NNC2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000857208764 1136854110 /nfs/dbraw/zinc/85/41/10/1136854110.db2.gz HLTSFZLGQZVBCH-NRFANRHFSA-N 1 1 343.515 3.679 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)CCc2ccccc2)c1 ZINC000339008623 1136918743 /nfs/dbraw/zinc/91/87/43/1136918743.db2.gz XFZLVJZJYFUXMS-UHFFFAOYSA-N 1 1 349.478 3.725 20 30 EHEDMO C=CCn1ccc2c1nc[nH+]c2N[C@@H](C)c1cc(OC)cc(OC)c1 ZINC001170930775 1136950991 /nfs/dbraw/zinc/95/09/91/1136950991.db2.gz NBSLEDVGFCJYLM-ZDUSSCGKSA-N 1 1 338.411 3.808 20 30 EHEDMO C[N@@H+](CCCNC(=O)C(C)(C)c1ccc(C#N)cc1)C1CCCCC1 ZINC000858307550 1136956495 /nfs/dbraw/zinc/95/64/95/1136956495.db2.gz MNGQNTYJSBGKGA-UHFFFAOYSA-N 1 1 341.499 3.607 20 30 EHEDMO COc1ccc2c(c1)C[N@H+](CCOCCC#N)[C@@H](C1CCCCC1)C2 ZINC000339015121 1136994197 /nfs/dbraw/zinc/99/41/97/1136994197.db2.gz SDTCUJKDXIEQNX-OAQYLSRUSA-N 1 1 342.483 3.932 20 30 EHEDMO C#C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000820564349 1136997596 /nfs/dbraw/zinc/99/75/96/1136997596.db2.gz AGZCQUHLAKXEMI-ROUUACIJSA-N 1 1 347.890 3.530 20 30 EHEDMO C=C(C)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000859602766 1137022257 /nfs/dbraw/zinc/02/22/57/1137022257.db2.gz DKMCJUZDTJRNNM-OLZOCXBDSA-N 1 1 336.398 3.588 20 30 EHEDMO C=C[C@@H](C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC001136515834 1137044456 /nfs/dbraw/zinc/04/44/56/1137044456.db2.gz AQTZQVAWCSLJSA-DYESRHJHSA-N 1 1 334.463 3.519 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000822529732 1137062523 /nfs/dbraw/zinc/06/25/23/1137062523.db2.gz IBWOXEVJUWJGIO-OXQOHEQNSA-N 1 1 340.467 3.759 20 30 EHEDMO N#CCCC[C@@H]([NH3+])c1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000822647064 1137068142 /nfs/dbraw/zinc/06/81/42/1137068142.db2.gz MPGYVAUXWYFWGX-GFCCVEGCSA-N 1 1 325.199 3.661 20 30 EHEDMO C=C[C@H](C(=O)N1CCC(C[N@H+](C)CCCC)CC1)c1ccccc1 ZINC001136660197 1137084884 /nfs/dbraw/zinc/08/48/84/1137084884.db2.gz GYWOGPZVLMIGFV-FQEVSTJZSA-N 1 1 328.500 3.927 20 30 EHEDMO C[C@H]1CCC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C(=O)OC(C)(C)C ZINC000823508962 1137104096 /nfs/dbraw/zinc/10/40/96/1137104096.db2.gz BGUAOXAWWFGGAX-YJBOKZPZSA-N 1 1 344.455 3.531 20 30 EHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C(=O)OC(C)(C)C ZINC000823508962 1137104097 /nfs/dbraw/zinc/10/40/97/1137104097.db2.gz BGUAOXAWWFGGAX-YJBOKZPZSA-N 1 1 344.455 3.531 20 30 EHEDMO Cc1cccn2c(C[N@H+]3CCC[C@@H](Oc4cccc(C#N)c4)C3)cnc12 ZINC001136965460 1137158505 /nfs/dbraw/zinc/15/85/05/1137158505.db2.gz PGYWJYLLWCMYQD-HXUWFJFHSA-N 1 1 346.434 3.558 20 30 EHEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c[nH]c3cc(C)ccc13)C2 ZINC001136973398 1137161186 /nfs/dbraw/zinc/16/11/86/1137161186.db2.gz WVWKMVHKBMZLKG-WIYYLYMNSA-N 1 1 340.467 3.802 20 30 EHEDMO CN(CC[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1)C(=O)OC(C)(C)C ZINC000825450422 1137177958 /nfs/dbraw/zinc/17/79/58/1137177958.db2.gz FTCJNQCEUDGALO-UHFFFAOYSA-N 1 1 343.471 3.540 20 30 EHEDMO Cc1c[nH+]c2n1CCC21CCN(Cc2c(Cl)cccc2C#N)CC1 ZINC001143725283 1137194119 /nfs/dbraw/zinc/19/41/19/1137194119.db2.gz XPXYDBKMMWFZPB-UHFFFAOYSA-N 1 1 340.858 3.654 20 30 EHEDMO C[N@@H+](CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C1CCC1 ZINC000863858381 1137205631 /nfs/dbraw/zinc/20/56/31/1137205631.db2.gz XKQAALDIIPZTQI-HXUWFJFHSA-N 1 1 333.435 3.765 20 30 EHEDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370260 1137212957 /nfs/dbraw/zinc/21/29/57/1137212957.db2.gz GKPZOLWYBLBRNF-LIRRHRJNSA-N 1 1 339.395 3.501 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000844473613 1137227383 /nfs/dbraw/zinc/22/73/83/1137227383.db2.gz KYEFPNHZSPVLLM-LRSLUSHPSA-N 1 1 348.446 3.586 20 30 EHEDMO C=CC[C@H](C)C(=O)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001144017956 1137229155 /nfs/dbraw/zinc/22/91/55/1137229155.db2.gz NYTZSGMUEVLNCW-JXFKEZNVSA-N 1 1 330.447 3.605 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cccc(O)c1C)[C@@H]2CC ZINC001144112931 1137239680 /nfs/dbraw/zinc/23/96/80/1137239680.db2.gz PNYICLVUEMAMPA-CTNGQTDRSA-N 1 1 342.483 3.622 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC001171179281 1137290791 /nfs/dbraw/zinc/29/07/91/1137290791.db2.gz QNAKTFIZXOLKOH-AUSIDOKSSA-N 1 1 347.506 3.991 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(N)(c2ccc(F)cc2)CC1 ZINC001171198176 1137307965 /nfs/dbraw/zinc/30/79/65/1137307965.db2.gz IHCSBEKDLPUXJF-MRXNPFEDSA-N 1 1 337.442 3.578 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)s1 ZINC000846009544 1137325482 /nfs/dbraw/zinc/32/54/82/1137325482.db2.gz CRKCMKOQSUIFHW-KRWDZBQOSA-N 1 1 332.856 3.757 20 30 EHEDMO COc1ccccc1O[C@H]1CC[N@H+]([C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171220988 1137346677 /nfs/dbraw/zinc/34/66/77/1137346677.db2.gz GVFNQJHEUKZVLX-LPHOPBHVSA-N 1 1 336.435 3.651 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001171221119 1137346802 /nfs/dbraw/zinc/34/68/02/1137346802.db2.gz IJCOSICWOWWARK-RXVVDRJESA-N 1 1 325.500 3.830 20 30 EHEDMO CC[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1cccc(OC)c1OC ZINC000866351067 1137348356 /nfs/dbraw/zinc/34/83/56/1137348356.db2.gz GTZJQZITVHSHLR-MRXNPFEDSA-N 1 1 328.387 3.955 20 30 EHEDMO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(Cl)cc1)c1cccc(C#N)c1O ZINC000866352595 1137348605 /nfs/dbraw/zinc/34/86/05/1137348605.db2.gz ARLRIYWTQRPIQK-ACJLOTCBSA-N 1 1 343.858 3.871 20 30 EHEDMO C[C@H]([NH2+]Cc1c(F)cccc1N1CCCC1)c1cccc(C#N)c1O ZINC000866356075 1137348944 /nfs/dbraw/zinc/34/89/44/1137348944.db2.gz AUMHVVVXDVOFHJ-AWEZNQCLSA-N 1 1 339.414 3.854 20 30 EHEDMO COC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1cccc(Cl)c1 ZINC000866358853 1137349123 /nfs/dbraw/zinc/34/91/23/1137349123.db2.gz LAYUINXAKGDSSK-SJKOYZFVSA-N 1 1 330.815 3.956 20 30 EHEDMO C[C@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1ccc(C#N)cc1F ZINC000866640800 1137372089 /nfs/dbraw/zinc/37/20/89/1137372089.db2.gz JIMHQARPCDQEIM-LBPRGKRZSA-N 1 1 325.387 3.528 20 30 EHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000846982387 1137380349 /nfs/dbraw/zinc/38/03/49/1137380349.db2.gz PJPWGGYFEITIMZ-GOSISDBHSA-N 1 1 343.471 3.762 20 30 EHEDMO C=C(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC001148597724 1137429236 /nfs/dbraw/zinc/42/92/36/1137429236.db2.gz YUHJOIYQPDUJOY-MRXNPFEDSA-N 1 1 330.472 3.948 20 30 EHEDMO C#CC[C@@H]([NH2+][C@H](C)c1nnn(-c2ccccc2)c1C)c1ccccc1 ZINC000773117267 1137466422 /nfs/dbraw/zinc/46/64/22/1137466422.db2.gz VBQPSVSPUJARFJ-OXQOHEQNSA-N 1 1 330.435 3.991 20 30 EHEDMO C[N@H+]1CCCC[C@@H]1c1ccc(NCCOc2ccc(C#N)cc2)nc1 ZINC001171485124 1137491011 /nfs/dbraw/zinc/49/10/11/1137491011.db2.gz BVWWDIWAQGKMPF-LJQANCHMSA-N 1 1 336.439 3.601 20 30 EHEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC(C#N)(c3ccccc3F)CC1)C2 ZINC001172132595 1137535984 /nfs/dbraw/zinc/53/59/84/1137535984.db2.gz MAPMFGXCRYLLHC-BCDXTJNWSA-N 1 1 341.474 3.698 20 30 EHEDMO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)C2 ZINC001172111105 1137537688 /nfs/dbraw/zinc/53/76/88/1137537688.db2.gz RYFOZWIMOILLGM-MUJYYYPQSA-N 1 1 337.389 3.682 20 30 EHEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)C2 ZINC001172111105 1137537690 /nfs/dbraw/zinc/53/76/90/1137537690.db2.gz RYFOZWIMOILLGM-MUJYYYPQSA-N 1 1 337.389 3.682 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCn2c(-c3ccccc3)cnc2C1 ZINC001172310875 1137545872 /nfs/dbraw/zinc/54/58/72/1137545872.db2.gz KUMLAERZSBUPJI-QGZVFWFLSA-N 1 1 342.446 3.869 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCn2c(-c3ccccc3)cnc2C1 ZINC001172310875 1137545874 /nfs/dbraw/zinc/54/58/74/1137545874.db2.gz KUMLAERZSBUPJI-QGZVFWFLSA-N 1 1 342.446 3.869 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC001172309545 1137546022 /nfs/dbraw/zinc/54/60/22/1137546022.db2.gz UYNZJWWERYJMMI-UTKZUKDTSA-N 1 1 348.446 3.697 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC001172309545 1137546023 /nfs/dbraw/zinc/54/60/23/1137546023.db2.gz UYNZJWWERYJMMI-UTKZUKDTSA-N 1 1 348.446 3.697 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001172313708 1137546556 /nfs/dbraw/zinc/54/65/56/1137546556.db2.gz FBOJFDQIMURFPQ-JJRVBVJISA-N 1 1 340.389 3.515 20 30 EHEDMO CC[C@H]([NH2+]Cc1cc(C#N)ccc1F)C(=O)Nc1ccc(C)cc1 ZINC000871877539 1137561956 /nfs/dbraw/zinc/56/19/56/1137561956.db2.gz MJFMNYQNUUJQBR-SFHVURJKSA-N 1 1 325.387 3.513 20 30 EHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(C)c(N3CCCC3)c2)no1 ZINC000872182662 1137575588 /nfs/dbraw/zinc/57/55/88/1137575588.db2.gz YNHVEQUWBFODHL-AWEZNQCLSA-N 1 1 332.835 3.788 20 30 EHEDMO C[C@@]1(C(F)(F)F)CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000872805643 1137584676 /nfs/dbraw/zinc/58/46/76/1137584676.db2.gz YWIUYHUJRCCLIC-MRXNPFEDSA-N 1 1 334.345 3.654 20 30 EHEDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000872805643 1137584677 /nfs/dbraw/zinc/58/46/77/1137584677.db2.gz YWIUYHUJRCCLIC-MRXNPFEDSA-N 1 1 334.345 3.654 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OCCC)cc2C)n1 ZINC000825726608 1137613652 /nfs/dbraw/zinc/61/36/52/1137613652.db2.gz TXLDHINJVRQMAV-UHFFFAOYSA-N 1 1 325.456 3.636 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OCCC)cc2C)n1 ZINC000825726608 1137613653 /nfs/dbraw/zinc/61/36/53/1137613653.db2.gz TXLDHINJVRQMAV-UHFFFAOYSA-N 1 1 325.456 3.636 20 30 EHEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@](CO)(c4ccccc4)C3)cc2)CC1 ZINC000825784634 1137632318 /nfs/dbraw/zinc/63/23/18/1137632318.db2.gz KCRQJTVHZUCQMZ-QHCPKHFHSA-N 1 1 346.474 3.768 20 30 EHEDMO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc4nccnc4c3)C2)cc1 ZINC001137092566 1137637251 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EHEDMO C[C@H]1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000429570367 1139310009 /nfs/dbraw/zinc/31/00/09/1139310009.db2.gz ONOMCPGSEIGDEU-HOCLYGCPSA-N 1 1 333.863 3.707 20 30 EHEDMO COc1ccc(C[NH2+][C@@H](COCC(C)C)c2ccco2)cc1C#N ZINC000174328666 1139414362 /nfs/dbraw/zinc/41/43/62/1139414362.db2.gz BCBOBXHOHLDEEW-KRWDZBQOSA-N 1 1 328.412 3.663 20 30 EHEDMO Cc1nc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)sc1C ZINC000176356538 1139553789 /nfs/dbraw/zinc/55/37/89/1139553789.db2.gz HXFCEIBCHRBGQM-UHFFFAOYSA-N 1 1 327.453 3.675 20 30 EHEDMO CC(C)(C)OC(=O)NC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177031096 1139593397 /nfs/dbraw/zinc/59/33/97/1139593397.db2.gz IAFBUBILTCAHIS-UHFFFAOYSA-N 1 1 348.874 3.681 20 30 EHEDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000178294811 1139684972 /nfs/dbraw/zinc/68/49/72/1139684972.db2.gz DBPPYMSNJPJESF-JOCHJYFZSA-N 1 1 349.478 3.714 20 30 EHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000179777401 1139781909 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EHEDMO Cn1cc(C[N@@H+](CCc2ccccc2)Cc2cccnc2)cc1C#N ZINC000349082771 1141636444 /nfs/dbraw/zinc/63/64/44/1141636444.db2.gz XPJIZNFIWGYAQG-UHFFFAOYSA-N 1 1 330.435 3.537 20 30 EHEDMO CCN1CC[NH+](Cc2ccc(N[C@H](C)c3cccc(C#N)c3)cc2)CC1 ZINC000183180163 1125466234 /nfs/dbraw/zinc/46/62/34/1125466234.db2.gz DXZKUIQXBFIOPU-GOSISDBHSA-N 1 1 348.494 3.869 20 30 EHEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000579727030 1014309616 /nfs/dbraw/zinc/30/96/16/1014309616.db2.gz MAXIQKQFRJYNRU-VUBSUSDNSA-N 1 1 337.467 3.707 20 30 EHEDMO CCC[N@@H+](Cc1cc(C(=O)OC)c(C)o1)Cc1ccc(C#N)cc1 ZINC000097357102 1014588301 /nfs/dbraw/zinc/58/83/01/1014588301.db2.gz XUVOBGCDDZPJOO-UHFFFAOYSA-N 1 1 326.396 3.659 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)cc1OC ZINC000536681501 1032096577 /nfs/dbraw/zinc/09/65/77/1032096577.db2.gz YACRXOJUVWISJM-UHFFFAOYSA-N 1 1 327.346 3.954 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1OC ZINC000536681501 1032096593 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CN(C[C@H]1CCC[N@@H+](Cc2csc(C#N)c2)C1)C(=O)OC(C)(C)C ZINC000891736995 1022489521 /nfs/dbraw/zinc/48/95/21/1022489521.db2.gz UAWOHFGXBVTOOE-CQSZACIVSA-N 1 1 349.500 3.699 20 30 EHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)C1 ZINC000328804574 1022491766 /nfs/dbraw/zinc/49/17/66/1022491766.db2.gz CUHDGIUBZRCUSK-QTQZEZTPSA-N 1 1 348.450 3.782 20 30 EHEDMO CCc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N(CC)C[C@H](C)C#N)o1 ZINC000303811909 1022518281 /nfs/dbraw/zinc/51/82/81/1022518281.db2.gz LHOKQJGECSPXOR-AEFFLSMTSA-N 1 1 345.487 3.767 20 30 EHEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000303768188 1022526123 /nfs/dbraw/zinc/52/61/23/1022526123.db2.gz QEXVYLRJSDFYSF-QZTJIDSGSA-N 1 1 339.483 3.516 20 30 EHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(NC(C)=O)c2)C1 ZINC000330677615 1022650982 /nfs/dbraw/zinc/65/09/82/1022650982.db2.gz LHFRUGPOOXOVRV-MRXNPFEDSA-N 1 1 345.487 3.850 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000426025032 1022704046 /nfs/dbraw/zinc/70/40/46/1022704046.db2.gz YHFKXRJUERCPGP-NUJGCVRESA-N 1 1 347.528 3.881 20 30 EHEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000331048085 1022734030 /nfs/dbraw/zinc/73/40/30/1022734030.db2.gz GZIHESUVAIBSBW-INIZCTEOSA-N 1 1 341.499 3.728 20 30 EHEDMO CC[C@H](C)n1ncc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)c1C ZINC000331101788 1022743454 /nfs/dbraw/zinc/74/34/54/1022743454.db2.gz DIWRJSONYMWBDQ-DZKIICNBSA-N 1 1 335.496 3.513 20 30 EHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000331271888 1022772551 /nfs/dbraw/zinc/77/25/51/1022772551.db2.gz GUGVHYGSEUHXNV-CRAIPNDOSA-N 1 1 342.487 3.824 20 30 EHEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000510633194 1022799422 /nfs/dbraw/zinc/79/94/22/1022799422.db2.gz JZKKIOONTOQPPL-FCHUYYIVSA-N 1 1 348.446 3.891 20 30 EHEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000510633194 1022799429 /nfs/dbraw/zinc/79/94/29/1022799429.db2.gz JZKKIOONTOQPPL-FCHUYYIVSA-N 1 1 348.446 3.891 20 30 EHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc2c1NCCC2 ZINC000894748321 1022832452 /nfs/dbraw/zinc/83/24/52/1022832452.db2.gz QNSZFRVJXFPHHZ-UHFFFAOYSA-N 1 1 326.440 3.708 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc2c1NCCC2 ZINC000894748321 1022832464 /nfs/dbraw/zinc/83/24/64/1022832464.db2.gz QNSZFRVJXFPHHZ-UHFFFAOYSA-N 1 1 326.440 3.708 20 30 EHEDMO CCCC[N@@H+](Cc1cccc(C#N)n1)[C@@H]1CCc2ncsc2C1 ZINC000602701211 1033090141 /nfs/dbraw/zinc/09/01/41/1033090141.db2.gz CBMLOEKVTZJHBV-MRXNPFEDSA-N 1 1 326.469 3.569 20 30 EHEDMO C#CC[N@@H+](Cc1c(NC(=O)OC(C)(C)C)cnn1C)C1CCCCC1 ZINC000891824004 1022936667 /nfs/dbraw/zinc/93/66/67/1022936667.db2.gz KCFMSVMYBMNSGC-UHFFFAOYSA-N 1 1 346.475 3.535 20 30 EHEDMO C#CC[N@H+](Cc1c(NC(=O)OC(C)(C)C)cnn1C)C1CCCCC1 ZINC000891824004 1022936680 /nfs/dbraw/zinc/93/66/80/1022936680.db2.gz KCFMSVMYBMNSGC-UHFFFAOYSA-N 1 1 346.475 3.535 20 30 EHEDMO N#Cc1ncccc1N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000574373086 1033099224 /nfs/dbraw/zinc/09/92/24/1033099224.db2.gz KIORGMFOYSEVPV-OAHLLOKOSA-N 1 1 344.821 3.822 20 30 EHEDMO N#Cc1ncccc1N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000574373086 1033099237 /nfs/dbraw/zinc/09/92/37/1033099237.db2.gz KIORGMFOYSEVPV-OAHLLOKOSA-N 1 1 344.821 3.822 20 30 EHEDMO C[C@@H](CCC#N)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000602707987 1033095436 /nfs/dbraw/zinc/09/54/36/1033095436.db2.gz XDQGHQGXOAPTBE-YJBOKZPZSA-N 1 1 328.456 3.867 20 30 EHEDMO C[N@H+](CC#Cc1ccc(Cl)cc1)C[C@@H]1OCCc2ccccc21 ZINC000426991284 1023149194 /nfs/dbraw/zinc/14/91/94/1023149194.db2.gz MKDFEUZXSBXKJQ-FQEVSTJZSA-N 1 1 325.839 3.937 20 30 EHEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@@H]1OCCc2ccccc21 ZINC000426991284 1023149196 /nfs/dbraw/zinc/14/91/96/1023149196.db2.gz MKDFEUZXSBXKJQ-FQEVSTJZSA-N 1 1 325.839 3.937 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H]2CCCC[C@@H]12 ZINC000248406459 1023154514 /nfs/dbraw/zinc/15/45/14/1023154514.db2.gz BCNCQUUMXHYUTF-XPGWFJOJSA-N 1 1 334.467 3.969 20 30 EHEDMO C=C(C)C[N@@H+](CC)Cc1ccc(OC)c(OC)c1Br ZINC000056267424 1023251608 /nfs/dbraw/zinc/25/16/08/1023251608.db2.gz TWISWARLARTLQY-UHFFFAOYSA-N 1 1 328.250 3.864 20 30 EHEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC)c(OC)c1Br ZINC000056267424 1023251611 /nfs/dbraw/zinc/25/16/11/1023251611.db2.gz TWISWARLARTLQY-UHFFFAOYSA-N 1 1 328.250 3.864 20 30 EHEDMO C[C@H](CCC#N)C[N@@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602730178 1033119942 /nfs/dbraw/zinc/11/99/42/1033119942.db2.gz YYLOLJSHMJUHGO-DOMZBBRYSA-N 1 1 345.270 3.605 20 30 EHEDMO CC#CC[NH2+][C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000535661941 1023285997 /nfs/dbraw/zinc/28/59/97/1023285997.db2.gz LSCSIHNIJNWRPH-GOSISDBHSA-N 1 1 342.826 3.641 20 30 EHEDMO CC[N@@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C[C@H](C)C#N ZINC000091982676 1023336309 /nfs/dbraw/zinc/33/63/09/1023336309.db2.gz XSDYKIWPWSDDIO-CYBMUJFWSA-N 1 1 336.361 3.873 20 30 EHEDMO CC[N@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C[C@H](C)C#N ZINC000091982676 1023336315 /nfs/dbraw/zinc/33/63/15/1023336315.db2.gz XSDYKIWPWSDDIO-CYBMUJFWSA-N 1 1 336.361 3.873 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)NCC#Cc2ccccc2)cc1)C(C)C ZINC000510926392 1023479844 /nfs/dbraw/zinc/47/98/44/1023479844.db2.gz CQFODRPXUGGTQV-UHFFFAOYSA-N 1 1 334.463 3.698 20 30 EHEDMO COCC1(C#N)CC[NH+]([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000341985898 1023734695 /nfs/dbraw/zinc/73/46/95/1023734695.db2.gz XYFGEKUFMQLYQQ-ZDUSSCGKSA-N 1 1 337.261 3.762 20 30 EHEDMO Cc1c([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)nnn1-c1ccccc1 ZINC000610830384 1023780131 /nfs/dbraw/zinc/78/01/31/1023780131.db2.gz POCADIKAMNUHRV-HUUCEWRRSA-N 1 1 331.423 3.859 20 30 EHEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000181246677 1023870220 /nfs/dbraw/zinc/87/02/20/1023870220.db2.gz JEVJRUJIRFERJY-LBPRGKRZSA-N 1 1 325.250 3.592 20 30 EHEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000181246677 1023870224 /nfs/dbraw/zinc/87/02/24/1023870224.db2.gz JEVJRUJIRFERJY-LBPRGKRZSA-N 1 1 325.250 3.592 20 30 EHEDMO C=CCOc1ccc(CN(C[C@H](O)C[N@@H+](C)C(C)C)C(C)(C)C)cc1 ZINC001168018381 1023960714 /nfs/dbraw/zinc/96/07/14/1023960714.db2.gz MTNUFUWHGXBJKZ-LJQANCHMSA-N 1 1 348.531 3.553 20 30 EHEDMO C=CCOc1ccc(CN(C[C@H](O)C[N@H+](C)C(C)C)C(C)(C)C)cc1 ZINC001168018381 1023960727 /nfs/dbraw/zinc/96/07/27/1023960727.db2.gz MTNUFUWHGXBJKZ-LJQANCHMSA-N 1 1 348.531 3.553 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](C[C@H](O)CN(C)C(C)C)C(C)(C)C)cc1 ZINC001168018381 1023960738 /nfs/dbraw/zinc/96/07/38/1023960738.db2.gz MTNUFUWHGXBJKZ-LJQANCHMSA-N 1 1 348.531 3.553 20 30 EHEDMO C=CCOc1ccc(C[N@H+](C[C@H](O)CN(C)C(C)C)C(C)(C)C)cc1 ZINC001168018381 1023960747 /nfs/dbraw/zinc/96/07/47/1023960747.db2.gz MTNUFUWHGXBJKZ-LJQANCHMSA-N 1 1 348.531 3.553 20 30 EHEDMO CCCN(Cc1ccnc(C#N)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000610992609 1023985619 /nfs/dbraw/zinc/98/56/19/1023985619.db2.gz UTJCLUDVKKVMPN-QFIPXVFZSA-N 1 1 348.494 3.830 20 30 EHEDMO CCC[N@H+](Cc1ccnc(C#N)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000610992609 1023985630 /nfs/dbraw/zinc/98/56/30/1023985630.db2.gz UTJCLUDVKKVMPN-QFIPXVFZSA-N 1 1 348.494 3.830 20 30 EHEDMO CCC[N@@H+](Cc1ccnc(C#N)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000610992609 1023985640 /nfs/dbraw/zinc/98/56/40/1023985640.db2.gz UTJCLUDVKKVMPN-QFIPXVFZSA-N 1 1 348.494 3.830 20 30 EHEDMO Cc1sc(NC(=O)C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)c(C#N)c1C ZINC000248420563 1024087221 /nfs/dbraw/zinc/08/72/21/1024087221.db2.gz LUMUQRNPFHWWLF-SGIREYDYSA-N 1 1 331.485 3.686 20 30 EHEDMO C=CCCCCCCCCC(=O)N1CCC[C@@]2(C1)C[N@H+](C)CCO2 ZINC001269807064 1024141049 /nfs/dbraw/zinc/14/10/49/1024141049.db2.gz AVMYLNZALMCXRM-FQEVSTJZSA-N 1 1 336.520 3.616 20 30 EHEDMO C=CCCCCCCCCC(=O)N1CCC[C@@]2(C1)C[N@@H+](C)CCO2 ZINC001269807064 1024141058 /nfs/dbraw/zinc/14/10/58/1024141058.db2.gz AVMYLNZALMCXRM-FQEVSTJZSA-N 1 1 336.520 3.616 20 30 EHEDMO CO[C@](C)(C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1)C1CC1 ZINC000329749005 1024173407 /nfs/dbraw/zinc/17/34/07/1024173407.db2.gz TZLMQXUTWQPWOU-AVYPCKFXSA-N 1 1 346.471 3.699 20 30 EHEDMO Cc1cc(CNC2CC[NH+](CCc3ccccc3)CC2)ccc1C#N ZINC000443962427 1024197888 /nfs/dbraw/zinc/19/78/88/1024197888.db2.gz RABDJODMNZEEGX-UHFFFAOYSA-N 1 1 333.479 3.663 20 30 EHEDMO Cn1c2cc(F)ccc2nc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000329858941 1024225402 /nfs/dbraw/zinc/22/54/02/1024225402.db2.gz OKVYAYDDUWCEOF-ZDUSSCGKSA-N 1 1 344.434 3.955 20 30 EHEDMO C[N@H+]1CC[C@H](NC(=O)Nc2scnc2C2CC2)[C@@H]1c1ccccc1 ZINC000329896746 1024239643 /nfs/dbraw/zinc/23/96/43/1024239643.db2.gz CQLUBKUEKXDBQN-HOCLYGCPSA-N 1 1 342.468 3.792 20 30 EHEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1cc2cccc(F)c2o1 ZINC000329918883 1024248058 /nfs/dbraw/zinc/24/80/58/1024248058.db2.gz GDYLUSBQSNXNBT-GXTWGEPZSA-N 1 1 333.407 3.621 20 30 EHEDMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H](C)C#N)cc1)C[C@H]1CCCCO1 ZINC000342159157 1024259615 /nfs/dbraw/zinc/25/96/15/1024259615.db2.gz SSJVDMQUNLUIAY-QFBILLFUSA-N 1 1 343.471 3.564 20 30 EHEDMO Cc1nc(CC(C)C)oc1C(=O)N[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000330038392 1024298064 /nfs/dbraw/zinc/29/80/64/1024298064.db2.gz ZYYFXJSXTYTVAI-DLBZAZTESA-N 1 1 341.455 3.584 20 30 EHEDMO C[C@@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000425135336 1024299411 /nfs/dbraw/zinc/29/94/11/1024299411.db2.gz VRYHFVWQOMYUMA-IRXDYDNUSA-N 1 1 347.462 3.524 20 30 EHEDMO C[C@@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000425135336 1024299423 /nfs/dbraw/zinc/29/94/23/1024299423.db2.gz VRYHFVWQOMYUMA-IRXDYDNUSA-N 1 1 347.462 3.524 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](C)CC2)c1 ZINC000063309181 1033202284 /nfs/dbraw/zinc/20/22/84/1033202284.db2.gz HRKLIBOBONTNBL-MRXNPFEDSA-N 1 1 327.472 3.672 20 30 EHEDMO C[NH+](C)Cc1ccc(NCc2cccc(C#N)c2)cc1Br ZINC000342184229 1024331171 /nfs/dbraw/zinc/33/11/71/1024331171.db2.gz RCSUSERVIHDOLP-UHFFFAOYSA-N 1 1 344.256 3.994 20 30 EHEDMO CC(C)n1ncc2c1C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)CC2 ZINC000330172538 1024343715 /nfs/dbraw/zinc/34/37/15/1024343715.db2.gz XZJORWWGSLWHLY-SJLPKXTDSA-N 1 1 344.503 3.685 20 30 EHEDMO CCOc1ccc2nc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)sc2c1 ZINC000330272636 1024380155 /nfs/dbraw/zinc/38/01/55/1024380155.db2.gz XWGXTCRIKOJHCP-CQSZACIVSA-N 1 1 331.441 3.910 20 30 EHEDMO CCOc1ccc2nc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)sc2c1 ZINC000330272636 1024380171 /nfs/dbraw/zinc/38/01/71/1024380171.db2.gz XWGXTCRIKOJHCP-CQSZACIVSA-N 1 1 331.441 3.910 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CCOC[C@H](C3CCC3)C2)ccc1OC ZINC000430113511 1024381926 /nfs/dbraw/zinc/38/19/26/1024381926.db2.gz LPYJPKPDPVPAKO-LJQANCHMSA-N 1 1 345.483 3.899 20 30 EHEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2NC(C)=O)C1 ZINC000895101267 1024387604 /nfs/dbraw/zinc/38/76/04/1024387604.db2.gz HTJHBRYJKWSFOP-AWEZNQCLSA-N 1 1 349.272 3.643 20 30 EHEDMO CCNC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c1 ZINC000330294242 1024439857 /nfs/dbraw/zinc/43/98/57/1024439857.db2.gz FDTKKYFDJDCGKR-INIZCTEOSA-N 1 1 330.432 3.556 20 30 EHEDMO CCNC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)c1 ZINC000330294242 1024439860 /nfs/dbraw/zinc/43/98/60/1024439860.db2.gz FDTKKYFDJDCGKR-INIZCTEOSA-N 1 1 330.432 3.556 20 30 EHEDMO CCC[C@@]1(C)CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000435025900 1024567687 /nfs/dbraw/zinc/56/76/87/1024567687.db2.gz KDQMGJYOZZBKAR-YJBOKZPZSA-N 1 1 331.485 3.627 20 30 EHEDMO CCC[C@@]1(C)CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000435025900 1024567692 /nfs/dbraw/zinc/56/76/92/1024567692.db2.gz KDQMGJYOZZBKAR-YJBOKZPZSA-N 1 1 331.485 3.627 20 30 EHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000435052068 1024581364 /nfs/dbraw/zinc/58/13/64/1024581364.db2.gz FWFROOVJVAVCAC-XPGWFJOJSA-N 1 1 334.419 3.650 20 30 EHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000435052068 1024581373 /nfs/dbraw/zinc/58/13/73/1024581373.db2.gz FWFROOVJVAVCAC-XPGWFJOJSA-N 1 1 334.419 3.650 20 30 EHEDMO COc1cc(C[NH2+]Cc2ccc(C#N)cc2F)ccc1OC(F)F ZINC000237306255 1024621467 /nfs/dbraw/zinc/62/14/67/1024621467.db2.gz MYPNLEMFYIVVKK-UHFFFAOYSA-N 1 1 336.313 3.597 20 30 EHEDMO C=CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(OC)cc1 ZINC000065535782 1024665648 /nfs/dbraw/zinc/66/56/48/1024665648.db2.gz BNELTMZRFZYEKE-UHFFFAOYSA-N 1 1 342.395 3.670 20 30 EHEDMO C[C@@H]1Oc2ccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)cc2NC1=O ZINC000330311016 1024676661 /nfs/dbraw/zinc/67/66/61/1024676661.db2.gz VLIVEUPRMLFFFG-GXTWGEPZSA-N 1 1 331.416 3.908 20 30 EHEDMO N#CCc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000398984906 1024746351 /nfs/dbraw/zinc/74/63/51/1024746351.db2.gz GMEYDMVDMWDAFX-XPWALMASSA-N 1 1 345.490 3.753 20 30 EHEDMO N#Cc1ccc(CC[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)cc1 ZINC000602884631 1033233587 /nfs/dbraw/zinc/23/35/87/1033233587.db2.gz UZLVGKDCAWEZTJ-LJQANCHMSA-N 1 1 328.419 3.533 20 30 EHEDMO N#C[C@@H]1CC[C@@H](N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000511052757 1024959763 /nfs/dbraw/zinc/95/97/63/1024959763.db2.gz 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EHEDMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3cccc(C#N)c3C)CC2)c1 ZINC000178576598 1026214550 /nfs/dbraw/zinc/21/45/50/1026214550.db2.gz XLVNMSLIBWIGIG-UHFFFAOYSA-N 1 1 348.450 3.525 20 30 EHEDMO O[C@@H]1CC[C@H]2C[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)CC[C@@H]2C1 ZINC000451692210 1026234402 /nfs/dbraw/zinc/23/44/02/1026234402.db2.gz DSDVOHWHBOPUBK-SOLBZPMBSA-N 1 1 337.385 3.540 20 30 EHEDMO CCc1oc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1C(=O)OC ZINC000338919902 1026273024 /nfs/dbraw/zinc/27/30/24/1026273024.db2.gz IUENBTAKAZBQFR-UHFFFAOYSA-N 1 1 338.407 3.665 20 30 EHEDMO CCc1oc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1C(=O)OC ZINC000338919902 1026273040 /nfs/dbraw/zinc/27/30/40/1026273040.db2.gz IUENBTAKAZBQFR-UHFFFAOYSA-N 1 1 338.407 3.665 20 30 EHEDMO N#Cc1ccccc1OCC[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000342561067 1026281073 /nfs/dbraw/zinc/28/10/73/1026281073.db2.gz ZVCGLMRJHHOWSF-UHFFFAOYSA-N 1 1 335.432 3.646 20 30 EHEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000934472420 1026293829 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COC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000452076928 1026466409 /nfs/dbraw/zinc/46/64/09/1026466409.db2.gz CAEVDRZQLHHLPF-CYBMUJFWSA-N 1 1 337.261 3.569 20 30 EHEDMO COC[C@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000452106593 1026498619 /nfs/dbraw/zinc/49/86/19/1026498619.db2.gz RAPWVAWULGVQDH-INIZCTEOSA-N 1 1 341.373 3.685 20 30 EHEDMO Cc1csc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)n1 ZINC000113318730 1026547494 /nfs/dbraw/zinc/54/74/94/1026547494.db2.gz KWBBOYQGZIFCLE-UHFFFAOYSA-N 1 1 337.452 3.519 20 30 EHEDMO C[N@@H+](CCCCC(C)(C)C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000277701575 1026623613 /nfs/dbraw/zinc/62/36/13/1026623613.db2.gz MAVSIDPBCMMYKI-UHFFFAOYSA-N 1 1 341.499 3.943 20 30 EHEDMO Cc1cc(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c(C)n1C ZINC000531255006 1026738715 /nfs/dbraw/zinc/73/87/15/1026738715.db2.gz QUQIEJGXCIUINC-UHFFFAOYSA-N 1 1 337.467 3.855 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000158681692 1026866954 /nfs/dbraw/zinc/86/69/54/1026866954.db2.gz OJDHJQAKXORTNI-NVXWUHKLSA-N 1 1 331.460 3.513 20 30 EHEDMO COc1ccc(CN2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC000340194152 1026896647 /nfs/dbraw/zinc/89/66/47/1026896647.db2.gz DGTMYTDFBQGDST-GOSISDBHSA-N 1 1 349.478 3.663 20 30 EHEDMO CCN(CC)C(=O)CCC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428343972 1026907790 /nfs/dbraw/zinc/90/77/90/1026907790.db2.gz IOPNUCYEDNKLKY-UHFFFAOYSA-N 1 1 345.462 3.558 20 30 EHEDMO CCc1ccc(C[NH+]2CCN(c3nc(C)cc(C)c3C#N)CC2)s1 ZINC000582693238 1026952181 /nfs/dbraw/zinc/95/21/81/1026952181.db2.gz VCBJCWXHTFLDIA-UHFFFAOYSA-N 1 1 340.496 3.516 20 30 EHEDMO COc1cccc(C[N@@H+](CCC(C)(C)C#N)C2CCC(O)CC2)c1 ZINC000305785494 1026983296 /nfs/dbraw/zinc/98/32/96/1026983296.db2.gz RMDMQFDBIXHEBJ-UHFFFAOYSA-N 1 1 330.472 3.741 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](C)Cc1ccsc1 ZINC000187776983 1026987301 /nfs/dbraw/zinc/98/73/01/1026987301.db2.gz ULOBSZXROBJSNV-HNNXBMFYSA-N 1 1 341.480 3.901 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H](C)Cc1ccsc1 ZINC000187794235 1027223230 /nfs/dbraw/zinc/22/32/30/1027223230.db2.gz FJEPVAZHVSHWEX-AWEZNQCLSA-N 1 1 327.453 3.511 20 30 EHEDMO C=CCCCN(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000076953569 1027367996 /nfs/dbraw/zinc/36/79/96/1027367996.db2.gz UIHLNTXSKTXQBB-LJQANCHMSA-N 1 1 329.488 3.506 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)c(Cl)c1 ZINC000475684264 1027477771 /nfs/dbraw/zinc/47/77/71/1027477771.db2.gz ANUDGNBUKFQRBP-HXUWFJFHSA-N 1 1 340.854 3.781 20 30 EHEDMO CC(C)COC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccco1 ZINC000273551672 1027489347 /nfs/dbraw/zinc/48/93/47/1027489347.db2.gz XKWHAFLVSGCIBE-GOSISDBHSA-N 1 1 328.412 3.685 20 30 EHEDMO CC[C@H](CC#N)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000336727767 1027501037 /nfs/dbraw/zinc/50/10/37/1027501037.db2.gz GRCUMHWPUBJFDP-GFCCVEGCSA-N 1 1 346.066 3.993 20 30 EHEDMO Cc1cc(Br)c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C#N)c1 ZINC000892299543 1027602268 /nfs/dbraw/zinc/60/22/68/1027602268.db2.gz DRIRMVKHNMPVMC-LBPRGKRZSA-N 1 1 345.244 3.736 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCCc3c(cnn3C)C2)cc1Cl ZINC000414469455 1027713382 /nfs/dbraw/zinc/71/33/82/1027713382.db2.gz GEDWEBRFJVMJMD-UHFFFAOYSA-N 1 1 331.847 3.587 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CCCc3c(cnn3C)C2)cc1Cl ZINC000414469455 1027713399 /nfs/dbraw/zinc/71/33/99/1027713399.db2.gz GEDWEBRFJVMJMD-UHFFFAOYSA-N 1 1 331.847 3.587 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026327924 1027750454 /nfs/dbraw/zinc/75/04/54/1027750454.db2.gz QMGTYSIAVCAMIO-ZDUSSCGKSA-N 1 1 327.815 3.671 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026327924 1027750466 /nfs/dbraw/zinc/75/04/66/1027750466.db2.gz QMGTYSIAVCAMIO-ZDUSSCGKSA-N 1 1 327.815 3.671 20 30 EHEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C(C)C)C2CCCC2)c(OC)c1 ZINC000533368817 1027756735 /nfs/dbraw/zinc/75/67/35/1027756735.db2.gz MKUGTQPKTIONQM-LJQANCHMSA-N 1 1 347.499 3.816 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(C)(C)C ZINC000533416044 1027834442 /nfs/dbraw/zinc/83/44/42/1027834442.db2.gz CDYCUPFCNOGOCU-UHFFFAOYSA-N 1 1 333.501 3.805 20 30 EHEDMO C[C@H]1C[C@H](N(C)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC[N@H+]1C ZINC000888220932 1027915468 /nfs/dbraw/zinc/91/54/68/1027915468.db2.gz KDHZPHDKPNSZMH-QWHCGFSZSA-N 1 1 348.516 3.864 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C3CCCC3)C2)c(C#N)c1C ZINC000420961521 1027932308 /nfs/dbraw/zinc/93/23/08/1027932308.db2.gz ITXNFFSVRWWZCZ-XJKSGUPXSA-N 1 1 329.444 3.607 20 30 EHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000533485689 1027977962 /nfs/dbraw/zinc/97/79/62/1027977962.db2.gz HPMDTHGWLHAXEJ-HXUWFJFHSA-N 1 1 345.462 3.625 20 30 EHEDMO CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1cccc(C#N)c1[O-] ZINC000924958433 1028013460 /nfs/dbraw/zinc/01/34/60/1028013460.db2.gz KVQSVWLGLOPNNQ-FQEVSTJZSA-N 1 1 337.467 3.956 20 30 EHEDMO C[C@@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@@H]1CO ZINC000193128384 1028046772 /nfs/dbraw/zinc/04/67/72/1028046772.db2.gz JYMXBHSMKRPWOT-WIYYLYMNSA-N 1 1 334.463 3.589 20 30 EHEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000444676171 1028147328 /nfs/dbraw/zinc/14/73/28/1028147328.db2.gz NHKFWJGDLURXJV-PKOBYXMFSA-N 1 1 327.472 3.834 20 30 EHEDMO N#CC(CC[N@H+](CCO)C1CCC1)(c1ccccc1)c1ccccc1 ZINC000444680405 1028150298 /nfs/dbraw/zinc/15/02/98/1028150298.db2.gz OPSHRPYIMXCSQL-UHFFFAOYSA-N 1 1 334.463 3.733 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1CSC ZINC000135487687 1028198797 /nfs/dbraw/zinc/19/87/97/1028198797.db2.gz DKEWODKMAQLPLZ-CQSZACIVSA-N 1 1 336.526 3.731 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1CSC ZINC000135487687 1028198802 /nfs/dbraw/zinc/19/88/02/1028198802.db2.gz DKEWODKMAQLPLZ-CQSZACIVSA-N 1 1 336.526 3.731 20 30 EHEDMO CCC[C@]1(CO)CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000444776918 1028265926 /nfs/dbraw/zinc/26/59/26/1028265926.db2.gz MUKAIRMNPZNZQW-QGZVFWFLSA-N 1 1 325.374 3.684 20 30 EHEDMO C=CC[C@@H]1[N@H+](CCc2nc3ccccc3c(=O)[nH]2)CCCC1(C)C ZINC000444784965 1028285555 /nfs/dbraw/zinc/28/55/55/1028285555.db2.gz WZOLHLOAKLUYRF-KRWDZBQOSA-N 1 1 325.456 3.945 20 30 EHEDMO C=CC[C@@H]1[N@@H+](C[C@H](O)COc2cccc(C(C)=O)c2)CCCC1(C)C ZINC000444788816 1028287058 /nfs/dbraw/zinc/28/70/58/1028287058.db2.gz XZLYZZTYOLOPHA-ICSRJNTNSA-N 1 1 345.483 3.696 20 30 EHEDMO C=CCOc1c(Cl)cc(C[NH+]2CCC(O)(CC)CC2)cc1OC ZINC000628182943 1028391500 /nfs/dbraw/zinc/39/15/00/1028391500.db2.gz LYYHEXQQPKHFLL-UHFFFAOYSA-N 1 1 339.863 3.650 20 30 EHEDMO COc1ccc(C[N@H+]2CC[C@@H](CC3CC3)C2)cc1OCCCC#N ZINC000354528756 1028439695 /nfs/dbraw/zinc/43/96/95/1028439695.db2.gz SRCQAJDGKRWDQI-SFHVURJKSA-N 1 1 328.456 4.000 20 30 EHEDMO Cc1cccc(CNC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000523610951 1028464792 /nfs/dbraw/zinc/46/47/92/1028464792.db2.gz CYXIZOXNVCPAQP-UHFFFAOYSA-N 1 1 349.478 3.641 20 30 EHEDMO COc1ccc(C)[nH+]c1NCc1cccn1Cc1ccccc1C#N ZINC000187891437 1028591867 /nfs/dbraw/zinc/59/18/67/1028591867.db2.gz MCCQRJSHVLXCPP-UHFFFAOYSA-N 1 1 332.407 3.732 20 30 EHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1cc2ccccc2o1 ZINC000472280107 1028816245 /nfs/dbraw/zinc/81/62/45/1028816245.db2.gz RPPIOXUEJDBTGR-HNNXBMFYSA-N 1 1 339.439 3.596 20 30 EHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1cc2ccccc2o1 ZINC000472280107 1028816261 /nfs/dbraw/zinc/81/62/61/1028816261.db2.gz RPPIOXUEJDBTGR-HNNXBMFYSA-N 1 1 339.439 3.596 20 30 EHEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1cccc(O)c1 ZINC000191820895 1029028073 /nfs/dbraw/zinc/02/80/73/1029028073.db2.gz QHGQSMAOCVEILU-NSHDSACASA-N 1 1 331.213 3.877 20 30 EHEDMO C=CCCc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000505000278 1029099246 /nfs/dbraw/zinc/09/92/46/1029099246.db2.gz BSQBIOUWTNSEKJ-KRWDZBQOSA-N 1 1 329.488 3.905 20 30 EHEDMO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000052161915 1029142536 /nfs/dbraw/zinc/14/25/36/1029142536.db2.gz LTYUROBPRKXOHG-AWEZNQCLSA-N 1 1 333.863 3.675 20 30 EHEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000052161915 1029142543 /nfs/dbraw/zinc/14/25/43/1029142543.db2.gz LTYUROBPRKXOHG-AWEZNQCLSA-N 1 1 333.863 3.675 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1 ZINC000245736681 1029207053 /nfs/dbraw/zinc/20/70/53/1029207053.db2.gz KYWPSVASCBRZOA-FVJLSDCUSA-N 1 1 336.435 3.939 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1 ZINC000245736681 1029207066 /nfs/dbraw/zinc/20/70/66/1029207066.db2.gz KYWPSVASCBRZOA-FVJLSDCUSA-N 1 1 336.435 3.939 20 30 EHEDMO N#Cc1cccc(OC2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC000191996281 1029418581 /nfs/dbraw/zinc/41/85/81/1029418581.db2.gz OFDONHJNGNJYEA-UHFFFAOYSA-N 1 1 335.382 3.612 20 30 EHEDMO CN(Cc1ccc(C#N)c(F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192049944 1029468264 /nfs/dbraw/zinc/46/82/64/1029468264.db2.gz LKUKFWHZSHTFQX-IBGZPJMESA-N 1 1 337.442 3.651 20 30 EHEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C ZINC000729809976 1029562742 /nfs/dbraw/zinc/56/27/42/1029562742.db2.gz QBRBVAFHFJZUSZ-QZTJIDSGSA-N 1 1 343.467 3.527 20 30 EHEDMO C[C@H](NC(=O)C[N@H+](C)Cc1cccc(C#N)c1)c1ccccc1Cl ZINC000026325739 1029645538 /nfs/dbraw/zinc/64/55/38/1029645538.db2.gz UMLFSGCBNVYNHB-AWEZNQCLSA-N 1 1 341.842 3.521 20 30 EHEDMO C[C@H](NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1)c1ccccc1Cl ZINC000026325739 1029645542 /nfs/dbraw/zinc/64/55/42/1029645542.db2.gz UMLFSGCBNVYNHB-AWEZNQCLSA-N 1 1 341.842 3.521 20 30 EHEDMO CC(C)CCN(CCC#N)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429700284 1029955787 /nfs/dbraw/zinc/95/57/87/1029955787.db2.gz ZJQWSGPCEFSMOA-NRFANRHFSA-N 1 1 343.515 3.539 20 30 EHEDMO Cc1[nH]c(C2CCN(C(=O)c3c(C)cc(C#N)cc3C)CC2)[nH+]c1C ZINC000899960257 1029988711 /nfs/dbraw/zinc/98/87/11/1029988711.db2.gz VNZGZNHAECPHFR-UHFFFAOYSA-N 1 1 336.439 3.535 20 30 EHEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000563707728 1030104048 /nfs/dbraw/zinc/10/40/48/1030104048.db2.gz MMNXYDCNFIREIT-QGZVFWFLSA-N 1 1 329.407 3.559 20 30 EHEDMO C=CC[N@H+](C)C[C@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000121442716 1030269030 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CC[N@@H+](CCOCCC#N)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000595864517 1034010820 /nfs/dbraw/zinc/01/08/20/1034010820.db2.gz BLCINNNTMSOMJD-CQSZACIVSA-N 1 1 328.378 3.889 20 30 EHEDMO Cc1ccc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cc1C#N ZINC000599582771 1034025992 /nfs/dbraw/zinc/02/59/92/1034025992.db2.gz OZWYAHXBIDWTRR-YJBOKZPZSA-N 1 1 328.456 3.666 20 30 EHEDMO C[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@]1(C)CO ZINC000595868414 1034032660 /nfs/dbraw/zinc/03/26/60/1034032660.db2.gz BGSAXQFLZCXZLT-UGKGYDQZSA-N 1 1 348.490 3.837 20 30 EHEDMO Cc1cc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc(C#N)c1[N+](=O)[O-] ZINC000596082140 1034073844 /nfs/dbraw/zinc/07/38/44/1034073844.db2.gz LWBJICBVPUNVFS-UXLLHSPISA-N 1 1 342.443 3.617 20 30 EHEDMO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000599700501 1034102494 /nfs/dbraw/zinc/10/24/94/1034102494.db2.gz HFEVFCMIGNXZTO-OAQYLSRUSA-N 1 1 347.462 3.716 20 30 EHEDMO CCC(C#N)(CC)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000599710197 1034133665 /nfs/dbraw/zinc/13/36/65/1034133665.db2.gz VKVWQSWDUILHSQ-IEBWSBKVSA-N 1 1 341.499 3.733 20 30 EHEDMO CC(C)C[N@@H+]1CCC[C@@H](CNCc2cccc(OCCCC#N)c2)C1 ZINC000120846850 1034183670 /nfs/dbraw/zinc/18/36/70/1034183670.db2.gz QAVPNKBJYPKYND-FQEVSTJZSA-N 1 1 343.515 3.827 20 30 EHEDMO CC(C)C[N@H+]1CCC[C@@H](CNCc2cccc(OCCCC#N)c2)C1 ZINC000120846850 1034183683 /nfs/dbraw/zinc/18/36/83/1034183683.db2.gz QAVPNKBJYPKYND-FQEVSTJZSA-N 1 1 343.515 3.827 20 30 EHEDMO C=CC[N@@H+](C[C@@H]1CCC(F)(F)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000450394187 1034234771 /nfs/dbraw/zinc/23/47/71/1034234771.db2.gz POEIWHOTANTPIN-LSDHHAIUSA-N 1 1 347.413 3.647 20 30 EHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CC[N@H+](CCC)C1 ZINC000666928880 1034235694 /nfs/dbraw/zinc/23/56/94/1034235694.db2.gz VYSBWYFYOGKFKD-CYBMUJFWSA-N 1 1 341.908 3.583 20 30 EHEDMO CCC(C#N)(CC)C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000599929536 1034257210 /nfs/dbraw/zinc/25/72/10/1034257210.db2.gz QUTJXNKZFKWSLB-QGZVFWFLSA-N 1 1 339.439 3.557 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)NCc1ccc(Cl)cc1 ZINC000060168359 1034283713 /nfs/dbraw/zinc/28/37/13/1034283713.db2.gz KTPNFGILZKIMPS-UHFFFAOYSA-N 1 1 342.870 3.687 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)NCc1ccc(Cl)cc1 ZINC000060168359 1034283723 /nfs/dbraw/zinc/28/37/23/1034283723.db2.gz KTPNFGILZKIMPS-UHFFFAOYSA-N 1 1 342.870 3.687 20 30 EHEDMO COc1cccc([C@H](C)[NH+]2CCN(Cc3ccc(C#N)s3)CC2)c1 ZINC000179436819 1034302899 /nfs/dbraw/zinc/30/28/99/1034302899.db2.gz ZMSVAWSKLXGTHS-HNNXBMFYSA-N 1 1 341.480 3.507 20 30 EHEDMO CC[N@@H+](Cc1cnc2nc(C)cc(C)n12)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463724 1034327436 /nfs/dbraw/zinc/32/74/36/1034327436.db2.gz SXNZWOCQEOTWKN-INIZCTEOSA-N 1 1 333.439 3.801 20 30 EHEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000612166720 1034329460 /nfs/dbraw/zinc/32/94/60/1034329460.db2.gz WKRLDKURBXZGJA-VGSWGCGISA-N 1 1 347.462 3.781 20 30 EHEDMO C[C@]1(C#N)CCC[N@@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000612166705 1034329965 /nfs/dbraw/zinc/32/99/65/1034329965.db2.gz WKRLDKURBXZGJA-HTAPYJJXSA-N 1 1 347.462 3.781 20 30 EHEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000604347639 1034343656 /nfs/dbraw/zinc/34/36/56/1034343656.db2.gz PRTVCXGDKODONM-NRFANRHFSA-N 1 1 346.474 3.500 20 30 EHEDMO CCC[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000596736433 1034370136 /nfs/dbraw/zinc/37/01/36/1034370136.db2.gz VRGUIDCQAOKHNI-HUUCEWRRSA-N 1 1 346.500 3.687 20 30 EHEDMO N#CC1(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000596787279 1034394474 /nfs/dbraw/zinc/39/44/74/1034394474.db2.gz ARNVEDAZINFRGE-LJQANCHMSA-N 1 1 339.483 3.631 20 30 EHEDMO Cn1ncc(C2CCC2)c1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000597026687 1034503763 /nfs/dbraw/zinc/50/37/63/1034503763.db2.gz RAXVHDGAAXIDGN-UHFFFAOYSA-N 1 1 332.451 3.849 20 30 EHEDMO N#Cc1ccccc1OCC[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000060467680 1034571795 /nfs/dbraw/zinc/57/17/95/1034571795.db2.gz BXLMCBXYCRPDGU-QFIPXVFZSA-N 1 1 343.430 3.844 20 30 EHEDMO N#Cc1ccccc1OCC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000060467680 1034571808 /nfs/dbraw/zinc/57/18/08/1034571808.db2.gz BXLMCBXYCRPDGU-QFIPXVFZSA-N 1 1 343.430 3.844 20 30 EHEDMO COc1cc(OC)cc(Oc2ccc(C[NH+]3CC(CC#N)C3)cc2)c1 ZINC000597193180 1034578396 /nfs/dbraw/zinc/57/83/96/1034578396.db2.gz DTQQQXQUQBOQPN-UHFFFAOYSA-N 1 1 338.407 3.842 20 30 EHEDMO COc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1OCCCC#N ZINC000597173323 1034582893 /nfs/dbraw/zinc/58/28/93/1034582893.db2.gz IRLUUKZGCFFLKT-MRXNPFEDSA-N 1 1 327.428 3.503 20 30 EHEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@H]3COC[C@H]3C2)c1 ZINC000597232835 1034614507 /nfs/dbraw/zinc/61/45/07/1034614507.db2.gz YRWVCQVHWCIDHS-LEWJYISDSA-N 1 1 348.446 3.606 20 30 EHEDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000167164655 1034624363 /nfs/dbraw/zinc/62/43/63/1034624363.db2.gz PWFWRODHSITVQB-ZDUSSCGKSA-N 1 1 348.372 3.770 20 30 EHEDMO CCc1[nH+]c(CN=Nc2nc(C(F)(F)F)cs2)c2ccccn21 ZINC000755771453 1034682200 /nfs/dbraw/zinc/68/22/00/1034682200.db2.gz TUXXCZSERUZBAP-UHFFFAOYSA-N 1 1 339.346 3.818 20 30 EHEDMO C=C[C@H](CC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000534655374 1034772863 /nfs/dbraw/zinc/77/28/63/1034772863.db2.gz FRMQLLKYJQCOKN-RTBURBONSA-N 1 1 326.484 3.537 20 30 EHEDMO C#CCCOc1ccc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)cc1 ZINC000761226763 1034819154 /nfs/dbraw/zinc/81/91/54/1034819154.db2.gz TZKXNLWDKWTDFV-HSZRJFAPSA-N 1 1 349.474 3.862 20 30 EHEDMO COCC1(C#N)CC[NH+](CCc2c(Cl)cccc2Cl)CC1 ZINC000450928438 1034953772 /nfs/dbraw/zinc/95/37/72/1034953772.db2.gz GMJVCUGYTBBRQC-UHFFFAOYSA-N 1 1 327.255 3.788 20 30 EHEDMO N#CCC[C@H](C#N)C[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000548946972 1035109070 /nfs/dbraw/zinc/10/90/70/1035109070.db2.gz UIDLSKSRROUNTM-OAQYLSRUSA-N 1 1 333.435 3.937 20 30 EHEDMO N#Cc1ccc(OC2CC[NH+](Cc3cccc(C#N)c3F)CC2)cc1 ZINC000340906308 1035239862 /nfs/dbraw/zinc/23/98/62/1035239862.db2.gz WTVKTMWTQHIQSJ-UHFFFAOYSA-N 1 1 335.382 3.612 20 30 EHEDMO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1coc(-c2ccccc2)n1 ZINC000580121255 1035413497 /nfs/dbraw/zinc/41/34/97/1035413497.db2.gz MYPQJEPJGHTJNT-UHFFFAOYSA-N 1 1 347.418 3.862 20 30 EHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1coc(-c2ccccc2)n1 ZINC000580121255 1035413501 /nfs/dbraw/zinc/41/35/01/1035413501.db2.gz MYPQJEPJGHTJNT-UHFFFAOYSA-N 1 1 347.418 3.862 20 30 EHEDMO C[N@@H+](CCOc1ccccc1C#N)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463453698 1035520668 /nfs/dbraw/zinc/52/06/68/1035520668.db2.gz SRZBRUOEYQNXMB-CABCVRRESA-N 1 1 326.362 3.990 20 30 EHEDMO COc1cccc(NC(=O)[C@H]([NH2+]CC2(CC#N)CC2)c2ccccc2)c1 ZINC000429790626 1035526405 /nfs/dbraw/zinc/52/64/05/1035526405.db2.gz NLVZAEKLOHXKLO-LJQANCHMSA-N 1 1 349.434 3.658 20 30 EHEDMO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000588201103 1035820003 /nfs/dbraw/zinc/82/00/03/1035820003.db2.gz FKTILHQGHGRGTR-CYBMUJFWSA-N 1 1 331.213 3.903 20 30 EHEDMO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000588201103 1035820019 /nfs/dbraw/zinc/82/00/19/1035820019.db2.gz FKTILHQGHGRGTR-CYBMUJFWSA-N 1 1 331.213 3.903 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000174187440 1035831392 /nfs/dbraw/zinc/83/13/92/1035831392.db2.gz MJVYDKVFNUKPFX-KRWDZBQOSA-N 1 1 347.528 3.710 20 30 EHEDMO N#CCCCCCC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000588339356 1035915444 /nfs/dbraw/zinc/91/54/44/1035915444.db2.gz BQJYIOKHZFKFKF-UHFFFAOYSA-N 1 1 341.499 3.628 20 30 EHEDMO CCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000164816852 1035921445 /nfs/dbraw/zinc/92/14/45/1035921445.db2.gz XWCIWQLCKLINKG-CYBMUJFWSA-N 1 1 333.501 3.948 20 30 EHEDMO C[C@@H]1CN(C(=O)CCCCCC#N)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000588663318 1035947175 /nfs/dbraw/zinc/94/71/75/1035947175.db2.gz QGLHXZFZJRDODB-MSOLQXFVSA-N 1 1 327.472 3.582 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000492605887 1036062049 /nfs/dbraw/zinc/06/20/49/1036062049.db2.gz ISVYYIOTYRWDHL-UHFFFAOYSA-N 1 1 330.384 3.817 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2ccccc2C)c1C#N ZINC000535227128 1036214988 /nfs/dbraw/zinc/21/49/88/1036214988.db2.gz UEUOVUZZDXVCGM-HXUWFJFHSA-N 1 1 334.419 3.990 20 30 EHEDMO Cc1ccc([C@H]2CC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)cc1 ZINC000541394799 1036281101 /nfs/dbraw/zinc/28/11/01/1036281101.db2.gz XLLUFBCTEULXBY-IBGZPJMESA-N 1 1 344.418 3.906 20 30 EHEDMO N#Cc1cc(N2CCC[N@@H+](Cc3ccccc3)CC2)nc2ccccc12 ZINC000323830437 1036363883 /nfs/dbraw/zinc/36/38/83/1036363883.db2.gz TZXHQOUZQXHZKY-UHFFFAOYSA-N 1 1 342.446 3.819 20 30 EHEDMO C=C[C@@H](CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000535370506 1036404040 /nfs/dbraw/zinc/40/40/40/1036404040.db2.gz LVSVZOJARGCEPV-FQEVSTJZSA-N 1 1 348.490 3.999 20 30 EHEDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1sc2ccc(C#N)cc2c1C ZINC000572743203 1036477946 /nfs/dbraw/zinc/47/79/46/1036477946.db2.gz MYUIEZSROMLYOB-CYBMUJFWSA-N 1 1 343.496 3.932 20 30 EHEDMO Cn1cc[nH+]c1C[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000589578817 1036517987 /nfs/dbraw/zinc/51/79/87/1036517987.db2.gz XUWBWRCHXZMMPJ-QGZVFWFLSA-N 1 1 347.378 3.596 20 30 EHEDMO CC#CCC[N@@H+](C[C@@H](O)COc1cccc2ccccc21)C(C)C ZINC000462321733 1036805041 /nfs/dbraw/zinc/80/50/41/1036805041.db2.gz WKXRJMGCGHJKTQ-LJQANCHMSA-N 1 1 325.452 3.703 20 30 EHEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000464812476 1036823066 /nfs/dbraw/zinc/82/30/66/1036823066.db2.gz KWSJJAQLZMGODC-PMACEKPBSA-N 1 1 331.419 3.709 20 30 EHEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000464812476 1036823080 /nfs/dbraw/zinc/82/30/80/1036823080.db2.gz KWSJJAQLZMGODC-PMACEKPBSA-N 1 1 331.419 3.709 20 30 EHEDMO CC1CCC([N@@H+](CCC(=O)Nc2ccccc2C#N)C2CC2)CC1 ZINC000103469062 1036997784 /nfs/dbraw/zinc/99/77/84/1036997784.db2.gz STJXHSVNASSBGT-UHFFFAOYSA-N 1 1 325.456 3.930 20 30 EHEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000064143220 1037035213 /nfs/dbraw/zinc/03/52/13/1037035213.db2.gz RHRQKOMCQREFBW-GJZGRUSLSA-N 1 1 347.890 3.874 20 30 EHEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000491281667 1037103080 /nfs/dbraw/zinc/10/30/80/1037103080.db2.gz BPCJSJYHJWIPLV-UHFFFAOYSA-N 1 1 348.830 3.611 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000491281667 1037103084 /nfs/dbraw/zinc/10/30/84/1037103084.db2.gz BPCJSJYHJWIPLV-UHFFFAOYSA-N 1 1 348.830 3.611 20 30 EHEDMO Cc1ccc(C#N)nc1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000596100907 1037234076 /nfs/dbraw/zinc/23/40/76/1037234076.db2.gz DBJZTDUVNZRHJP-OAHLLOKOSA-N 1 1 326.469 3.647 20 30 EHEDMO C=C(C)COc1cc(CN(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)ccc1OC ZINC000539818770 1037236759 /nfs/dbraw/zinc/23/67/59/1037236759.db2.gz LEIJXTZTHPCYSV-IEBWSBKVSA-N 1 1 346.515 3.955 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)ccc1OC ZINC000539818770 1037236811 /nfs/dbraw/zinc/23/68/11/1037236811.db2.gz LEIJXTZTHPCYSV-IEBWSBKVSA-N 1 1 346.515 3.955 20 30 EHEDMO C=C(C)COc1cc(C[N@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)ccc1OC ZINC000539818770 1037236821 /nfs/dbraw/zinc/23/68/21/1037236821.db2.gz LEIJXTZTHPCYSV-IEBWSBKVSA-N 1 1 346.515 3.955 20 30 EHEDMO Cc1ccnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1C#N ZINC000542279682 1037239062 /nfs/dbraw/zinc/23/90/62/1037239062.db2.gz FBZMVWZHCYHKCR-KRWDZBQOSA-N 1 1 326.488 3.743 20 30 EHEDMO CN(Cc1ccc(C#N)cc1F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000351979497 1037285039 /nfs/dbraw/zinc/28/50/39/1037285039.db2.gz QJQGTXHGEHHVTL-FQEVSTJZSA-N 1 1 337.442 3.794 20 30 EHEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)c(C#N)c1C ZINC000177082006 1037358732 /nfs/dbraw/zinc/35/87/32/1037358732.db2.gz RDEJCLKLRLFZDL-MRXNPFEDSA-N 1 1 339.464 3.665 20 30 EHEDMO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)C2)c(C#N)c1C ZINC000177082006 1037358749 /nfs/dbraw/zinc/35/87/49/1037358749.db2.gz RDEJCLKLRLFZDL-MRXNPFEDSA-N 1 1 339.464 3.665 20 30 EHEDMO N#Cc1cccc(OC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000104715904 1037359130 /nfs/dbraw/zinc/35/91/30/1037359130.db2.gz WVQQFMSXXZGHGU-UHFFFAOYSA-N 1 1 337.379 3.510 20 30 EHEDMO N#Cc1cc(Oc2ccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)ccn1 ZINC000591415117 1037391586 /nfs/dbraw/zinc/39/15/86/1037391586.db2.gz BPNURVSOVJKTDW-SJLPKXTDSA-N 1 1 334.423 3.784 20 30 EHEDMO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)c(C#N)c1C ZINC000532471757 1037417817 /nfs/dbraw/zinc/41/78/17/1037417817.db2.gz XZIFQKXAVRRGHX-XGWLTEMNSA-N 1 1 329.444 3.607 20 30 EHEDMO N#Cc1ccc(F)c(C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000541025007 1037441483 /nfs/dbraw/zinc/44/14/83/1037441483.db2.gz WJUJUSDKAATYKZ-INIZCTEOSA-N 1 1 338.304 3.539 20 30 EHEDMO CCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000532481090 1037517903 /nfs/dbraw/zinc/51/79/03/1037517903.db2.gz FFOUFUBZTHIIOO-CABCVRRESA-N 1 1 333.501 3.997 20 30 EHEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000775183421 1037633932 /nfs/dbraw/zinc/63/39/32/1037633932.db2.gz LUBJQJYOZCMCHN-VIFPVBQESA-N 1 1 331.051 3.665 20 30 EHEDMO CCC[C@H](C)[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000030269556 1037681271 /nfs/dbraw/zinc/68/12/71/1037681271.db2.gz ZTUASKMYSAXBBR-ZDUSSCGKSA-N 1 1 333.501 3.948 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOC1CCSCC1 ZINC000929758425 1037862891 /nfs/dbraw/zinc/86/28/91/1037862891.db2.gz YWGRCNZIUUWIJV-RTBURBONSA-N 1 1 330.497 3.670 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOC1CCSCC1 ZINC000929758425 1037862910 /nfs/dbraw/zinc/86/29/10/1037862910.db2.gz YWGRCNZIUUWIJV-RTBURBONSA-N 1 1 330.497 3.670 20 30 EHEDMO Cc1cnc(CC[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)s1 ZINC000339136169 1038428336 /nfs/dbraw/zinc/42/83/36/1038428336.db2.gz YSFRWMCQTPYZMF-UHFFFAOYSA-N 1 1 337.395 3.599 20 30 EHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H](O)c3ccc(F)cc3F)CC2)cc1 ZINC000378354605 1038507603 /nfs/dbraw/zinc/50/76/03/1038507603.db2.gz KOYULDYJUHTBPF-FQEVSTJZSA-N 1 1 340.373 3.659 20 30 EHEDMO COc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000538823905 1038559891 /nfs/dbraw/zinc/55/98/91/1038559891.db2.gz NURWJOUAVKMNGZ-UHFFFAOYSA-N 1 1 334.419 3.865 20 30 EHEDMO C=CCOc1ccccc1CNc1ccc(C[NH+]2CCOCC2)cc1 ZINC000124119975 1038800769 /nfs/dbraw/zinc/80/07/69/1038800769.db2.gz XWHGDPVCCACKNG-UHFFFAOYSA-N 1 1 338.451 3.696 20 30 EHEDMO Cc1nc(NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC000488052235 1038809303 /nfs/dbraw/zinc/80/93/03/1038809303.db2.gz BGTPQVBRXDMYIE-MRXNPFEDSA-N 1 1 334.467 3.528 20 30 EHEDMO C[C@H](CCNC(=O)[C@@H](C)c1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000462194138 1038849316 /nfs/dbraw/zinc/84/93/16/1038849316.db2.gz HMSZQXVMLPWGPL-MSOLQXFVSA-N 1 1 349.478 3.689 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000015257925 1039000038 /nfs/dbraw/zinc/00/00/38/1039000038.db2.gz KLVKUNKGOFJCCM-HDICACEKSA-N 1 1 327.472 3.528 20 30 EHEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000552238390 1039102792 /nfs/dbraw/zinc/10/27/92/1039102792.db2.gz FMVULBZTUWOIGP-UHFFFAOYSA-N 1 1 345.468 3.655 20 30 EHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000552238390 1039102799 /nfs/dbraw/zinc/10/27/99/1039102799.db2.gz FMVULBZTUWOIGP-UHFFFAOYSA-N 1 1 345.468 3.655 20 30 EHEDMO C#CC[N@H+](CCC(=O)Nc1ccc(OC)cc1)[C@H]1CCc2ccccc21 ZINC000728913345 1039108657 /nfs/dbraw/zinc/10/86/57/1039108657.db2.gz VUUAXDXLPHGBNT-NRFANRHFSA-N 1 1 348.446 3.647 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000898515697 1039180465 /nfs/dbraw/zinc/18/04/65/1039180465.db2.gz CLTRLHPZCZQLND-PMACEKPBSA-N 1 1 341.499 3.675 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000237500376 1039303775 /nfs/dbraw/zinc/30/37/75/1039303775.db2.gz AFWUUMWIAPBUJN-AVRDEDQJSA-N 1 1 349.478 3.904 20 30 EHEDMO C=CC[C@@H](C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000488628528 1039306847 /nfs/dbraw/zinc/30/68/47/1039306847.db2.gz YSJOEEVWHTVTJE-PGRDOPGGSA-N 1 1 348.490 3.909 20 30 EHEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H](C)C1 ZINC000488710487 1039352213 /nfs/dbraw/zinc/35/22/13/1039352213.db2.gz FCCWTIFZCNXAAZ-IGCXYCKISA-N 1 1 337.389 3.744 20 30 EHEDMO CC(C)c1ccc2ncc(C#N)c(N3CC[C@@]4(CC[N@@H+](C)C4)C3)c2c1 ZINC000488720542 1039356775 /nfs/dbraw/zinc/35/67/75/1039356775.db2.gz YXFQLXVQYZULGO-OAQYLSRUSA-N 1 1 334.467 3.762 20 30 EHEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)C1 ZINC000488732348 1039360801 /nfs/dbraw/zinc/36/08/01/1039360801.db2.gz HMXVFADACCZFQQ-PBFPGSCMSA-N 1 1 337.389 3.744 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CC[C@H](C)C2)c1 ZINC000429586759 1039429934 /nfs/dbraw/zinc/42/99/34/1039429934.db2.gz CTJWYZZJYOHNOD-YJBOKZPZSA-N 1 1 327.472 3.671 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000489013245 1039542064 /nfs/dbraw/zinc/54/20/64/1039542064.db2.gz IINJBCLRVOQDTM-PBHICJAKSA-N 1 1 325.387 3.697 20 30 EHEDMO C[N@@H+](CCCc1ccccc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485788879 1039561685 /nfs/dbraw/zinc/56/16/85/1039561685.db2.gz GZKJXGDIVHWSEL-OAQYLSRUSA-N 1 1 347.462 3.618 20 30 EHEDMO C=CCC1(C(=O)NC[C@H](CC)[N@H+]2CCc3ccccc3C2)CCC1 ZINC000478877579 1039779930 /nfs/dbraw/zinc/77/99/30/1039779930.db2.gz BAFLIVJXUQDWHB-IBGZPJMESA-N 1 1 326.484 3.686 20 30 EHEDMO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc(C#N)n1 ZINC000553147725 1039819305 /nfs/dbraw/zinc/81/93/05/1039819305.db2.gz OTFAIMPEVRUGOE-UGKGYDQZSA-N 1 1 346.478 3.753 20 30 EHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1c1cccs1 ZINC000028896872 1039839950 /nfs/dbraw/zinc/83/99/50/1039839950.db2.gz XNPRAGJVHLWPAF-INIZCTEOSA-N 1 1 325.437 3.785 20 30 EHEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000489459362 1039996959 /nfs/dbraw/zinc/99/69/59/1039996959.db2.gz STMMJQUGRCCAOX-YLJYHZDGSA-N 1 1 340.492 3.994 20 30 EHEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000489459362 1039996968 /nfs/dbraw/zinc/99/69/68/1039996968.db2.gz STMMJQUGRCCAOX-YLJYHZDGSA-N 1 1 340.492 3.994 20 30 EHEDMO C=C(C)CN(CC)C(=O)C[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000473454693 1040035567 /nfs/dbraw/zinc/03/55/67/1040035567.db2.gz RQYWSVPDYSBILT-UHFFFAOYSA-N 1 1 326.843 3.728 20 30 EHEDMO CCC1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000053379301 1040267051 /nfs/dbraw/zinc/26/70/51/1040267051.db2.gz LGWAQXAORCWFFC-LBPRGKRZSA-N 1 1 331.485 3.557 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000490039284 1040301041 /nfs/dbraw/zinc/30/10/41/1040301041.db2.gz VKGXPHNNXBXMQI-MRXNPFEDSA-N 1 1 328.419 3.863 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000490039284 1040301051 /nfs/dbraw/zinc/30/10/51/1040301051.db2.gz VKGXPHNNXBXMQI-MRXNPFEDSA-N 1 1 328.419 3.863 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cnn(C3CCC3)c2)cc1 ZINC000899362569 1040388135 /nfs/dbraw/zinc/38/81/35/1040388135.db2.gz XJFXFCFGVPISIG-BJMVGYQFSA-N 1 1 332.407 3.998 20 30 EHEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000490227071 1040409551 /nfs/dbraw/zinc/40/95/51/1040409551.db2.gz KVKQYYSSMINKII-HKUYNNGSSA-N 1 1 336.426 3.961 20 30 EHEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000490227071 1040409563 /nfs/dbraw/zinc/40/95/63/1040409563.db2.gz KVKQYYSSMINKII-HKUYNNGSSA-N 1 1 336.426 3.961 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncc(C#N)cc2Cl)C1 ZINC000246766731 1040410225 /nfs/dbraw/zinc/41/02/25/1040410225.db2.gz OGYODBAZJKMSQO-LSDHHAIUSA-N 1 1 332.879 3.697 20 30 EHEDMO C=CC[N@H+](C)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000154764326 1040456106 /nfs/dbraw/zinc/45/61/06/1040456106.db2.gz BYFITJOUQHWHDH-UHFFFAOYSA-N 1 1 342.395 3.800 20 30 EHEDMO N#Cc1ccnc(C[N@@H+](Cc2cccc(Br)c2)C2CC2)c1 ZINC001307440698 1040478296 /nfs/dbraw/zinc/47/82/96/1040478296.db2.gz RNEQXNQTSWPEBG-UHFFFAOYSA-N 1 1 342.240 3.880 20 30 EHEDMO N#Cc1ccnc(C[N@H+](Cc2cccc(Br)c2)C2CC2)c1 ZINC001307440698 1040478300 /nfs/dbraw/zinc/47/83/00/1040478300.db2.gz RNEQXNQTSWPEBG-UHFFFAOYSA-N 1 1 342.240 3.880 20 30 EHEDMO COc1ccnc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c1OC ZINC000433025560 1040490767 /nfs/dbraw/zinc/49/07/67/1040490767.db2.gz LRFYYQRGQBMISE-INIZCTEOSA-N 1 1 325.412 3.624 20 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C[N@@H+]1CC[C@H](Nc2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301852430 1128608488 /nfs/dbraw/zinc/60/84/88/1128608488.db2.gz PYLGTZGHQRXSGH-RDJZCZTQSA-N 1 1 330.794 3.603 20 30 EHEDMO C[N@H+]1CC[C@H](Nc2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301852430 1128608490 /nfs/dbraw/zinc/60/84/90/1128608490.db2.gz PYLGTZGHQRXSGH-RDJZCZTQSA-N 1 1 330.794 3.603 20 30 EHEDMO CC(=O)c1ccc(C#N)c(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000302099348 1128619702 /nfs/dbraw/zinc/61/97/02/1128619702.db2.gz KPZNWPOZFFFIQW-QRWLVFNGSA-N 1 1 333.435 3.836 20 30 EHEDMO N#Cc1cccnc1N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000302182745 1128624586 /nfs/dbraw/zinc/62/45/86/1128624586.db2.gz SGGQCASJPIVFNG-VAMGGRTRSA-N 1 1 332.451 3.666 20 30 EHEDMO CC(C)C[N@H+]1CC[C@@H](CNc2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000302183534 1128624596 /nfs/dbraw/zinc/62/45/96/1128624596.db2.gz GBBYZOHUGMPCDS-ZDUSSCGKSA-N 1 1 325.378 3.967 20 30 EHEDMO Cc1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc1C#N ZINC000302603199 1128637681 /nfs/dbraw/zinc/63/76/81/1128637681.db2.gz CQKLWOCGRLZFDD-FPOVZHCZSA-N 1 1 346.478 3.753 20 30 EHEDMO N#Cc1c(C[N@H+]2CCCN(c3ccccc3)CC2)cn2ccccc12 ZINC000303005139 1128660898 /nfs/dbraw/zinc/66/08/98/1128660898.db2.gz VNOFVQMXYVDQPI-UHFFFAOYSA-N 1 1 330.435 3.523 20 30 EHEDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)Nc1cccc(C#N)c1 ZINC000251237785 1128779498 /nfs/dbraw/zinc/77/94/98/1128779498.db2.gz OZQRCEYEAKSKRS-AZUAARDMSA-N 1 1 346.434 3.707 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(F)cc2C#N)C1 ZINC000252170635 1128817273 /nfs/dbraw/zinc/81/72/73/1128817273.db2.gz NVTTZNMXAUTSTQ-IRXDYDNUSA-N 1 1 329.463 3.784 20 30 EHEDMO C=CC[C@@H](CC)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000542905917 1128825722 /nfs/dbraw/zinc/82/57/22/1128825722.db2.gz ILCYFZJPIFUFCO-XUBOLADHSA-N 1 1 341.499 3.836 20 30 EHEDMO C[C@H]1[C@H](Nc2nccc(C#N)c2Cl)CC[N@H+]1Cc1ccccc1 ZINC000309916781 1128918187 /nfs/dbraw/zinc/91/81/87/1128918187.db2.gz UNSNOTAUOXUFGN-XJKSGUPXSA-N 1 1 326.831 3.682 20 30 EHEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000494554964 1120593502 /nfs/dbraw/zinc/59/35/02/1120593502.db2.gz MYRJCBBPWOIJGN-GFCCVEGCSA-N 1 1 339.867 3.818 20 30 EHEDMO N#Cc1ccc(F)c(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000170651038 1121004828 /nfs/dbraw/zinc/00/48/28/1121004828.db2.gz FFEKEDMSSUGQSU-UHFFFAOYSA-N 1 1 327.378 3.913 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H](C)Cc1cccc(F)c1)C2 ZINC001168487577 1121160210 /nfs/dbraw/zinc/16/02/10/1121160210.db2.gz ONSUVNNBWLDQDR-UXPWSPDFSA-N 1 1 333.447 3.583 20 30 EHEDMO CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2CC1 ZINC001272610521 1121267733 /nfs/dbraw/zinc/26/77/33/1121267733.db2.gz HVQHOHGXGOBYLJ-MKXGPGLRSA-N 1 1 333.520 3.533 20 30 EHEDMO N#Cc1cccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311078226 1128979699 /nfs/dbraw/zinc/97/96/99/1128979699.db2.gz WDRRSELGKHXILM-JOCHJYFZSA-N 1 1 333.479 3.950 20 30 EHEDMO N#Cc1cccc(CNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000311078226 1128979702 /nfs/dbraw/zinc/97/97/02/1128979702.db2.gz WDRRSELGKHXILM-JOCHJYFZSA-N 1 1 333.479 3.950 20 30 EHEDMO N#Cc1cccc(CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311078226 1128979706 /nfs/dbraw/zinc/97/97/06/1128979706.db2.gz WDRRSELGKHXILM-JOCHJYFZSA-N 1 1 333.479 3.950 20 30 EHEDMO C[C@@H](C#N)C[N@@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000495691949 1121359632 /nfs/dbraw/zinc/35/96/32/1121359632.db2.gz UEMKPDWQJUZHOC-HNNXBMFYSA-N 1 1 335.492 3.648 20 30 EHEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cc(Br)ncc1F ZINC000762731818 1121430661 /nfs/dbraw/zinc/43/06/61/1121430661.db2.gz FUYKEOIFCWWODX-JTQLQIEISA-N 1 1 334.192 3.706 20 30 EHEDMO Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193755256 1121620761 /nfs/dbraw/zinc/62/07/61/1121620761.db2.gz PFIPTKBLXPGYAI-LJQANCHMSA-N 1 1 348.450 3.510 20 30 EHEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000282118997 1121795094 /nfs/dbraw/zinc/79/50/94/1121795094.db2.gz XRBPEKJXWYQEGN-VOIUYBSRSA-N 1 1 348.512 3.517 20 30 EHEDMO CC(C)C[N@H+](CCC#N)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000916633231 1122223620 /nfs/dbraw/zinc/22/36/20/1122223620.db2.gz QXYAHYXZKPCINR-AWEZNQCLSA-N 1 1 345.270 3.605 20 30 EHEDMO CC(C)C[N@@H+](CCC#N)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000916633231 1122223625 /nfs/dbraw/zinc/22/36/25/1122223625.db2.gz QXYAHYXZKPCINR-AWEZNQCLSA-N 1 1 345.270 3.605 20 30 EHEDMO Cc1nnc(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000311770748 1129042128 /nfs/dbraw/zinc/04/21/28/1129042128.db2.gz HEOGAWBQEPKRFZ-IBGZPJMESA-N 1 1 349.482 3.679 20 30 EHEDMO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH+]1CCC(C#N)CC1 ZINC000123718868 1122262183 /nfs/dbraw/zinc/26/21/83/1122262183.db2.gz GWMCTTLCBLZYGM-UHFFFAOYSA-N 1 1 336.483 3.964 20 30 EHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccs1)C1CC1 ZINC000497198623 1122369256 /nfs/dbraw/zinc/36/92/56/1122369256.db2.gz LKEGANNWKDLPAP-SFHVURJKSA-N 1 1 343.492 3.881 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)C1 ZINC000497202865 1122371127 /nfs/dbraw/zinc/37/11/27/1122371127.db2.gz LEDDLNJMRQGESJ-MHORFTMASA-N 1 1 347.503 3.648 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCN1CC(F)(F)F ZINC000128444072 1122597550 /nfs/dbraw/zinc/59/75/50/1122597550.db2.gz IIZRWHKGTOKQMA-CQSZACIVSA-N 1 1 339.405 3.556 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCN1CC(F)(F)F ZINC000128444072 1122597555 /nfs/dbraw/zinc/59/75/55/1122597555.db2.gz IIZRWHKGTOKQMA-CQSZACIVSA-N 1 1 339.405 3.556 20 30 EHEDMO CCC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000556137249 1122835703 /nfs/dbraw/zinc/83/57/03/1122835703.db2.gz GDZKTJSICGYYKS-KRWDZBQOSA-N 1 1 327.472 3.630 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc(F)cc1 ZINC000071014867 1122949842 /nfs/dbraw/zinc/94/98/42/1122949842.db2.gz SSLSVCQTONUBJP-MRXNPFEDSA-N 1 1 339.414 3.593 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000071014867 1122949845 /nfs/dbraw/zinc/94/98/45/1122949845.db2.gz SSLSVCQTONUBJP-MRXNPFEDSA-N 1 1 339.414 3.593 20 30 EHEDMO CC(C)C[N@H+](CC(=O)NC1(C#N)CCC1)[C@H](C)c1ccccc1Cl ZINC000556514419 1123009626 /nfs/dbraw/zinc/00/96/26/1123009626.db2.gz DLKMPOUAWCWACH-OAHLLOKOSA-N 1 1 347.890 3.921 20 30 EHEDMO CC(C)C[N@@H+](CC(=O)NC1(C#N)CCC1)[C@H](C)c1ccccc1Cl ZINC000556514419 1123009631 /nfs/dbraw/zinc/00/96/31/1123009631.db2.gz DLKMPOUAWCWACH-OAHLLOKOSA-N 1 1 347.890 3.921 20 30 EHEDMO Cc1ccc(C[N@H+](CCCC(C)C)CC(=O)N[C@](C)(C#N)C2CC2)o1 ZINC000919673116 1123111795 /nfs/dbraw/zinc/11/17/95/1123111795.db2.gz IDTMUZRMSMUTDV-HXUWFJFHSA-N 1 1 345.487 3.635 20 30 EHEDMO Cc1ccc(C[N@@H+](CCCC(C)C)CC(=O)N[C@](C)(C#N)C2CC2)o1 ZINC000919673116 1123111796 /nfs/dbraw/zinc/11/17/96/1123111796.db2.gz IDTMUZRMSMUTDV-HXUWFJFHSA-N 1 1 345.487 3.635 20 30 EHEDMO CCc1ccc([C@@H](C[NH2+]Cc2ccc(C#N)o2)N(CC)CC)cc1 ZINC000556889567 1123175654 /nfs/dbraw/zinc/17/56/54/1123175654.db2.gz YXVIWFZOSSNWKG-HXUWFJFHSA-N 1 1 325.456 3.886 20 30 EHEDMO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCCCC#N ZINC000135880286 1123651371 /nfs/dbraw/zinc/65/13/71/1123651371.db2.gz IAARFKOIRTYVON-YLJYHZDGSA-N 1 1 328.504 3.616 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+](Cc1cccc(F)c1)C(C)C ZINC000610132674 1123739310 /nfs/dbraw/zinc/73/93/10/1123739310.db2.gz XNEYAFFSPDOXPB-UHFFFAOYSA-N 1 1 342.414 3.995 20 30 EHEDMO C=CCN(CC1CCCCC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000080506551 1123756333 /nfs/dbraw/zinc/75/63/33/1123756333.db2.gz WKPLLBLHKZJSOS-YQQQUEKLSA-N 1 1 333.520 3.780 20 30 EHEDMO C[C@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H]1c1ccccc1 ZINC000245438005 1123826333 /nfs/dbraw/zinc/82/63/33/1123826333.db2.gz RXWLRLDXDQGPAG-LAUBAEHRSA-N 1 1 333.435 3.626 20 30 EHEDMO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H]1c1ccccc1 ZINC000245438005 1123826336 /nfs/dbraw/zinc/82/63/36/1123826336.db2.gz RXWLRLDXDQGPAG-LAUBAEHRSA-N 1 1 333.435 3.626 20 30 EHEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC000081596943 1123854735 /nfs/dbraw/zinc/85/47/35/1123854735.db2.gz WKUOVRUQPGNESB-INIZCTEOSA-N 1 1 347.462 3.696 20 30 EHEDMO CCC1(CC)CCC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000615810605 1123880266 /nfs/dbraw/zinc/88/02/66/1123880266.db2.gz DSOCHVOJALGTIV-LJQANCHMSA-N 1 1 344.499 3.785 20 30 EHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000114493831 1129152214 /nfs/dbraw/zinc/15/22/14/1129152214.db2.gz IZPSEZUHSPKIAF-GOSISDBHSA-N 1 1 329.469 3.771 20 30 EHEDMO Cc1cccc2nc(C[NH2+]Cc3cccc(OCCCC#N)c3)cn21 ZINC000069024111 1124091920 /nfs/dbraw/zinc/09/19/20/1124091920.db2.gz RKEGREXVPADVQU-UHFFFAOYSA-N 1 1 334.423 3.615 20 30 EHEDMO CCCCCCC[C@H](C)CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000734660583 1131266080 /nfs/dbraw/zinc/26/60/80/1131266080.db2.gz DASWDJVVYAFTTA-ROUUACIJSA-N 1 1 325.541 3.966 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(C)ccc2Br)no1 ZINC001212325630 1124670723 /nfs/dbraw/zinc/67/07/23/1124670723.db2.gz YFSNRPJVCBJSSH-ZDUSSCGKSA-N 1 1 334.217 3.611 20 30 EHEDMO C[C@@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@H]1CO ZINC000248762377 1124697618 /nfs/dbraw/zinc/69/76/18/1124697618.db2.gz JYMXBHSMKRPWOT-NQIIRXRSSA-N 1 1 334.463 3.589 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000763493236 1124734428 /nfs/dbraw/zinc/73/44/28/1124734428.db2.gz SFSIHQVCFLXXIO-KNQAVFIVSA-N 1 1 345.446 3.953 20 30 EHEDMO CCOCCC[N@H+]1CCC(N=Nc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000735223490 1131317966 /nfs/dbraw/zinc/31/79/66/1131317966.db2.gz BXYZZWAPFIMFIF-INIZCTEOSA-N 1 1 340.471 3.771 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(F)cc2OCC#N)C1 ZINC000181545795 1124928185 /nfs/dbraw/zinc/92/81/85/1124928185.db2.gz BEFKFZONOGVDFX-QAPCUYQASA-N 1 1 339.414 3.975 20 30 EHEDMO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CCC1 ZINC000253353397 1125143656 /nfs/dbraw/zinc/14/36/56/1125143656.db2.gz UUHRAZNZBUMQER-IAGOWNOFSA-N 1 1 332.875 3.948 20 30 EHEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CCC1 ZINC000253353397 1125143660 /nfs/dbraw/zinc/14/36/60/1125143660.db2.gz UUHRAZNZBUMQER-IAGOWNOFSA-N 1 1 332.875 3.948 20 30 EHEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000093281468 1125215784 /nfs/dbraw/zinc/21/57/84/1125215784.db2.gz PHMOORBTZVZDLD-KRWDZBQOSA-N 1 1 344.499 3.626 20 30 EHEDMO Cc1ccc(C[N@H+](C2CC2)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000619152546 1125293151 /nfs/dbraw/zinc/29/31/51/1125293151.db2.gz RGUNUVBUWRLQGY-HXUWFJFHSA-N 1 1 349.434 3.620 20 30 EHEDMO Cc1ccc(C[N@@H+](C2CC2)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000619152546 1125293155 /nfs/dbraw/zinc/29/31/55/1125293155.db2.gz RGUNUVBUWRLQGY-HXUWFJFHSA-N 1 1 349.434 3.620 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000619532300 1125358588 /nfs/dbraw/zinc/35/85/88/1125358588.db2.gz FKIPVSIWZKPHNN-LZJOCLMNSA-N 1 1 342.483 3.646 20 30 EHEDMO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](c3cc(C)cc(C)c3)C2)c1=S ZINC000182793819 1125371416 /nfs/dbraw/zinc/37/14/16/1125371416.db2.gz CNPSBPDBZWBLHM-QGZVFWFLSA-N 1 1 342.512 3.972 20 30 EHEDMO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](c3cc(C)cc(C)c3)C2)c1=S ZINC000182793819 1125371419 /nfs/dbraw/zinc/37/14/19/1125371419.db2.gz CNPSBPDBZWBLHM-QGZVFWFLSA-N 1 1 342.512 3.972 20 30 EHEDMO CC[N@@H+](C)[C@@H](C(=O)NCc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000619763716 1125397457 /nfs/dbraw/zinc/39/74/57/1125397457.db2.gz QYIRBYPZLJCLAL-GOSISDBHSA-N 1 1 341.842 3.521 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Br)cn2)cc1Cl ZINC000619749009 1125401039 /nfs/dbraw/zinc/40/10/39/1125401039.db2.gz WCZILKSVAWOWLR-UHFFFAOYSA-N 1 1 336.620 3.659 20 30 EHEDMO CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)Oc3ccccc3C#N)c2C1 ZINC000066514454 1129179996 /nfs/dbraw/zinc/17/99/96/1129179996.db2.gz QKBNSHLXDSOPQX-OAHLLOKOSA-N 1 1 349.434 3.690 20 30 EHEDMO CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)Oc3ccccc3C#N)c2C1 ZINC000066514454 1129180000 /nfs/dbraw/zinc/18/00/00/1129180000.db2.gz QKBNSHLXDSOPQX-OAHLLOKOSA-N 1 1 349.434 3.690 20 30 EHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000543248866 1129371463 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C#C[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000847024874 1137383058 /nfs/dbraw/zinc/38/30/58/1137383058.db2.gz MAERFCDRKRSKLO-ZDUSSCGKSA-N 1 1 345.240 3.949 20 30 EHEDMO C#C[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000847024874 1137383059 /nfs/dbraw/zinc/38/30/59/1137383059.db2.gz MAERFCDRKRSKLO-ZDUSSCGKSA-N 1 1 345.240 3.949 20 30 EHEDMO CCN1CC[NH+](Cc2ccc(Nc3ccc(C#N)c(F)c3)cc2)CC1 ZINC001204062230 1137396162 /nfs/dbraw/zinc/39/61/62/1137396162.db2.gz MEPUDVCGCVEGHD-UHFFFAOYSA-N 1 1 338.430 3.578 20 30 EHEDMO C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC001148630096 1137430117 /nfs/dbraw/zinc/43/01/17/1137430117.db2.gz XRASLYADIXDJJP-UTKZUKDTSA-N 1 1 347.462 3.708 20 30 EHEDMO C#CC[C@H]([NH2+][C@H](C)c1nnn(-c2ccccc2)c1C)c1ccccc1 ZINC000773117268 1137466386 /nfs/dbraw/zinc/46/63/86/1137466386.db2.gz VBQPSVSPUJARFJ-UZLBHIALSA-N 1 1 330.435 3.991 20 30 EHEDMO C=CCCC[N@H+](C)CN1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000773311315 1137489253 /nfs/dbraw/zinc/48/92/53/1137489253.db2.gz QMTITDFXOSQBHM-UHFFFAOYSA-N 1 1 341.377 3.803 20 30 EHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CCc3c(C)cccc3C1)C2 ZINC001171572441 1137498890 /nfs/dbraw/zinc/49/88/90/1137498890.db2.gz SLEDTDCQKRUVMP-RZUBCFFCSA-N 1 1 341.495 3.678 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H]1CCc3c(C)cccc3C1)C2 ZINC001171572436 1137499055 /nfs/dbraw/zinc/49/90/55/1137499055.db2.gz SLEDTDCQKRUVMP-ONTIZHBOSA-N 1 1 341.495 3.678 20 30 EHEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc(OCC(F)F)cc3)sc2C1 ZINC001213301328 1137509983 /nfs/dbraw/zinc/50/99/83/1137509983.db2.gz IFMZVHRSRFYQJV-UHFFFAOYSA-N 1 1 349.406 3.995 20 30 EHEDMO Cc1nc(-c2ccccc2)oc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001171791415 1137512566 /nfs/dbraw/zinc/51/25/66/1137512566.db2.gz JTAAXMUNNXKFIH-LJQANCHMSA-N 1 1 347.418 3.687 20 30 EHEDMO Cc1cccc(O[C@@H]2CCC[N@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)n1 ZINC001172312591 1137546444 /nfs/dbraw/zinc/54/64/44/1137546444.db2.gz HITSENWMRLVDDI-YLJYHZDGSA-N 1 1 335.451 3.736 20 30 EHEDMO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC001172314592 1137546535 /nfs/dbraw/zinc/54/65/35/1137546535.db2.gz KROUPKMNNZXEGD-DQLDELGASA-N 1 1 348.446 3.725 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC001172289821 1137548245 /nfs/dbraw/zinc/54/82/45/1137548245.db2.gz IQKYZSQYJODQHY-AUSIDOKSSA-N 1 1 347.506 3.991 20 30 EHEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1F)C(=O)Nc1ccc(C)cc1 ZINC000871873735 1137561677 /nfs/dbraw/zinc/56/16/77/1137561677.db2.gz UMKLYWYGOWHECV-SFHVURJKSA-N 1 1 325.387 3.513 20 30 EHEDMO C=CC(C)(C)CCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000872102637 1137571157 /nfs/dbraw/zinc/57/11/57/1137571157.db2.gz RXHHEJUUDNQTBF-QGZVFWFLSA-N 1 1 342.443 4.000 20 30 EHEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@@H](OC)c2cccc(Cl)c2)no1 ZINC000872174204 1137575298 /nfs/dbraw/zinc/57/52/98/1137575298.db2.gz ABBZYQDURCDAFQ-RYUDHWBXSA-N 1 1 328.199 3.601 20 30 EHEDMO COc1ccc(CCC=[NH+]n2c(SC)nnc2SC)c(C)c1 ZINC000872417962 1137579815 /nfs/dbraw/zinc/57/98/15/1137579815.db2.gz VSYMKYPXVDCESQ-UHFFFAOYSA-N 1 1 336.486 3.506 20 30 EHEDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000876650081 1137658242 /nfs/dbraw/zinc/65/82/42/1137658242.db2.gz NAKNNCXANBJOLN-QGZVFWFLSA-N 1 1 341.842 3.822 20 30 EHEDMO COc1cc(C[NH2+]Cc2cc(C#N)cnc2Cl)ccc1OC(C)C ZINC000876926458 1137665523 /nfs/dbraw/zinc/66/55/23/1137665523.db2.gz VLUOPJCIOGDPKO-UHFFFAOYSA-N 1 1 345.830 3.692 20 30 EHEDMO N#Cc1cnc(Cl)c(C[NH2+]C2(c3cccc(F)c3)CCOCC2)c1 ZINC000877063280 1137669108 /nfs/dbraw/zinc/66/91/08/1137669108.db2.gz CKMCWTVTZPUIDZ-UHFFFAOYSA-N 1 1 345.805 3.541 20 30 EHEDMO C#C[C@H]([NH2+]Cc1ccc(O[C@@H](C)COC)cc1)c1ccc(F)cc1 ZINC000825955776 1137674322 /nfs/dbraw/zinc/67/43/22/1137674322.db2.gz RQIDFPRCRAQKBG-YWZLYKJASA-N 1 1 327.399 3.704 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877599235 1137682575 /nfs/dbraw/zinc/68/25/75/1137682575.db2.gz RSPVYMLNJIZMDV-QGZVFWFLSA-N 1 1 349.478 3.712 20 30 EHEDMO Cn1cc(-c2ccc(C[N@@H+](C)CCc3cccc(C#N)c3)s2)cn1 ZINC000877704892 1137686445 /nfs/dbraw/zinc/68/64/45/1137686445.db2.gz PAAHFSUYYBXTOI-UHFFFAOYSA-N 1 1 336.464 3.695 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@@H+](C)CCc1cccs1)c1ccccc1 ZINC000878141331 1137704299 /nfs/dbraw/zinc/70/42/99/1137704299.db2.gz GSWMQBFBLMXRRS-IBGZPJMESA-N 1 1 326.465 3.663 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCS[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000878177989 1137705944 /nfs/dbraw/zinc/70/59/44/1137705944.db2.gz HLPCZPYVABJDJX-HSALFYBXSA-N 1 1 342.508 3.787 20 30 EHEDMO CCC[N@@H+](CC1(CC#N)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000878201430 1137706959 /nfs/dbraw/zinc/70/69/59/1137706959.db2.gz YZCQSQCDALYMHH-UHFFFAOYSA-N 1 1 335.492 3.792 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1cccc(N(C)C)c1)c1ccccc1 ZINC000878283562 1137709725 /nfs/dbraw/zinc/70/97/25/1137709725.db2.gz KBSTWHYTDFCVJS-QFIPXVFZSA-N 1 1 349.478 3.625 20 30 EHEDMO CCC[C@@]1(COC)CCC[N@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878523178 1137718840 /nfs/dbraw/zinc/71/88/40/1137718840.db2.gz ZEWRZTQSQYQFHQ-SFTDATJTSA-N 1 1 342.483 3.708 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCC[N@H+]2CC2(CC#N)CC2)C1 ZINC000878655384 1137723856 /nfs/dbraw/zinc/72/38/56/1137723856.db2.gz OAUYGWATGZOVIQ-DLBZAZTESA-N 1 1 347.503 3.792 20 30 EHEDMO N#Cc1ccccc1NC1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000878963444 1137733693 /nfs/dbraw/zinc/73/36/93/1137733693.db2.gz HRYFTNSCMCOKSP-UHFFFAOYSA-N 1 1 326.831 3.683 20 30 EHEDMO C=CCCC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000879022116 1137735505 /nfs/dbraw/zinc/73/55/05/1137735505.db2.gz GERRCNPTFCORNW-AZUAARDMSA-N 1 1 328.500 3.927 20 30 EHEDMO C[N@@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[C@H]1C#N ZINC000879311790 1137743994 /nfs/dbraw/zinc/74/39/94/1137743994.db2.gz VOQZLNDRHZAWJB-IRXDYDNUSA-N 1 1 335.492 3.648 20 30 EHEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC000879654850 1137753992 /nfs/dbraw/zinc/75/39/92/1137753992.db2.gz OYNQBVSEVGLJMK-KXBFYZLASA-N 1 1 337.508 3.942 20 30 EHEDMO C[C@H](CCC#N)[N@H+]1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC000879654847 1137754028 /nfs/dbraw/zinc/75/40/28/1137754028.db2.gz OYNQBVSEVGLJMK-BEFAXECRSA-N 1 1 337.508 3.942 20 30 EHEDMO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2cccc(Cl)c2)cn1 ZINC000880518733 1137780449 /nfs/dbraw/zinc/78/04/49/1137780449.db2.gz SRXORYOFOAKEPR-XGSMCBPESA-N 1 1 339.870 3.836 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000888862423 1137799037 /nfs/dbraw/zinc/79/90/37/1137799037.db2.gz DXAWSTBICZJACI-ILXRZTDVSA-N 1 1 331.485 3.607 20 30 EHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C3CC3)c(C#N)c2)C[C@H]1C ZINC000881125882 1137800816 /nfs/dbraw/zinc/80/08/16/1137800816.db2.gz WBCQFFFTLOYJRC-RDTXWAMCSA-N 1 1 340.471 3.772 20 30 EHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccc3cccnc31)C2 ZINC001137176166 1137824994 /nfs/dbraw/zinc/82/49/94/1137824994.db2.gz UFVUCEONJOINRS-PZJWPPBQSA-N 1 1 338.451 3.561 20 30 EHEDMO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2nc(C(C)C)c[nH]2)ccc1OC ZINC000882995958 1137840895 /nfs/dbraw/zinc/84/08/95/1137840895.db2.gz ULVFCYGOHNZGBW-HNNXBMFYSA-N 1 1 342.443 3.512 20 30 EHEDMO Fc1cc(F)cc(C(F)(F)C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000883280968 1137852223 /nfs/dbraw/zinc/85/22/23/1137852223.db2.gz VANADHXPWZIKGX-VXGBXAGGSA-N 1 1 345.258 3.756 20 30 EHEDMO C=CCCC[C@@H]([NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)c1ccccc1 ZINC000883325083 1137854907 /nfs/dbraw/zinc/85/49/07/1137854907.db2.gz NXIVSEOBTBQSIA-VQTJNVASSA-N 1 1 340.471 3.644 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000133646283 1137904687 /nfs/dbraw/zinc/90/46/87/1137904687.db2.gz ILLGNIHGKQBEKJ-KRWDZBQOSA-N 1 1 335.451 3.588 20 30 EHEDMO CC(C)c1nc([C@H]2CCC[N@H+](Cc3cccc(C#N)c3F)C2)no1 ZINC000332338764 1137940584 /nfs/dbraw/zinc/94/05/84/1137940584.db2.gz QQBVFGNYYHYPPO-HNNXBMFYSA-N 1 1 328.391 3.583 20 30 EHEDMO CC(C)c1nc([C@H]2CCC[N@@H+](Cc3cccc(C#N)c3F)C2)no1 ZINC000332338764 1137940585 /nfs/dbraw/zinc/94/05/85/1137940585.db2.gz QQBVFGNYYHYPPO-HNNXBMFYSA-N 1 1 328.391 3.583 20 30 EHEDMO N#CC1(C[C@H](O)C[N@@H+]2CCc3c(Cl)c(Cl)ccc3C2)CCC1 ZINC000885979844 1138030248 /nfs/dbraw/zinc/03/02/48/1138030248.db2.gz NOQQJZXWGLEYQN-ZDUSSCGKSA-N 1 1 339.266 3.796 20 30 EHEDMO N#CC1(C[C@H](O)C[N@H+]2CCc3c(Cl)c(Cl)ccc3C2)CCC1 ZINC000885979844 1138030250 /nfs/dbraw/zinc/03/02/50/1138030250.db2.gz NOQQJZXWGLEYQN-ZDUSSCGKSA-N 1 1 339.266 3.796 20 30 EHEDMO N#CC1(C[C@@H](O)C[N@@H+](Cc2ccccc2O)C2CCCC2)CCC1 ZINC000886009012 1138032077 /nfs/dbraw/zinc/03/20/77/1138032077.db2.gz ZMOVMTFPAHOJQP-GOSISDBHSA-N 1 1 328.456 3.582 20 30 EHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCCSC[C@H]2c2ccccc2)CCC1 ZINC000886318062 1138066913 /nfs/dbraw/zinc/06/69/13/1138066913.db2.gz IKXLKWVALBOVBH-MSOLQXFVSA-N 1 1 330.497 3.611 20 30 EHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3Cc3ccccc3)o2)cc1 ZINC000075595463 1138128818 /nfs/dbraw/zinc/12/88/18/1138128818.db2.gz PISPFHCLAXHPHZ-IBGZPJMESA-N 1 1 344.418 3.815 20 30 EHEDMO Cc1ccc(-c2noc(CCC[N@@H+](CCC#N)CC3CC3)n2)cc1F ZINC000081044249 1138165552 /nfs/dbraw/zinc/16/55/52/1138165552.db2.gz LGMYNSKNADMNCM-UHFFFAOYSA-N 1 1 342.418 3.742 20 30 EHEDMO COc1ccc(C[N@H+]2CC[C@H](OCC(C)C)C2)cc1OCCCC#N ZINC000091964658 1138223531 /nfs/dbraw/zinc/22/35/31/1138223531.db2.gz GKMCLGYNFMBAOF-SFHVURJKSA-N 1 1 346.471 3.625 20 30 EHEDMO CC(C)(C)n1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cn1 ZINC000092034457 1138224813 /nfs/dbraw/zinc/22/48/13/1138224813.db2.gz SQZLZQMIBZLULO-UHFFFAOYSA-N 1 1 338.455 3.553 20 30 EHEDMO CC(C)(CCC#N)C[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000093865597 1138242387 /nfs/dbraw/zinc/24/23/87/1138242387.db2.gz VTNGVWNLIQHMFD-INIZCTEOSA-N 1 1 338.398 3.991 20 30 EHEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000093865597 1138242388 /nfs/dbraw/zinc/24/23/88/1138242388.db2.gz VTNGVWNLIQHMFD-INIZCTEOSA-N 1 1 338.398 3.991 20 30 EHEDMO C[C@H]1C[C@H](N(C)C(=O)c2ccccc2-c2ccccc2C#N)CC[N@H+]1C ZINC000123878346 1138275751 /nfs/dbraw/zinc/27/57/51/1138275751.db2.gz PUXQVJZRQNWCME-FUHWJXTLSA-N 1 1 347.462 3.780 20 30 EHEDMO C=CCCc1ccccc1NC(=O)NCCCCn1cc[nH+]c1C ZINC000337605981 1138618782 /nfs/dbraw/zinc/61/87/82/1138618782.db2.gz PTIFDLQANYCVRZ-UHFFFAOYSA-N 1 1 326.444 3.912 20 30 EHEDMO Cc1ccccc1[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000337628792 1138626448 /nfs/dbraw/zinc/62/64/48/1138626448.db2.gz BWGXMIXOGNZRFO-FUHWJXTLSA-N 1 1 333.435 3.683 20 30 EHEDMO C[C@@H]1C[C@H](NC(=O)c2ccccc2-c2ccccc2C#N)C[N@H+]1C1CC1 ZINC000177089457 1139597212 /nfs/dbraw/zinc/59/72/12/1139597212.db2.gz AQMBJJYRTPGHES-WBVHZDCISA-N 1 1 345.446 3.580 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](Cc2nnc(CC)o2)C(C)(C)C)cc1 ZINC000177848528 1139646551 /nfs/dbraw/zinc/64/65/51/1139646551.db2.gz LNRKBSLGLVXNBY-UHFFFAOYSA-N 1 1 329.444 3.998 20 30 EHEDMO C=CCOc1ccc(C[N@H+](Cc2nnc(CC)o2)C(C)(C)C)cc1 ZINC000177848528 1139646555 /nfs/dbraw/zinc/64/65/55/1139646555.db2.gz LNRKBSLGLVXNBY-UHFFFAOYSA-N 1 1 329.444 3.998 20 30 EHEDMO C=CCCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000178588052 1139706415 /nfs/dbraw/zinc/70/64/15/1139706415.db2.gz QAKDDWUADOCILD-VQTJNVASSA-N 1 1 326.484 3.856 20 30 EHEDMO C[C@@H](NC1CC[NH+](C2CCCC2)CC1)c1ccc(OCC#N)cc1 ZINC000180543031 1139844505 /nfs/dbraw/zinc/84/45/05/1139844505.db2.gz SQIBGNZOASJPOW-MRXNPFEDSA-N 1 1 327.472 3.647 20 30 EHEDMO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000182045502 1139946927 /nfs/dbraw/zinc/94/69/27/1139946927.db2.gz RIVKCDQJYUHJDI-ZWKOTPCHSA-N 1 1 329.488 3.608 20 30 EHEDMO CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000182045502 1139946929 /nfs/dbraw/zinc/94/69/29/1139946929.db2.gz RIVKCDQJYUHJDI-ZWKOTPCHSA-N 1 1 329.488 3.608 20 30 EHEDMO N#CCSCCC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182607999 1139982088 /nfs/dbraw/zinc/98/20/88/1139982088.db2.gz GFCIPXQWECUXBM-OAHLLOKOSA-N 1 1 344.402 3.726 20 30 EHEDMO N#CCSCCC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182607999 1139982091 /nfs/dbraw/zinc/98/20/91/1139982091.db2.gz GFCIPXQWECUXBM-OAHLLOKOSA-N 1 1 344.402 3.726 20 30 EHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@]23CCOC3=O)cc1 ZINC000186632726 1140214836 /nfs/dbraw/zinc/21/48/36/1140214836.db2.gz OXYFEWLQRDQKGY-OAQYLSRUSA-N 1 1 332.403 3.507 20 30 EHEDMO C=C(C)[C@H]([NH2+]Cc1cnc2c(c1)c(C)nn2C)c1ccc(F)c(F)c1 ZINC000187372777 1140252508 /nfs/dbraw/zinc/25/25/08/1140252508.db2.gz QXNQMOFIHTVAGD-SFHVURJKSA-N 1 1 342.393 3.962 20 30 EHEDMO Cn1cc([C@H]2CSCC[N@@H+]2Cc2ccccc2C(C)(C)C#N)cn1 ZINC000191213621 1140445189 /nfs/dbraw/zinc/44/51/89/1140445189.db2.gz OGEHZAYJBLFXQG-GOSISDBHSA-N 1 1 340.496 3.511 20 30 EHEDMO Cn1cc([C@H]2CSCC[N@H+]2Cc2ccccc2C(C)(C)C#N)cn1 ZINC000191213621 1140445195 /nfs/dbraw/zinc/44/51/95/1140445195.db2.gz OGEHZAYJBLFXQG-GOSISDBHSA-N 1 1 340.496 3.511 20 30 EHEDMO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2CC(C)(C)CCC#N)n1 ZINC000191832744 1140488282 /nfs/dbraw/zinc/48/82/82/1140488282.db2.gz ZDZHTNFMFKTDGW-AWEZNQCLSA-N 1 1 335.473 3.787 20 30 EHEDMO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2CC(C)(C)CCC#N)n1 ZINC000191832744 1140488284 /nfs/dbraw/zinc/48/82/84/1140488284.db2.gz ZDZHTNFMFKTDGW-AWEZNQCLSA-N 1 1 335.473 3.787 20 30 EHEDMO COc1ccccc1-c1nc(CO[NH+]=C(N)C2CCCC2)cs1 ZINC000193574862 1140579055 /nfs/dbraw/zinc/57/90/55/1140579055.db2.gz RMHQPIGVIOLJHI-UHFFFAOYSA-N 1 1 331.441 3.798 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)s1 ZINC000194947371 1140626526 /nfs/dbraw/zinc/62/65/26/1140626526.db2.gz PRPSYZVTEPJIOH-UHFFFAOYSA-N 1 1 332.856 3.757 20 30 EHEDMO C=CCC(CC=C)C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC ZINC000268189518 1140900398 /nfs/dbraw/zinc/90/03/98/1140900398.db2.gz KPISQYGRIKGQLH-FQEVSTJZSA-N 1 1 341.499 3.663 20 30 EHEDMO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000269642086 1141130708 /nfs/dbraw/zinc/13/07/08/1141130708.db2.gz JNIPAYZJLPBOCT-LIRRHRJNSA-N 1 1 339.395 3.583 20 30 EHEDMO C[N@H+]1CC[C@H](CNc2ncccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270722700 1141262147 /nfs/dbraw/zinc/26/21/47/1141262147.db2.gz OSLBMVJMEOMCDH-PBHICJAKSA-N 1 1 344.821 3.851 20 30 EHEDMO C[N@@H+](CC(C)(C)CCC#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000271174765 1141318427 /nfs/dbraw/zinc/31/84/27/1141318427.db2.gz NFRNFAPDYGHXAX-UHFFFAOYSA-N 1 1 327.472 3.553 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]2c2ccccc2)cc1Cl ZINC000348539512 1141548904 /nfs/dbraw/zinc/54/89/04/1141548904.db2.gz NKTZVEDPUGAUJR-GOSISDBHSA-N 1 1 339.826 3.987 20 30 EHEDMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC(F)(C#N)CC1 ZINC000348717500 1141570213 /nfs/dbraw/zinc/57/02/13/1141570213.db2.gz UIYBNJIAYPZWTB-UHFFFAOYSA-N 1 1 340.446 3.684 20 30 EHEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H](C)c1ccc(F)cc1 ZINC001573340871 947520644 /nfs/dbraw/zinc/52/06/44/947520644.db2.gz BXWBVFYNAAAKTG-AWEZNQCLSA-N 1 1 337.402 3.755 20 30 EHEDMO C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430173406 1014556229 /nfs/dbraw/zinc/55/62/29/1014556229.db2.gz FNQDTGHBOWHJMX-DNVCBOLYSA-N 1 1 339.414 3.567 20 30 EHEDMO N#CC1(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000579789740 1014559597 /nfs/dbraw/zinc/55/95/97/1014559597.db2.gz HPTBMOWWIUMHDP-UHFFFAOYSA-N 1 1 333.151 3.861 20 30 EHEDMO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000430186580 1014659962 /nfs/dbraw/zinc/65/99/62/1014659962.db2.gz MINYPDIPOKTYKI-VWPQPMDRSA-N 1 1 347.462 3.917 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000610215034 1015008789 /nfs/dbraw/zinc/00/87/89/1015008789.db2.gz UVQPTTTVGQIRLV-IBGZPJMESA-N 1 1 336.435 3.510 20 30 EHEDMO Cc1ccc([C@H](NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000046529474 1015151901 /nfs/dbraw/zinc/15/19/01/1015151901.db2.gz JKAOBYFKRXEYMW-QFIPXVFZSA-N 1 1 347.462 3.566 20 30 EHEDMO Cc1ccc([C@H](NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000046529474 1015151909 /nfs/dbraw/zinc/15/19/09/1015151909.db2.gz JKAOBYFKRXEYMW-QFIPXVFZSA-N 1 1 347.462 3.566 20 30 EHEDMO C[N@@H+](CCOc1ccccc1C#N)[C@@H]1CCCN(c2ccccc2)C1 ZINC000471167684 1015207611 /nfs/dbraw/zinc/20/76/11/1015207611.db2.gz FUEAKXJLPOCCMG-HXUWFJFHSA-N 1 1 335.451 3.538 20 30 EHEDMO C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000183101442 1032130402 /nfs/dbraw/zinc/13/04/02/1032130402.db2.gz YEYYFDKUJIUVKU-HZPDHXFCSA-N 1 1 341.455 3.571 20 30 EHEDMO C=CCCC[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(F)c1)C2 ZINC001209160738 1015874199 /nfs/dbraw/zinc/87/41/99/1015874199.db2.gz BEJFJKDTHHSRRM-HXUWFJFHSA-N 1 1 332.463 3.711 20 30 EHEDMO Cc1nsc(NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1C#N ZINC000343026966 1015889864 /nfs/dbraw/zinc/88/98/64/1015889864.db2.gz PPBIJKNIRMFQNW-GOSISDBHSA-N 1 1 326.469 3.790 20 30 EHEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1Cl)C2 ZINC001204437774 1016098155 /nfs/dbraw/zinc/09/81/55/1016098155.db2.gz OKWDLLOBXQKYCB-AEFFLSMTSA-N 1 1 339.838 3.805 20 30 EHEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1Cl)C2 ZINC001204437774 1016098162 /nfs/dbraw/zinc/09/81/62/1016098162.db2.gz OKWDLLOBXQKYCB-AEFFLSMTSA-N 1 1 339.838 3.805 20 30 EHEDMO CC(C)(C#N)CC[NH+]1C[C@]2(C)CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC000705683297 1016163567 /nfs/dbraw/zinc/16/35/67/1016163567.db2.gz DOVSDXUBWXPSGM-NHCUHLMSSA-N 1 1 325.500 3.770 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@H](COCC)C1 ZINC000748094533 1016204139 /nfs/dbraw/zinc/20/41/39/1016204139.db2.gz NVWFYYOHVKYUPY-HNNXBMFYSA-N 1 1 331.485 3.630 20 30 EHEDMO CC(C)(C#N)CCC[N@@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000376557836 1016446179 /nfs/dbraw/zinc/44/61/79/1016446179.db2.gz LJNIPOIXUHTTGB-HUUCEWRRSA-N 1 1 332.448 3.778 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000376557836 1016446191 /nfs/dbraw/zinc/44/61/91/1016446191.db2.gz LJNIPOIXUHTTGB-HUUCEWRRSA-N 1 1 332.448 3.778 20 30 EHEDMO CC(C)(C#N)CCC[N@@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000376557839 1016446875 /nfs/dbraw/zinc/44/68/75/1016446875.db2.gz LJNIPOIXUHTTGB-LSDHHAIUSA-N 1 1 332.448 3.778 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000376557839 1016446886 /nfs/dbraw/zinc/44/68/86/1016446886.db2.gz LJNIPOIXUHTTGB-LSDHHAIUSA-N 1 1 332.448 3.778 20 30 EHEDMO C[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)Cc1cccc(C#N)c1 ZINC000189650278 1016618261 /nfs/dbraw/zinc/61/82/61/1016618261.db2.gz SNVBPBJSEZKINE-UHFFFAOYSA-N 1 1 334.398 3.574 20 30 EHEDMO C[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)Cc1cccc(C#N)c1 ZINC000189650278 1016618270 /nfs/dbraw/zinc/61/82/70/1016618270.db2.gz SNVBPBJSEZKINE-UHFFFAOYSA-N 1 1 334.398 3.574 20 30 EHEDMO COC(=O)c1cccc(C[N@H+](CCC(F)(F)F)CC2CC2)c1C#N ZINC000535961899 1016946946 /nfs/dbraw/zinc/94/69/46/1016946946.db2.gz AWZZYUIYLIEWBC-UHFFFAOYSA-N 1 1 340.345 3.509 20 30 EHEDMO COC(=O)c1cccc(C[N@@H+](CCC(F)(F)F)CC2CC2)c1C#N ZINC000535961899 1016946955 /nfs/dbraw/zinc/94/69/55/1016946955.db2.gz AWZZYUIYLIEWBC-UHFFFAOYSA-N 1 1 340.345 3.509 20 30 EHEDMO FC(F)(F)c1ccc(C#CC[NH2+]Cc2cnc(C3CC3)nc2)cc1 ZINC000459458120 1032159484 /nfs/dbraw/zinc/15/94/84/1032159484.db2.gz GZFPFUSIQSISHK-UHFFFAOYSA-N 1 1 331.341 3.514 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc(C(C)(C)c2ccc(OC)c(OC)c2)no1 ZINC000904700838 1032198319 /nfs/dbraw/zinc/19/83/19/1032198319.db2.gz RFPSCZSTHBJUFE-AWEZNQCLSA-N 1 1 345.443 3.769 20 30 EHEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2cnn(C)c2Cl)no1 ZINC000904735844 1032223385 /nfs/dbraw/zinc/22/33/85/1032223385.db2.gz LYUYEUVRFHQIPG-LBPRGKRZSA-N 1 1 325.844 3.874 20 30 EHEDMO C=CCCC[C@@H](C)NC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000538285842 1032257522 /nfs/dbraw/zinc/25/75/22/1032257522.db2.gz LNYWCBGZNFUAMV-HUUCEWRRSA-N 1 1 335.517 3.539 20 30 EHEDMO C=CCCC[C@@H](C)NC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000538285842 1032257539 /nfs/dbraw/zinc/25/75/39/1032257539.db2.gz LNYWCBGZNFUAMV-HUUCEWRRSA-N 1 1 335.517 3.539 20 30 EHEDMO C[C@H](Nc1ncc(C#N)cc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485142895 1032345245 /nfs/dbraw/zinc/34/52/45/1032345245.db2.gz BJEOJDJMKXLVSJ-YOEHRIQHSA-N 1 1 340.858 3.929 20 30 EHEDMO C[C@H](Cc1ccccc1)N1CCC([NH2+]CCc2cccc(C#N)c2)CC1 ZINC000449305658 1032425543 /nfs/dbraw/zinc/42/55/43/1032425543.db2.gz TVIIYCFAOOHRRA-LJQANCHMSA-N 1 1 347.506 3.786 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C1CC(C)(C)C1 ZINC000459744448 1032458727 /nfs/dbraw/zinc/45/87/27/1032458727.db2.gz RHVUGSZJNQIFIQ-CQSZACIVSA-N 1 1 345.512 3.997 20 30 EHEDMO C=CCCC[C@@H](C)[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000537049276 1032503607 /nfs/dbraw/zinc/50/36/07/1032503607.db2.gz ZZFVHVXMCLYFPF-LJQANCHMSA-N 1 1 328.500 3.898 20 30 EHEDMO COC[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000537122437 1032521709 /nfs/dbraw/zinc/52/17/09/1032521709.db2.gz WGBSYIJQGKOJGT-SFHVURJKSA-N 1 1 335.781 3.947 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cc1 ZINC000449424914 1032539959 /nfs/dbraw/zinc/53/99/59/1032539959.db2.gz PPWRXTAFZJVWMJ-LEWJYISDSA-N 1 1 341.426 3.551 20 30 EHEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000602081240 1032616506 /nfs/dbraw/zinc/61/65/06/1032616506.db2.gz VASAKDJGIKDJOT-KRWDZBQOSA-N 1 1 349.434 3.939 20 30 EHEDMO C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000602131140 1032662521 /nfs/dbraw/zinc/66/25/21/1032662521.db2.gz RBBAVNAOLYOGGS-FUHWJXTLSA-N 1 1 347.462 3.744 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC23CCCC3)c1 ZINC000593039962 1032676381 /nfs/dbraw/zinc/67/63/81/1032676381.db2.gz UHEBIFJCYIVFCM-UHFFFAOYSA-N 1 1 325.456 3.569 20 30 EHEDMO N#Cc1cnc2ccc(Cl)cc2c1NCC[NH+]1Cc2ccccc2C1 ZINC000610274614 1017270548 /nfs/dbraw/zinc/27/05/48/1017270548.db2.gz RZGRYOLECLLSCF-UHFFFAOYSA-N 1 1 348.837 3.609 20 30 EHEDMO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000176874753 1017492245 /nfs/dbraw/zinc/49/22/45/1017492245.db2.gz LDJMKDOJXSPBRY-UHFFFAOYSA-N 1 1 347.434 3.529 20 30 EHEDMO CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000528743308 1032718930 /nfs/dbraw/zinc/71/89/30/1032718930.db2.gz DUPHFSUCGINRFA-PMACEKPBSA-N 1 1 338.426 3.999 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cnn3ccccc23)cc1 ZINC000177616662 1017752279 /nfs/dbraw/zinc/75/22/79/1017752279.db2.gz UOTQDXGMELLVKK-JXMROGBWSA-N 1 1 328.375 3.725 20 30 EHEDMO Cc1cc(Cl)c2ncc(C#N)c(NC[C@H]3CCC[N@H+](C)C3)c2c1 ZINC000549260217 1017926730 /nfs/dbraw/zinc/92/67/30/1017926730.db2.gz FJDMDFYDCSRVTR-CYBMUJFWSA-N 1 1 328.847 3.822 20 30 EHEDMO Cn1cc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000449542927 1032730875 /nfs/dbraw/zinc/73/08/75/1032730875.db2.gz RQIYJHXNMLURLC-TZIWHRDSSA-N 1 1 332.451 3.579 20 30 EHEDMO C=CC[C@@H]1[N@H+](Cc2cccc(NS(C)(=O)=O)c2)CCCC1(C)C ZINC000683723550 1018175902 /nfs/dbraw/zinc/17/59/02/1018175902.db2.gz KZVYSXOIOAZIQN-KRWDZBQOSA-N 1 1 336.501 3.625 20 30 EHEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CCc2ccc(F)cc21 ZINC000593115605 1032764222 /nfs/dbraw/zinc/76/42/22/1032764222.db2.gz GLYBNGPORGQGNO-MRXNPFEDSA-N 1 1 330.447 3.888 20 30 EHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133031 1018530233 /nfs/dbraw/zinc/53/02/33/1018530233.db2.gz ACJNTGMSSCASMT-TZIWHRDSSA-N 1 1 344.499 3.511 20 30 EHEDMO CCOc1ccc(-c2nc(CO[NH+]=C(N)C3CCCC3)co2)cc1 ZINC000178771581 1018616889 /nfs/dbraw/zinc/61/68/89/1018616889.db2.gz RPGQYNKDKYDDGR-UHFFFAOYSA-N 1 1 329.400 3.719 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000377986049 1018630779 /nfs/dbraw/zinc/63/07/79/1018630779.db2.gz GDSXZAPDJTXOFK-VQTJNVASSA-N 1 1 343.434 3.539 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000377986049 1018630784 /nfs/dbraw/zinc/63/07/84/1018630784.db2.gz GDSXZAPDJTXOFK-VQTJNVASSA-N 1 1 343.434 3.539 20 30 EHEDMO C[C@H]1CN(Cc2ccc(C#N)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000449551291 1032780556 /nfs/dbraw/zinc/78/05/56/1032780556.db2.gz FODUTSSKILMUDQ-MRXNPFEDSA-N 1 1 325.481 3.574 20 30 EHEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC001167373282 1018903788 /nfs/dbraw/zinc/90/37/88/1018903788.db2.gz VHSTZHWGFARXOW-PZJWPPBQSA-N 1 1 338.451 3.627 20 30 EHEDMO CCN(C(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000135048803 1019206197 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330.453 3.575 20 30 EHEDMO C=C(C)C[N@@H+](CC)Cc1nc(-c2ccc(Br)s2)no1 ZINC000114562359 1024666650 /nfs/dbraw/zinc/66/66/50/1024666650.db2.gz DEHBHNQZCMKFLM-UHFFFAOYSA-N 1 1 342.262 3.959 20 30 EHEDMO C=C(C)C[N@H+](CC)Cc1nc(-c2ccc(Br)s2)no1 ZINC000114562359 1024666656 /nfs/dbraw/zinc/66/66/56/1024666656.db2.gz DEHBHNQZCMKFLM-UHFFFAOYSA-N 1 1 342.262 3.959 20 30 EHEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000330315263 1024690060 /nfs/dbraw/zinc/69/00/60/1024690060.db2.gz YOALQXVMSJKLSS-INIZCTEOSA-N 1 1 344.459 3.663 20 30 EHEDMO CC(C)(C)C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000507857992 1024735468 /nfs/dbraw/zinc/73/54/68/1024735468.db2.gz BCNUZFQGKSFGFO-UHFFFAOYSA-N 1 1 349.478 3.723 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1cccs1 ZINC000346559864 1024860872 /nfs/dbraw/zinc/86/08/72/1024860872.db2.gz CMJKJUARQJXNGV-AWEZNQCLSA-N 1 1 334.510 3.845 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1cccs1 ZINC000346559864 1024860890 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C=CCOc1ccc(CN[C@H](C)c2n[nH]c([C@@H](C)CC)n2)cc1OC ZINC000277415980 1025025893 /nfs/dbraw/zinc/02/58/93/1025025893.db2.gz MEBDNYOHIJRUOS-UONOGXRCSA-N 1 1 344.459 3.742 20 30 EHEDMO N#Cc1c(F)cccc1C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000428236758 1025102311 /nfs/dbraw/zinc/10/23/11/1025102311.db2.gz GTJGURQDWNVSSR-UHFFFAOYSA-N 1 1 338.426 3.921 20 30 EHEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000281490938 1025106545 /nfs/dbraw/zinc/10/65/45/1025106545.db2.gz QEHUMQCHLPOOIS-WOJBJXKFSA-N 1 1 344.499 3.628 20 30 EHEDMO C[C@H]1Cc2ccccc2C[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001167544460 1025149571 /nfs/dbraw/zinc/14/95/71/1025149571.db2.gz NORRRORDJYDAIL-HRAATJIYSA-N 1 1 345.446 3.500 20 30 EHEDMO C[N@@H+](Cc1ccccc1)C1(CNc2ccc(C#N)cc2)CCOCC1 ZINC000896106803 1025158456 /nfs/dbraw/zinc/15/84/56/1025158456.db2.gz NDGIRWJHIPMZHE-UHFFFAOYSA-N 1 1 335.451 3.651 20 30 EHEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000342410389 1025257056 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C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000444686160 1028130502 /nfs/dbraw/zinc/13/05/02/1028130502.db2.gz RRFURUQRFXMINF-INIZCTEOSA-N 1 1 333.435 3.549 20 30 EHEDMO C=CC[C@@H]1[N@H+](Cc2nnnn2-c2c(C)cccc2C)CCCC1(C)C ZINC000444774821 1028263565 /nfs/dbraw/zinc/26/35/65/1028263565.db2.gz KNWPEYJCMBAUFB-KRWDZBQOSA-N 1 1 339.487 3.846 20 30 EHEDMO C=CC[C@@H]1[N@@H+](Cc2nnnn2-c2c(C)cccc2C)CCCC1(C)C ZINC000444774821 1028263584 /nfs/dbraw/zinc/26/35/84/1028263584.db2.gz KNWPEYJCMBAUFB-KRWDZBQOSA-N 1 1 339.487 3.846 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]1(CO)CCC ZINC000444776255 1028266427 /nfs/dbraw/zinc/26/64/27/1028266427.db2.gz PADHIFHMYJYPNE-LJQANCHMSA-N 1 1 348.512 3.530 20 30 EHEDMO C=CC[C@@H]1[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)CCCC1(C)C ZINC000444787583 1028283662 /nfs/dbraw/zinc/28/36/62/1028283662.db2.gz RUTMFLZVHVLXOV-INIZCTEOSA-N 1 1 329.444 3.773 20 30 EHEDMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)CCCC1(C)C ZINC000444787583 1028283676 /nfs/dbraw/zinc/28/36/76/1028283676.db2.gz RUTMFLZVHVLXOV-INIZCTEOSA-N 1 1 329.444 3.773 20 30 EHEDMO CC(=O)c1ccccc1OCC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502527167 1028289791 /nfs/dbraw/zinc/28/97/91/1028289791.db2.gz FINKEADHCMBHKJ-UHFFFAOYSA-N 1 1 346.430 3.929 20 30 EHEDMO CC(=O)c1ccccc1OCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502527167 1028289808 /nfs/dbraw/zinc/28/98/08/1028289808.db2.gz FINKEADHCMBHKJ-UHFFFAOYSA-N 1 1 346.430 3.929 20 30 EHEDMO FC(F)(F)c1ccc(C#CC[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000237870130 1028326978 /nfs/dbraw/zinc/32/69/78/1028326978.db2.gz VADPWGXIPXCAAL-UHFFFAOYSA-N 1 1 347.336 3.618 20 30 EHEDMO C[C@@H]1CCN(Cc2ccc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000354017528 1028393761 /nfs/dbraw/zinc/39/37/61/1028393761.db2.gz KPTCAVYKRHUIJT-QGZVFWFLSA-N 1 1 337.442 3.794 20 30 EHEDMO N#Cc1ccc2c(c1)[C@H](NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)CC2 ZINC000423482432 1028461877 /nfs/dbraw/zinc/46/18/77/1028461877.db2.gz XPPKZSRFCYFJGW-KAGYGMCKSA-N 1 1 349.453 3.668 20 30 EHEDMO C=C1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000523606796 1028463790 /nfs/dbraw/zinc/46/37/90/1028463790.db2.gz VYQNHMWXBMLBCO-SJORKVTESA-N 1 1 326.484 3.783 20 30 EHEDMO C=CC[C@H]1N(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CCCC1(C)C ZINC000445006869 1028476212 /nfs/dbraw/zinc/47/62/12/1028476212.db2.gz DCBSGLXOUBVCGQ-NVXWUHKLSA-N 1 1 332.492 3.604 20 30 EHEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000428387503 1028482850 /nfs/dbraw/zinc/48/28/50/1028482850.db2.gz GNCQVVMHYKNSKK-HNNXBMFYSA-N 1 1 341.405 3.715 20 30 EHEDMO C[C@H]1CCC[C@](CNCc2cccc(OCCCC#N)c2)([NH+](C)C)C1 ZINC000237546064 1028653771 /nfs/dbraw/zinc/65/37/71/1028653771.db2.gz XQUKXCDQIZYPKG-RXVVDRJESA-N 1 1 343.515 3.969 20 30 EHEDMO C=CCOc1ccc(C[N@H+](CC)C[C@@H](O)C(F)(F)F)cc1Cl ZINC000428399153 1028713741 /nfs/dbraw/zinc/71/37/41/1028713741.db2.gz MTECINRUJAKSOG-CQSZACIVSA-N 1 1 337.769 3.650 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](CC)C[C@@H](O)C(F)(F)F)cc1Cl ZINC000428399153 1028713753 /nfs/dbraw/zinc/71/37/53/1028713753.db2.gz MTECINRUJAKSOG-CQSZACIVSA-N 1 1 337.769 3.650 20 30 EHEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC001211975865 1028726546 /nfs/dbraw/zinc/72/65/46/1028726546.db2.gz ROLODYJGCICUNX-IRXDYDNUSA-N 1 1 347.434 3.954 20 30 EHEDMO N#Cc1ccc(SCc2ccc(C[NH+]3CCOCC3)cc2)c(F)c1 ZINC000421837984 1028826656 /nfs/dbraw/zinc/82/66/56/1028826656.db2.gz SWANNXHMBCSZNB-UHFFFAOYSA-N 1 1 342.439 3.822 20 30 EHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000076070334 1028875018 /nfs/dbraw/zinc/87/50/18/1028875018.db2.gz FIHCXFJYHDBPOM-ROUUACIJSA-N 1 1 345.512 3.539 20 30 EHEDMO C=CCn1c(SCC[C@@H]2CCC[N@@H+]2C)nnc1-c1ccoc1C ZINC000153909316 1028904426 /nfs/dbraw/zinc/90/44/26/1028904426.db2.gz GWJYIBZHIXRRSB-AWEZNQCLSA-N 1 1 332.473 3.609 20 30 EHEDMO C=CCCC[N@H+](C)CC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000076736291 1029039142 /nfs/dbraw/zinc/03/91/42/1029039142.db2.gz BKFWOPWOMSOSIF-UHFFFAOYSA-N 1 1 329.469 3.955 20 30 EHEDMO C[C@H]1CCC[C@H](C)[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000532972302 1029149628 /nfs/dbraw/zinc/14/96/28/1029149628.db2.gz HPFYQIKWZCDGLD-KBPBESRZSA-N 1 1 345.512 3.948 20 30 EHEDMO Cc1sc(NC(=O)C[N@@H+]2CCCC3(CCCC3)C2)c(C#N)c1C ZINC000445848944 1029186929 /nfs/dbraw/zinc/18/69/29/1029186929.db2.gz ZQNZPAZPEIQUHH-UHFFFAOYSA-N 1 1 331.485 3.831 20 30 EHEDMO Cc1sc(NC(=O)C[N@H+]2CCCC3(CCCC3)C2)c(C#N)c1C ZINC000445848944 1029186937 /nfs/dbraw/zinc/18/69/37/1029186937.db2.gz ZQNZPAZPEIQUHH-UHFFFAOYSA-N 1 1 331.485 3.831 20 30 EHEDMO C=CCc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc(OC)c1O ZINC000245775576 1029276239 /nfs/dbraw/zinc/27/62/39/1029276239.db2.gz SPKDRNLSMDEMRI-MOPGFXCFSA-N 1 1 344.499 3.576 20 30 EHEDMO COCC[N@@H+](CCCc1ccccc1)Cc1ccc(OC)c(C#N)c1 ZINC000533079899 1029283616 /nfs/dbraw/zinc/28/36/16/1029283616.db2.gz KYFNYULZXPDWEB-UHFFFAOYSA-N 1 1 338.451 3.648 20 30 EHEDMO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)cc1C#N ZINC000533079864 1029284242 /nfs/dbraw/zinc/28/42/42/1029284242.db2.gz FGVYJAMCZWVEMA-HRAATJIYSA-N 1 1 336.435 3.837 20 30 EHEDMO COc1ccc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)cc1C#N ZINC000533079864 1029284250 /nfs/dbraw/zinc/28/42/50/1029284250.db2.gz FGVYJAMCZWVEMA-HRAATJIYSA-N 1 1 336.435 3.837 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000508552606 1029358619 /nfs/dbraw/zinc/35/86/19/1029358619.db2.gz NQVPJBKYUPQNTO-KRWDZBQOSA-N 1 1 339.435 3.815 20 30 EHEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000424842352 1029380502 /nfs/dbraw/zinc/38/05/02/1029380502.db2.gz SCWPNBHWEZIIRV-QGZVFWFLSA-N 1 1 326.440 3.829 20 30 EHEDMO C=CC1CC[NH+](CC(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000533287035 1029577524 /nfs/dbraw/zinc/57/75/24/1029577524.db2.gz MOUHCQPBVHMYOI-UHFFFAOYSA-N 1 1 327.453 3.647 20 30 EHEDMO CCC[N@@H+](Cc1cn2ccccc2c1C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000524895018 1029587979 /nfs/dbraw/zinc/58/79/79/1029587979.db2.gz DRWYUNYERKSWLB-PWIZWCRZSA-N 1 1 337.467 3.836 20 30 EHEDMO C=CCCC[N@H+](C)CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000533301625 1029603391 /nfs/dbraw/zinc/60/33/91/1029603391.db2.gz YXWLBHJZAJFQQD-UHFFFAOYSA-N 1 1 347.459 3.710 20 30 EHEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@H]2CCCC[C@@H]12 ZINC000583301165 1029607879 /nfs/dbraw/zinc/60/78/79/1029607879.db2.gz BFTMHNCVLSIXNT-MNEFBYGVSA-N 1 1 325.456 3.787 20 30 EHEDMO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026324733 1029644379 /nfs/dbraw/zinc/64/43/79/1029644379.db2.gz PSMLAUWPMSAJQH-GFCCVEGCSA-N 1 1 345.805 3.810 20 30 EHEDMO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026324733 1029644385 /nfs/dbraw/zinc/64/43/85/1029644385.db2.gz PSMLAUWPMSAJQH-GFCCVEGCSA-N 1 1 345.805 3.810 20 30 EHEDMO C=CCOCCCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000079567479 1029663511 /nfs/dbraw/zinc/66/35/11/1029663511.db2.gz YTJHTCGXYKPJDE-GOSISDBHSA-N 1 1 344.499 3.518 20 30 EHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](C)CCC[C@H]2C)c(OC)c1 ZINC000525127693 1029699044 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C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000447101723 1029940970 /nfs/dbraw/zinc/94/09/70/1029940970.db2.gz PYRFPLOPRKWHNM-OAHLLOKOSA-N 1 1 348.475 3.879 20 30 EHEDMO C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000447101723 1029940980 /nfs/dbraw/zinc/94/09/80/1029940980.db2.gz PYRFPLOPRKWHNM-OAHLLOKOSA-N 1 1 348.475 3.879 20 30 EHEDMO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000728569745 1030107568 /nfs/dbraw/zinc/10/75/68/1030107568.db2.gz LMILGTGTMGULBB-QGZVFWFLSA-N 1 1 345.462 3.606 20 30 EHEDMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000728569745 1030107577 /nfs/dbraw/zinc/10/75/77/1030107577.db2.gz LMILGTGTMGULBB-QGZVFWFLSA-N 1 1 345.462 3.606 20 30 EHEDMO N#Cc1cccc(OCC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000441257834 1030161907 /nfs/dbraw/zinc/16/19/07/1030161907.db2.gz BPIJUFHNKVIRAY-UHFFFAOYSA-N 1 1 337.379 3.510 20 30 EHEDMO CC(C)[N@@H+](C[C@H](O)COc1cccc2ccccc21)CC1(C#N)CC1 ZINC000343314865 1030237283 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EHEDMO CC[N@@H+](C)Cc1cccc(CNc2cc(C#N)c3ccccc3n2)c1 ZINC000540290059 1037786660 /nfs/dbraw/zinc/78/66/60/1037786660.db2.gz DLPDYZPNSASNDD-UHFFFAOYSA-N 1 1 330.435 3.592 20 30 EHEDMO COc1ccc2[nH]cc(C3CC[NH+](Cc4ccncc4C#N)CC3)c2c1 ZINC000592061224 1037808010 /nfs/dbraw/zinc/80/80/10/1037808010.db2.gz ANOSLNRVWBHNRU-UHFFFAOYSA-N 1 1 346.434 3.823 20 30 EHEDMO N#Cc1cnccc1C[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000592066601 1037825807 /nfs/dbraw/zinc/82/58/07/1037825807.db2.gz AENXRMJRDCAVAA-UHFFFAOYSA-N 1 1 333.435 3.833 20 30 EHEDMO N#Cc1cnccc1C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000592066601 1037825826 /nfs/dbraw/zinc/82/58/26/1037825826.db2.gz AENXRMJRDCAVAA-UHFFFAOYSA-N 1 1 333.435 3.833 20 30 EHEDMO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccncc1C#N ZINC000592066426 1037827398 /nfs/dbraw/zinc/82/73/98/1037827398.db2.gz CXYLHTWCACWGHG-UHFFFAOYSA-N 1 1 349.413 3.547 20 30 EHEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccncc1C#N ZINC000592066426 1037827421 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1038074387 /nfs/dbraw/zinc/07/43/87/1038074387.db2.gz KHSZPEKNXKNNQP-CQSZACIVSA-N 1 1 348.878 3.845 20 30 EHEDMO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000538726244 1038494427 /nfs/dbraw/zinc/49/44/27/1038494427.db2.gz GKGVYUMWOLACLU-SJORKVTESA-N 1 1 336.435 3.746 20 30 EHEDMO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000538726244 1038494430 /nfs/dbraw/zinc/49/44/30/1038494430.db2.gz GKGVYUMWOLACLU-SJORKVTESA-N 1 1 336.435 3.746 20 30 EHEDMO C=CCC[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC000470178936 1038567715 /nfs/dbraw/zinc/56/77/15/1038567715.db2.gz PXTQARQXZMJZGI-PMACEKPBSA-N 1 1 326.484 3.870 20 30 EHEDMO N#CCOc1cc(F)ccc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000183167004 1038677478 /nfs/dbraw/zinc/67/74/78/1038677478.db2.gz NSZXIRFBIAMHQF-GOSISDBHSA-N 1 1 339.414 3.805 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000461934084 1038682916 /nfs/dbraw/zinc/68/29/16/1038682916.db2.gz YLDAGAQBMNOIOV-FVJLSDCUSA-N 1 1 347.462 3.613 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000544111770 1038707153 /nfs/dbraw/zinc/70/71/53/1038707153.db2.gz ZUOGJZMPCIDIJV-KBPBESRZSA-N 1 1 343.496 3.724 20 30 EHEDMO COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000150166517 1038775616 /nfs/dbraw/zinc/77/56/16/1038775616.db2.gz XSBPYMSUBJOSOV-FQEVSTJZSA-N 1 1 349.434 3.733 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000511577116 1038910194 /nfs/dbraw/zinc/91/01/94/1038910194.db2.gz PMXPRGQHBRUJES-SFHVURJKSA-N 1 1 339.826 3.987 20 30 EHEDMO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(C)c1 ZINC000488205120 1038961865 /nfs/dbraw/zinc/96/18/65/1038961865.db2.gz UAOLPKYLMWVLOF-UHFFFAOYSA-N 1 1 336.435 3.822 20 30 EHEDMO Cc1cc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000488266317 1039022975 /nfs/dbraw/zinc/02/29/75/1039022975.db2.gz SFCCRWUUHWCMIJ-GCJKJVERSA-N 1 1 333.479 3.867 20 30 EHEDMO Cc1cc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000488266317 1039022993 /nfs/dbraw/zinc/02/29/93/1039022993.db2.gz SFCCRWUUHWCMIJ-GCJKJVERSA-N 1 1 333.479 3.867 20 30 EHEDMO C#CC[N@H+](CCC(=O)Nc1cccc(F)c1)[C@@H]1CCc2ccccc21 ZINC000728913171 1039122577 /nfs/dbraw/zinc/12/25/77/1039122577.db2.gz GSYAWQDZMYNTGL-HXUWFJFHSA-N 1 1 336.410 3.777 20 30 EHEDMO Cc1cccc2c1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000429578962 1039136940 /nfs/dbraw/zinc/13/69/40/1039136940.db2.gz PEZIYCIQXXQARV-SFHVURJKSA-N 1 1 347.462 3.689 20 30 EHEDMO Cc1cccc2c1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000429578962 1039136951 /nfs/dbraw/zinc/13/69/51/1039136951.db2.gz PEZIYCIQXXQARV-SFHVURJKSA-N 1 1 347.462 3.689 20 30 EHEDMO C=CCOc1ccc(C[NH2+][C@H](c2cnn(C)c2)c2ccccc2)cc1 ZINC000552318019 1039200500 /nfs/dbraw/zinc/20/05/00/1039200500.db2.gz NSAUBJKDIXYAFB-NRFANRHFSA-N 1 1 333.435 3.864 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000544117061 1039235066 /nfs/dbraw/zinc/23/50/66/1039235066.db2.gz IAKVAHLLWRILCX-QWHCGFSZSA-N 1 1 345.512 3.803 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000544117061 1039235077 /nfs/dbraw/zinc/23/50/77/1039235077.db2.gz IAKVAHLLWRILCX-QWHCGFSZSA-N 1 1 345.512 3.803 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)s1 ZINC000552497629 1039322235 /nfs/dbraw/zinc/32/22/35/1039322235.db2.gz SCTOKHLHMWIOQY-OAHLLOKOSA-N 1 1 328.412 3.996 20 30 EHEDMO C[C@@H]1CN(c2ccc(Br)cc2C#N)CC[N@H+](C2CCC2)C1 ZINC000488727384 1039348702 /nfs/dbraw/zinc/34/87/02/1039348702.db2.gz DSDSCLKLJJEFMG-ZDUSSCGKSA-N 1 1 348.288 3.631 20 30 EHEDMO Cc1ccccc1[C@H](C(C)C)[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000488809288 1039411381 /nfs/dbraw/zinc/41/13/81/1039411381.db2.gz XGSMKLMQRVULIH-VQTJNVASSA-N 1 1 329.488 3.678 20 30 EHEDMO CC(C)c1ccc2[nH]cc(C#N)c(=[NH+]Cc3cn4ccsc4n3)c2c1 ZINC000485797604 1039569792 /nfs/dbraw/zinc/56/97/92/1039569792.db2.gz LNPWHNNDBQTVBC-UHFFFAOYSA-N 1 1 347.447 3.973 20 30 EHEDMO C=CCCOCC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000138470566 1039647448 /nfs/dbraw/zinc/64/74/48/1039647448.db2.gz RDZJDRVUQJRZQR-UHFFFAOYSA-N 1 1 330.472 3.982 20 30 EHEDMO C=C(C)Cn1c(CC)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000549684192 1039668360 /nfs/dbraw/zinc/66/83/60/1039668360.db2.gz LHBINROFKLCEKA-QZTJIDSGSA-N 1 1 345.535 3.507 20 30 EHEDMO C=C(C)Cn1c(CC)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000549684194 1039669099 /nfs/dbraw/zinc/66/90/99/1039669099.db2.gz LHBINROFKLCEKA-ZWKOTPCHSA-N 1 1 345.535 3.507 20 30 EHEDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000584763044 1039758716 /nfs/dbraw/zinc/75/87/16/1039758716.db2.gz OXNLZAXISFQNPX-HUUCEWRRSA-N 1 1 346.500 3.639 20 30 EHEDMO Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc(C#N)n1 ZINC000553147723 1039817894 /nfs/dbraw/zinc/81/78/94/1039817894.db2.gz OTFAIMPEVRUGOE-KNQAVFIVSA-N 1 1 346.478 3.753 20 30 EHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000028896867 1039838787 /nfs/dbraw/zinc/83/87/87/1039838787.db2.gz XNPRAGJVHLWPAF-MRXNPFEDSA-N 1 1 325.437 3.785 20 30 EHEDMO C[N@H+](C/C=C/c1ccc(F)cc1F)CCOCc1ccc(C#N)cc1 ZINC000584808465 1039924953 /nfs/dbraw/zinc/92/49/53/1039924953.db2.gz RFWXETXTYYEXBC-NSCUHMNNSA-N 1 1 342.389 3.998 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccccc2C)cc1C ZINC000028932974 1039931758 /nfs/dbraw/zinc/93/17/58/1039931758.db2.gz FZNHYUGONJWSPO-UHFFFAOYSA-N 1 1 349.478 3.991 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccccc2C)cc1C ZINC000028932974 1039931783 /nfs/dbraw/zinc/93/17/83/1039931783.db2.gz FZNHYUGONJWSPO-UHFFFAOYSA-N 1 1 349.478 3.991 20 30 EHEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N[C@H](c1ccc(OC)cc1)C(C)C ZINC000489449120 1040004361 /nfs/dbraw/zinc/00/43/61/1040004361.db2.gz NPIJIIHBFVCKJK-PXNSSMCTSA-N 1 1 330.472 3.549 20 30 EHEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N[C@H](c1ccc(OC)cc1)C(C)C ZINC000489449120 1040004370 /nfs/dbraw/zinc/00/43/70/1040004370.db2.gz NPIJIIHBFVCKJK-PXNSSMCTSA-N 1 1 330.472 3.549 20 30 EHEDMO C=CCC[C@H](NC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1)c1ccccc1 ZINC000486512621 1040201287 /nfs/dbraw/zinc/20/12/87/1040201287.db2.gz ZTPLUMYRSUXDLB-OALUTQOASA-N 1 1 329.488 3.676 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000614160563 1040315247 /nfs/dbraw/zinc/31/52/47/1040315247.db2.gz DTSJYFZZFWBSII-UHFFFAOYSA-N 1 1 340.496 3.657 20 30 EHEDMO N#Cc1ccc2ncc(C[N@H+]3CCCC[C@@H]3Cc3ccccc3)n2c1 ZINC000512632874 1040352934 /nfs/dbraw/zinc/35/29/34/1040352934.db2.gz INEFXNVGPWHZOI-LJQANCHMSA-N 1 1 330.435 3.803 20 30 EHEDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614176763 1040381025 /nfs/dbraw/zinc/38/10/25/1040381025.db2.gz FBSHWLQKFVGAQL-SFHVURJKSA-N 1 1 342.483 3.899 20 30 EHEDMO C=CCOc1ccc(C[NH2+][C@H](C)CN2CCCCCC2)cc1OC ZINC000479580781 1040400908 /nfs/dbraw/zinc/40/09/08/1040400908.db2.gz GIRPEBRGUURWMC-QGZVFWFLSA-N 1 1 332.488 3.614 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)SCC[N@@H+](C)Cc1ccccc1 ZINC000433021083 1040476202 /nfs/dbraw/zinc/47/62/02/1040476202.db2.gz FJIHAWWGPLGFCL-QGZVFWFLSA-N 1 1 334.529 3.665 20 30 EHEDMO C=CCOCC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000555417100 1040566360 /nfs/dbraw/zinc/56/63/60/1040566360.db2.gz UGSJNXGQYBTPJE-OAHLLOKOSA-N 1 1 347.846 3.772 20 30 EHEDMO OCC1(c2ccccc2)CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000433072806 1040641186 /nfs/dbraw/zinc/64/11/86/1040641186.db2.gz DAJYQBNJLYMIOB-UHFFFAOYSA-N 1 1 339.866 3.718 20 30 EHEDMO C=CCC(C)(C)CNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000433119574 1040781436 /nfs/dbraw/zinc/78/14/36/1040781436.db2.gz VTARBUAIHKYHBV-MRXNPFEDSA-N 1 1 345.487 3.804 20 30 EHEDMO C=CCc1cc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc(OC)c1O ZINC000668783035 1040991242 /nfs/dbraw/zinc/99/12/42/1040991242.db2.gz JFGJGAQCOCXAJO-OYRHEFFESA-N 1 1 343.467 3.522 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(OC3CCC3)CC2)c(OC(F)F)c1 ZINC000419291240 1041116930 /nfs/dbraw/zinc/11/69/30/1041116930.db2.gz WRRQFOLRLQRMRK-UHFFFAOYSA-N 1 1 336.382 3.693 20 30 EHEDMO N#Cc1ccc2c(c1)CC[N@@H+](CCc1cccc(Br)c1)C2 ZINC001207504250 1041135267 /nfs/dbraw/zinc/13/52/67/1041135267.db2.gz ZXYSENQKVOICJJ-UHFFFAOYSA-N 1 1 341.252 3.922 20 30 EHEDMO N#Cc1ccc2c(c1)CC[N@H+](CCc1cccc(Br)c1)C2 ZINC001207504250 1041135280 /nfs/dbraw/zinc/13/52/80/1041135280.db2.gz ZXYSENQKVOICJJ-UHFFFAOYSA-N 1 1 341.252 3.922 20 30 EHEDMO C=C(C)[C@@H]([NH2+]CC(=O)N([C@H](C)C1CC1)C1CC1)c1ccc(F)c(F)c1 ZINC000481630475 1041176707 /nfs/dbraw/zinc/17/67/07/1041176707.db2.gz WTGIIYSJKJHXSK-ZUOKHONESA-N 1 1 348.437 3.961 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000367680488 1041183408 /nfs/dbraw/zinc/18/34/08/1041183408.db2.gz ALWKVDLOUOTIFV-WOJBJXKFSA-N 1 1 341.499 3.675 20 30 EHEDMO C[C@@H](CNCc1cccc(OCCCC#N)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000261730787 1041323158 /nfs/dbraw/zinc/32/31/58/1041323158.db2.gz YCPYSPHFUVXICS-ROUUACIJSA-N 1 1 329.488 3.579 20 30 EHEDMO C[C@@H](CNCc1cccc(OCCCC#N)c1)[N@H+]1CCC[C@H](C)C1 ZINC000261730787 1041323171 /nfs/dbraw/zinc/32/31/71/1041323171.db2.gz YCPYSPHFUVXICS-ROUUACIJSA-N 1 1 329.488 3.579 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)c2)C1 ZINC000053749256 1041421968 /nfs/dbraw/zinc/42/19/68/1041421968.db2.gz DKYVDGYNBNMEMD-BEFAXECRSA-N 1 1 334.423 3.515 20 30 EHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)C1 ZINC000053749289 1041424049 /nfs/dbraw/zinc/42/40/49/1041424049.db2.gz JCCBGENZSNYFPG-KXBFYZLASA-N 1 1 334.423 3.515 20 30 EHEDMO C[NH+](C)[C@@H](C(=O)N(CCC#N)CC(C)(C)C)c1ccc(Cl)cc1 ZINC001125955119 1041579746 /nfs/dbraw/zinc/57/97/46/1041579746.db2.gz HUSKXUFHBCAKBH-MRXNPFEDSA-N 1 1 335.879 3.731 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(OCc2cccnc2)cc1)[C@@H](C)COC ZINC000661243914 1042025245 /nfs/dbraw/zinc/02/52/45/1042025245.db2.gz PNPWILHKANJKNU-KRWDZBQOSA-N 1 1 326.440 3.684 20 30 EHEDMO C=C(C)CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000661263479 1042032465 /nfs/dbraw/zinc/03/24/65/1042032465.db2.gz KARWNFPTDCJKLM-LJQANCHMSA-N 1 1 341.499 3.554 20 30 EHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc(COc3ccc(F)cc3)no2)C1 ZINC000661378269 1042088547 /nfs/dbraw/zinc/08/85/47/1042088547.db2.gz BLBAWLVOKSDRFB-CQSZACIVSA-N 1 1 331.391 3.576 20 30 EHEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc(COc3ccc(F)cc3)no2)C1 ZINC000661378269 1042088554 /nfs/dbraw/zinc/08/85/54/1042088554.db2.gz BLBAWLVOKSDRFB-CQSZACIVSA-N 1 1 331.391 3.576 20 30 EHEDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000093284296 1042136486 /nfs/dbraw/zinc/13/64/86/1042136486.db2.gz UGKMKPVACAYBPF-MRXNPFEDSA-N 1 1 333.859 3.603 20 30 EHEDMO C[N@@H+](CCc1ccccc1Br)Cc1cccc(C#N)c1 ZINC001207533826 1042313146 /nfs/dbraw/zinc/31/31/46/1042313146.db2.gz LGTKDWYMLASUHJ-UHFFFAOYSA-N 1 1 329.241 3.995 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000662078288 1042499056 /nfs/dbraw/zinc/49/90/56/1042499056.db2.gz AIIQQOKGBSVOFV-XFFJZGRBSA-N 1 1 328.500 3.643 20 30 EHEDMO C=CCCCCCN(C)C(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662469809 1042750062 /nfs/dbraw/zinc/75/00/62/1042750062.db2.gz JHPBCKTZIWBVQQ-OAHLLOKOSA-N 1 1 339.277 3.654 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000663455339 1042873963 /nfs/dbraw/zinc/87/39/63/1042873963.db2.gz JANDTOWGZAQHNH-RVKKMQEKSA-N 1 1 347.890 3.835 20 30 EHEDMO C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000106245197 1042946371 /nfs/dbraw/zinc/94/63/71/1042946371.db2.gz KSESJAQOQSHQDT-UHFFFAOYSA-N 1 1 329.271 3.829 20 30 EHEDMO C[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000563151603 1042955550 /nfs/dbraw/zinc/95/55/50/1042955550.db2.gz UBZMZDZPLSRVEL-PMACEKPBSA-N 1 1 345.450 3.759 20 30 EHEDMO CC[N@@H+]1CC[C@@H](CNCc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000236824306 1043036990 /nfs/dbraw/zinc/03/69/90/1043036990.db2.gz ZHEFPKHAJNCMKE-IBGZPJMESA-N 1 1 349.478 3.569 20 30 EHEDMO CC[N@H+]1CC[C@@H](CNCc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000236824306 1043036993 /nfs/dbraw/zinc/03/69/93/1043036993.db2.gz ZHEFPKHAJNCMKE-IBGZPJMESA-N 1 1 349.478 3.569 20 30 EHEDMO Cc1cccc(C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000279354950 1043992240 /nfs/dbraw/zinc/99/22/40/1043992240.db2.gz GPCHTAZWRHOAJF-UHFFFAOYSA-N 1 1 345.450 3.799 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000051158744 1044405652 /nfs/dbraw/zinc/40/56/52/1044405652.db2.gz UKZFQHMYOGSZEN-IYBDPMFKSA-N 1 1 327.472 3.528 20 30 EHEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000183453236 1125568210 /nfs/dbraw/zinc/56/82/10/1125568210.db2.gz CXQMNAFTQNFMQY-LBPRGKRZSA-N 1 1 344.386 3.574 20 30 EHEDMO C=C1CC(C(=O)N2CCC[C@@]3(CC[N@H+](CCCC(F)(F)F)C3)C2)C1 ZINC001272708767 1125695611 /nfs/dbraw/zinc/69/56/11/1125695611.db2.gz DHJSPCQRBREBMD-KRWDZBQOSA-N 1 1 344.421 3.610 20 30 EHEDMO CCC(CC)C[N@H+](CCC#N)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000072692732 1126855213 /nfs/dbraw/zinc/85/52/13/1126855213.db2.gz SBFIGBPSRCWCKS-GOSISDBHSA-N 1 1 329.444 3.664 20 30 EHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000072692732 1126855217 /nfs/dbraw/zinc/85/52/17/1126855217.db2.gz SBFIGBPSRCWCKS-GOSISDBHSA-N 1 1 329.444 3.664 20 30 EHEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000072691400 1126855427 /nfs/dbraw/zinc/85/54/27/1126855427.db2.gz NJUNBQNJUVBLFR-UHFFFAOYSA-N 1 1 327.472 3.684 20 30 EHEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000072691400 1126855428 /nfs/dbraw/zinc/85/54/28/1126855428.db2.gz NJUNBQNJUVBLFR-UHFFFAOYSA-N 1 1 327.472 3.684 20 30 EHEDMO C=CCOc1c(Cl)cc(C[NH2+]Cc2cc(CC)no2)cc1OC ZINC000623428882 1126953470 /nfs/dbraw/zinc/95/34/70/1126953470.db2.gz CMDOYSGRUSEIFA-UHFFFAOYSA-N 1 1 336.819 3.754 20 30 EHEDMO C=CC[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000623527202 1126975946 /nfs/dbraw/zinc/97/59/46/1126975946.db2.gz LZALGAZGBBHVNW-SJORKVTESA-N 1 1 347.528 3.568 20 30 EHEDMO C=CCOc1c(Cl)cc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)cc1OC ZINC000623540674 1126980979 /nfs/dbraw/zinc/98/09/79/1126980979.db2.gz BRODIOCINABIDQ-WFASDCNBSA-N 1 1 347.846 3.906 20 30 EHEDMO C[C@H](NCC#Cc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185711062 1126989707 /nfs/dbraw/zinc/98/97/07/1126989707.db2.gz RNCYGRLHPYRTGG-FUHWJXTLSA-N 1 1 330.903 3.934 20 30 EHEDMO CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000063492933 1127025094 /nfs/dbraw/zinc/02/50/94/1127025094.db2.gz UWNMNYRFXZOHHK-UHFFFAOYSA-N 1 1 331.485 3.700 20 30 EHEDMO C=CC[C@H](C)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000083230058 1127238944 /nfs/dbraw/zinc/23/89/44/1127238944.db2.gz MGBQQRHHIWICFA-RXVVDRJESA-N 1 1 341.499 3.649 20 30 EHEDMO C=CCCC[C@@H](C)NC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000183112906 1127363747 /nfs/dbraw/zinc/36/37/47/1127363747.db2.gz VDSGEGDBTFSOLE-IAGOWNOFSA-N 1 1 345.487 3.946 20 30 EHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cncc(Br)c1 ZINC000194533524 1127462206 /nfs/dbraw/zinc/46/22/06/1127462206.db2.gz QNGPYRCKPWKETD-UHFFFAOYSA-N 1 1 342.240 3.904 20 30 EHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cncc(Br)c1 ZINC000194533524 1127462208 /nfs/dbraw/zinc/46/22/08/1127462208.db2.gz QNGPYRCKPWKETD-UHFFFAOYSA-N 1 1 342.240 3.904 20 30 EHEDMO CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000108359033 1128130837 /nfs/dbraw/zinc/13/08/37/1128130837.db2.gz XQGZZQIPIMLKCD-HOTGVXAUSA-N 1 1 345.512 3.999 20 30 EHEDMO CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000108359033 1128130839 /nfs/dbraw/zinc/13/08/39/1128130839.db2.gz XQGZZQIPIMLKCD-HOTGVXAUSA-N 1 1 345.512 3.999 20 30 EHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H]1COc2ccccc2O1 ZINC000671724646 1128132674 /nfs/dbraw/zinc/13/26/74/1128132674.db2.gz VVQHBZSVVHFSKP-SFHVURJKSA-N 1 1 341.455 3.682 20 30 EHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1COc2ccccc2O1 ZINC000671724646 1128132676 /nfs/dbraw/zinc/13/26/76/1128132676.db2.gz VVQHBZSVVHFSKP-SFHVURJKSA-N 1 1 341.455 3.682 20 30 EHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H](C)NC(=O)OC(C)(C)C ZINC000785444450 1128478206 /nfs/dbraw/zinc/47/82/06/1128478206.db2.gz ILCABKHZGZAADB-HNNXBMFYSA-N 1 1 331.460 3.682 20 30 EHEDMO N#Cc1nc(NCCc2[nH+]ccn2Cc2ccccc2)ccc1Cl ZINC000301211542 1128579174 /nfs/dbraw/zinc/57/91/74/1128579174.db2.gz USEMNUHGEIFTAU-UHFFFAOYSA-N 1 1 337.814 3.506 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000301304368 1128583750 /nfs/dbraw/zinc/58/37/50/1128583750.db2.gz XEVWVQHXVZOPNF-JKSUJKDBSA-N 1 1 342.443 3.557 20 30 EHEDMO Cc1nnc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(C#N)c1C ZINC000301417419 1128590679 /nfs/dbraw/zinc/59/06/79/1128590679.db2.gz MKWPJEMMSIZYKE-RHSMWYFYSA-N 1 1 341.484 3.522 20 30 EHEDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000301659707 1128601473 /nfs/dbraw/zinc/60/14/73/1128601473.db2.gz CDXJFCALCMSPEN-CQSZACIVSA-N 1 1 348.372 3.770 20 30 EHEDMO N#Cc1ccc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000357506978 1128604086 /nfs/dbraw/zinc/60/40/86/1128604086.db2.gz DTNCQQXWASGTCG-GOSISDBHSA-N 1 1 336.395 3.543 20 30 EHEDMO CC(C)C[N@H+]1CC[C@H](CNc2ccc(C#N)cc2Br)C1 ZINC000301850659 1128608758 /nfs/dbraw/zinc/60/87/58/1128608758.db2.gz FBEVGGMPOQQZKK-CQSZACIVSA-N 1 1 336.277 3.711 20 30 EHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000108355705 1128627900 /nfs/dbraw/zinc/62/79/00/1128627900.db2.gz OBUNOEMKKOWKDO-GJZGRUSLSA-N 1 1 331.485 3.609 20 30 EHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000108355705 1128627901 /nfs/dbraw/zinc/62/79/01/1128627901.db2.gz OBUNOEMKKOWKDO-GJZGRUSLSA-N 1 1 331.485 3.609 20 30 EHEDMO CCCC[N@@H+](CC)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000108358370 1128627971 /nfs/dbraw/zinc/62/79/71/1128627971.db2.gz DYYPJUQWWIYWBD-OAHLLOKOSA-N 1 1 333.501 3.999 20 30 EHEDMO Cc1ccc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)nc1C#N ZINC000302644635 1128639901 /nfs/dbraw/zinc/63/99/01/1128639901.db2.gz LWYULIJIAPJHHH-OAHLLOKOSA-N 1 1 326.469 3.647 20 30 EHEDMO N#Cc1cc(NCCc2cn3c([nH+]2)CCCC3)ccc1C(F)(F)F ZINC000302694536 1128642241 /nfs/dbraw/zinc/64/22/41/1128642241.db2.gz VWRPDRFPTKJZHY-UHFFFAOYSA-N 1 1 334.345 3.764 20 30 EHEDMO Cc1ccc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)nc1C#N ZINC000302727374 1128644203 /nfs/dbraw/zinc/64/42/03/1128644203.db2.gz SRIGGNNORUYAAK-UHFFFAOYSA-N 1 1 340.858 3.627 20 30 EHEDMO C[C@@H]1C[C@H](NCc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000404091542 1128676656 /nfs/dbraw/zinc/67/66/56/1128676656.db2.gz WTHJLBROQOYWLC-OXQOHEQNSA-N 1 1 337.442 3.840 20 30 EHEDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CCN1Cc1ccccc1 ZINC000404091542 1128676657 /nfs/dbraw/zinc/67/66/57/1128676657.db2.gz WTHJLBROQOYWLC-OXQOHEQNSA-N 1 1 337.442 3.840 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cn2ccccc2c1C#N ZINC000303929780 1128708264 /nfs/dbraw/zinc/70/82/64/1128708264.db2.gz WZLNOTSZDLJZNZ-SFHVURJKSA-N 1 1 344.462 3.517 20 30 EHEDMO CC[N@@H+](CC(=O)N(CC(C)C)C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469512 1128732423 /nfs/dbraw/zinc/73/24/23/1128732423.db2.gz HSRPIOFUZSDUQH-MRXNPFEDSA-N 1 1 327.472 3.588 20 30 EHEDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCc2ccccc21 ZINC000073715009 1128775583 /nfs/dbraw/zinc/77/55/83/1128775583.db2.gz JHIOJMUBFGYWQZ-SFHVURJKSA-N 1 1 339.826 3.769 20 30 EHEDMO C[C@@H](C1CC1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000073799386 1128778150 /nfs/dbraw/zinc/77/81/50/1128778150.db2.gz MQAZLHNYHYJWTJ-ZDUSSCGKSA-N 1 1 345.512 3.948 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC000307042081 1128808763 /nfs/dbraw/zinc/80/87/63/1128808763.db2.gz AQSOMQWLMVJZKF-DGCLKSJQSA-N 1 1 332.860 3.601 20 30 EHEDMO C[C@H]1C[NH+](Cc2ccccc2NCc2csc(C#N)c2)C[C@H](C)O1 ZINC000921873870 1128862556 /nfs/dbraw/zinc/86/25/56/1128862556.db2.gz NPKUZSLUPXSOTA-GJZGRUSLSA-N 1 1 341.480 3.841 20 30 EHEDMO COc1ccc([C@@H](C)[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000063492307 1128880636 /nfs/dbraw/zinc/88/06/36/1128880636.db2.gz NKBBTUMYADWZJE-OAHLLOKOSA-N 1 1 337.423 3.588 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000063506789 1128881116 /nfs/dbraw/zinc/88/11/16/1128881116.db2.gz PRJDNHQBFSFWLB-MRXNPFEDSA-N 1 1 346.434 3.842 20 30 EHEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(C)c(Cl)c2Cl)C1 ZINC001670362920 1120034270 /nfs/dbraw/zinc/03/42/70/1120034270.db2.gz RVYNTZLHTHCWBJ-GFCCVEGCSA-N 1 1 340.254 3.521 20 30 EHEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(C)c(Cl)c2Cl)C1 ZINC001670362920 1120034272 /nfs/dbraw/zinc/03/42/72/1120034272.db2.gz RVYNTZLHTHCWBJ-GFCCVEGCSA-N 1 1 340.254 3.521 20 30 EHEDMO Cc1occc1C[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000063559675 1128886306 /nfs/dbraw/zinc/88/63/06/1128886306.db2.gz MCTZMYVSCYSQFK-UHFFFAOYSA-N 1 1 331.803 3.574 20 30 EHEDMO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000008092439 1128902651 /nfs/dbraw/zinc/90/26/51/1128902651.db2.gz QUQQIQQBBLIBAX-UHFFFAOYSA-N 1 1 347.340 3.648 20 30 EHEDMO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000008092439 1128902655 /nfs/dbraw/zinc/90/26/55/1128902655.db2.gz QUQQIQQBBLIBAX-UHFFFAOYSA-N 1 1 347.340 3.648 20 30 EHEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000186021046 1120440493 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EHEDMO Cc1ccc(C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C(C)C)s1 ZINC000195652214 1123697302 /nfs/dbraw/zinc/69/73/02/1123697302.db2.gz PDQURIPDIAQQMO-UHFFFAOYSA-N 1 1 327.453 3.777 20 30 EHEDMO CCc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)s1 ZINC000609965240 1123699161 /nfs/dbraw/zinc/69/91/61/1123699161.db2.gz OSSZXXKAUOVGKD-UHFFFAOYSA-N 1 1 329.444 3.643 20 30 EHEDMO CC(C)C[C@H]1CCCCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610144732 1123735590 /nfs/dbraw/zinc/73/55/90/1123735590.db2.gz ZVWOVAXIESAXSV-UXHICEINSA-N 1 1 344.499 3.783 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000237603541 1123788087 /nfs/dbraw/zinc/78/80/87/1123788087.db2.gz AFWUUMWIAPBUJN-GCJKJVERSA-N 1 1 349.478 3.904 20 30 EHEDMO COc1ccc(C[N@H+](C)Cc2ccc(C)cn2)cc1OCCCC#N ZINC000616152135 1123952026 /nfs/dbraw/zinc/95/20/26/1123952026.db2.gz UYPVBYQSJMAEMU-UHFFFAOYSA-N 1 1 339.439 3.713 20 30 EHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C)cn2)cc1OCCCC#N ZINC000616152135 1123952028 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1 327.472 3.790 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000763493241 1124736167 /nfs/dbraw/zinc/73/61/67/1124736167.db2.gz SFSIHQVCFLXXIO-UGKGYDQZSA-N 1 1 345.446 3.953 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000089952660 1124877443 /nfs/dbraw/zinc/87/74/43/1124877443.db2.gz IDXDNPKFVNCWRJ-QZTJIDSGSA-N 1 1 344.524 3.974 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000618312206 1125043873 /nfs/dbraw/zinc/04/38/73/1125043873.db2.gz LIZQRNXJQVROGN-GOEBONIOSA-N 1 1 340.389 3.623 20 30 EHEDMO CC[N@@H+](CCc1ccccn1)Cc1cc(Cl)ccc1OCC#N ZINC000735308576 1131333781 /nfs/dbraw/zinc/33/37/81/1131333781.db2.gz JRLMFUQXIWPESD-UHFFFAOYSA-N 1 1 329.831 3.702 20 30 EHEDMO N#CCCn1cc(C[N@H+]2CC[C@H]2c2ccccc2)c(-c2ccncc2)n1 ZINC000619067489 1125271531 /nfs/dbraw/zinc/27/15/31/1125271531.db2.gz VZJJJBDKEWMMQJ-FQEVSTJZSA-N 1 1 343.434 3.806 20 30 EHEDMO N#Cc1csc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000093843060 1125318642 /nfs/dbraw/zinc/31/86/42/1125318642.db2.gz MYFXMWJXUFDGBU-SFHVURJKSA-N 1 1 326.465 3.843 20 30 EHEDMO N#C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000619784646 1125403900 /nfs/dbraw/zinc/40/39/00/1125403900.db2.gz HTVMTCGZBBITPA-IBGZPJMESA-N 1 1 325.843 3.722 20 30 EHEDMO C[C@H](C#N)Oc1ccc(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183099789 1125443632 /nfs/dbraw/zinc/44/36/32/1125443632.db2.gz XLQHXDUPSSAELN-ZIFCJYIRSA-N 1 1 341.499 3.720 20 30 EHEDMO C[C@H](C#N)Oc1ccc(CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183099789 1125443633 /nfs/dbraw/zinc/44/36/33/1125443633.db2.gz XLQHXDUPSSAELN-ZIFCJYIRSA-N 1 1 341.499 3.720 20 30 EHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCSC2(CCCCC2)C1 ZINC000079504418 1129270335 /nfs/dbraw/zinc/27/03/35/1129270335.db2.gz HNOMOGPZQUGRNN-UHFFFAOYSA-N 1 1 343.496 3.639 20 30 EHEDMO CC(N=Nc1c(F)cccc1F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735615328 1131363785 /nfs/dbraw/zinc/36/37/85/1131363785.db2.gz NAILVYNZLQLSDE-GOSISDBHSA-N 1 1 345.393 3.654 20 30 EHEDMO CC(N=Nc1c(F)cccc1F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735615328 1131363790 /nfs/dbraw/zinc/36/37/90/1131363790.db2.gz NAILVYNZLQLSDE-GOSISDBHSA-N 1 1 345.393 3.654 20 30 EHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000466351750 1129397658 /nfs/dbraw/zinc/39/76/58/1129397658.db2.gz GEKXPXPMNYDPTQ-YOEHRIQHSA-N 1 1 336.395 3.714 20 30 EHEDMO C=CC[C@@H](CC)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000466367592 1129406572 /nfs/dbraw/zinc/40/65/72/1129406572.db2.gz WZNQHPCFKSPQEY-PKOBYXMFSA-N 1 1 329.488 3.647 20 30 EHEDMO C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)C(=O)Nc1ccccc1C#N ZINC000069063648 1129419469 /nfs/dbraw/zinc/41/94/69/1129419469.db2.gz ISFLNNNIECAODE-STQMWFEESA-N 1 1 327.815 3.889 20 30 EHEDMO C[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC12CCC2 ZINC000329109394 1129591498 /nfs/dbraw/zinc/59/14/98/1129591498.db2.gz FXILCZBYKRTRDS-CYBMUJFWSA-N 1 1 331.847 3.662 20 30 EHEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC12CCC2 ZINC000329109394 1129591500 /nfs/dbraw/zinc/59/15/00/1129591500.db2.gz FXILCZBYKRTRDS-CYBMUJFWSA-N 1 1 331.847 3.662 20 30 EHEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCOCC34CCC4)c2)c1 ZINC000093510450 1129591657 /nfs/dbraw/zinc/59/16/57/1129591657.db2.gz MUFVDERLIMRYRX-UHFFFAOYSA-N 1 1 348.446 3.892 20 30 EHEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCOCC34CCC4)c2)c1 ZINC000093510450 1129591661 /nfs/dbraw/zinc/59/16/61/1129591661.db2.gz MUFVDERLIMRYRX-UHFFFAOYSA-N 1 1 348.446 3.892 20 30 EHEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093531794 1129592652 /nfs/dbraw/zinc/59/26/52/1129592652.db2.gz FODJBKLRUDXNLK-IFXJQAMLSA-N 1 1 334.398 3.928 20 30 EHEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093531794 1129592656 /nfs/dbraw/zinc/59/26/56/1129592656.db2.gz FODJBKLRUDXNLK-IFXJQAMLSA-N 1 1 334.398 3.928 20 30 EHEDMO C[C@H]1SCC[N@H+](Cc2cnc3ccc(C#N)cn23)[C@H]1c1ccccc1 ZINC000093535468 1129592853 /nfs/dbraw/zinc/59/28/53/1129592853.db2.gz BMPDGBYCGJVRIZ-FOIQADDNSA-N 1 1 348.475 3.885 20 30 EHEDMO C[C@H]1SCC[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@H]1c1ccccc1 ZINC000093535468 1129592857 /nfs/dbraw/zinc/59/28/57/1129592857.db2.gz BMPDGBYCGJVRIZ-FOIQADDNSA-N 1 1 348.475 3.885 20 30 EHEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCc3c2cc(Cl)cc3Cl)C1=O ZINC000499994223 1129617947 /nfs/dbraw/zinc/61/79/47/1129617947.db2.gz DXISMOHRSADZHL-HZPDHXFCSA-N 1 1 339.266 3.699 20 30 EHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000428951064 1129631982 /nfs/dbraw/zinc/63/19/82/1129631982.db2.gz DZEKSMLRUGIJLA-NRFANRHFSA-N 1 1 338.426 3.515 20 30 EHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000428951064 1129631985 /nfs/dbraw/zinc/63/19/85/1129631985.db2.gz DZEKSMLRUGIJLA-NRFANRHFSA-N 1 1 338.426 3.515 20 30 EHEDMO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(C#N)c1 ZINC000390753879 1129632161 /nfs/dbraw/zinc/63/21/61/1129632161.db2.gz WJNCSZWPHXIUAL-NRFANRHFSA-N 1 1 333.479 3.949 20 30 EHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(C#N)c1 ZINC000390753879 1129632163 /nfs/dbraw/zinc/63/21/63/1129632163.db2.gz WJNCSZWPHXIUAL-NRFANRHFSA-N 1 1 333.479 3.949 20 30 EHEDMO COc1cc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000281720160 1129714852 /nfs/dbraw/zinc/71/48/52/1129714852.db2.gz PCALBSOCBNYFOC-LAUBAEHRSA-N 1 1 349.478 3.567 20 30 EHEDMO COc1cc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000281720160 1129714856 /nfs/dbraw/zinc/71/48/56/1129714856.db2.gz PCALBSOCBNYFOC-LAUBAEHRSA-N 1 1 349.478 3.567 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@H+](C/C=C\c2ccc(F)cc2)CC1 ZINC000509093860 1129739831 /nfs/dbraw/zinc/73/98/31/1129739831.db2.gz KFBWJDGBXGEDJJ-HYXAFXHYSA-N 1 1 335.426 3.923 20 30 EHEDMO CN(C(=O)C[N@@H+](CC1CCCCC1)C1CC1)C1(C#N)CCCCC1 ZINC000059391051 1129986163 /nfs/dbraw/zinc/98/61/63/1129986163.db2.gz PXVGYOBMGAYIQZ-UHFFFAOYSA-N 1 1 331.504 3.716 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc2nsnc21 ZINC000766081619 1130220095 /nfs/dbraw/zinc/22/00/95/1130220095.db2.gz MPTFMVZOPQIKJN-SJLPKXTDSA-N 1 1 334.448 3.963 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc2nsnc21 ZINC000766081619 1130220098 /nfs/dbraw/zinc/22/00/98/1130220098.db2.gz MPTFMVZOPQIKJN-SJLPKXTDSA-N 1 1 334.448 3.963 20 30 EHEDMO C[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000173987034 1130327981 /nfs/dbraw/zinc/32/79/81/1130327981.db2.gz WCEUTCUPHSYYJI-STQMWFEESA-N 1 1 331.485 3.557 20 30 EHEDMO C[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)C[C@@H](c2ccsc2)O1 ZINC000246040767 1130338333 /nfs/dbraw/zinc/33/83/33/1130338333.db2.gz OXYCBLWULFDJDA-KXBFYZLASA-N 1 1 342.464 3.851 20 30 EHEDMO C[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)C[C@@H](c2ccsc2)O1 ZINC000246040767 1130338337 /nfs/dbraw/zinc/33/83/37/1130338337.db2.gz OXYCBLWULFDJDA-KXBFYZLASA-N 1 1 342.464 3.851 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1cc2ccccc2o1 ZINC000175185251 1130412502 /nfs/dbraw/zinc/41/25/02/1130412502.db2.gz GWXZLTGHXSYPES-UHFFFAOYSA-N 1 1 333.391 3.765 20 30 EHEDMO C=CCN(Cc1ccccc1)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000534559676 1130587168 /nfs/dbraw/zinc/58/71/68/1130587168.db2.gz NHTHBDFVNNHSOM-HXUWFJFHSA-N 1 1 335.451 3.571 20 30 EHEDMO C=CCN(Cc1ccccc1)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000534559676 1130587171 /nfs/dbraw/zinc/58/71/71/1130587171.db2.gz NHTHBDFVNNHSOM-HXUWFJFHSA-N 1 1 335.451 3.571 20 30 EHEDMO Cc1ccc2[nH]c3c(c2c1)C[N@H+](Cc1ccc(OCC#N)cc1)CC3 ZINC000731213486 1130777919 /nfs/dbraw/zinc/77/79/19/1130777919.db2.gz XDCPIFUMOHZXIP-UHFFFAOYSA-N 1 1 331.419 3.937 20 30 EHEDMO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1ccc(OCC#N)cc1)CC3 ZINC000731213486 1130777925 /nfs/dbraw/zinc/77/79/25/1130777925.db2.gz XDCPIFUMOHZXIP-UHFFFAOYSA-N 1 1 331.419 3.937 20 30 EHEDMO C#CCCOc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000733322290 1131024421 /nfs/dbraw/zinc/02/44/21/1131024421.db2.gz QNQRHHIUAGBTRT-UHFFFAOYSA-N 1 1 348.490 3.843 20 30 EHEDMO CCS[C@@H]1CCCC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000738222745 1131463994 /nfs/dbraw/zinc/46/39/94/1131463994.db2.gz SWJIHUBJFMGTSY-GOSISDBHSA-N 1 1 340.496 3.987 20 30 EHEDMO COc1ccc(C[NH2+][C@H](CN2CCCCC2)c2ccccc2)cc1C#N ZINC000742369589 1131716198 /nfs/dbraw/zinc/71/61/98/1131716198.db2.gz MYZXNSYCODJGDF-OAQYLSRUSA-N 1 1 349.478 3.884 20 30 EHEDMO N#Cc1cc(F)ccc1N1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000742400722 1131726063 /nfs/dbraw/zinc/72/60/63/1131726063.db2.gz JZFMZALWVPNTPI-UHFFFAOYSA-N 1 1 335.382 3.766 20 30 EHEDMO C[C@H](CCCC#N)[N@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001172495890 1131759196 /nfs/dbraw/zinc/75/91/96/1131759196.db2.gz VYIJUCLJHXNWAM-SJLPKXTDSA-N 1 1 348.441 3.701 20 30 EHEDMO CCCCCCCC[C@H](CC)[NH+]1CC2(C1)[C@@H](CF)CCS2(=O)=O ZINC001172505073 1131762470 /nfs/dbraw/zinc/76/24/70/1131762470.db2.gz JMPXAJRTOSQZBB-SJORKVTESA-N 1 1 347.540 3.974 20 30 EHEDMO C=C(Cl)C[NH+]1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000743278704 1131883854 /nfs/dbraw/zinc/88/38/54/1131883854.db2.gz PATXVWGUYKUTTO-OAHLLOKOSA-N 1 1 328.884 3.850 20 30 EHEDMO C=CCOC1CCC([NH2+][C@H](C(=O)OCc2ccccc2)C(C)C)CC1 ZINC001173313307 1132037379 /nfs/dbraw/zinc/03/73/79/1132037379.db2.gz UKPNDMFBULXKEN-MHJFOBGBSA-N 1 1 345.483 3.858 20 30 EHEDMO C=CCOC1CCC([N@@H+]2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)CC1 ZINC001173322221 1132045544 /nfs/dbraw/zinc/04/55/44/1132045544.db2.gz YXRUPKNDXHCXOL-SLTXQBBLSA-N 1 1 335.410 3.526 20 30 EHEDMO C=CCOC1CCC([N@H+]2CCC[C@@]3(CCC(=O)N3CC=C)CC2)CC1 ZINC001173321751 1132046025 /nfs/dbraw/zinc/04/60/25/1132046025.db2.gz SOWHQBWZWAFTEG-GZNCHQMQSA-N 1 1 346.515 3.533 20 30 EHEDMO C=CCOC1CCC([N@H+](CC(=O)OCC)Cc2ccsc2)CC1 ZINC001173326847 1132048212 /nfs/dbraw/zinc/04/82/12/1132048212.db2.gz UFPYBRYQFNGAHM-UHFFFAOYSA-N 1 1 337.485 3.627 20 30 EHEDMO C=CCOC1CCC([N@@H+](CC(=O)OCC)Cc2ccsc2)CC1 ZINC001173326847 1132048217 /nfs/dbraw/zinc/04/82/17/1132048217.db2.gz UFPYBRYQFNGAHM-UHFFFAOYSA-N 1 1 337.485 3.627 20 30 EHEDMO N#CCC1CCC(N[C@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC001173330981 1132049585 /nfs/dbraw/zinc/04/95/85/1132049585.db2.gz YKXKUOVZSBGLLB-VDSRIPIWSA-N 1 1 336.277 3.511 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@]12CC[N@H+](C1CCC(CC#N)CC1)C2 ZINC001173331589 1132050360 /nfs/dbraw/zinc/05/03/60/1132050360.db2.gz QJDQYHDZYIREMV-RJYAGPCLSA-N 1 1 333.476 3.544 20 30 EHEDMO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1C1CCC(CC#N)CC1 ZINC001173331754 1132050725 /nfs/dbraw/zinc/05/07/25/1132050725.db2.gz SSSOLCCUUARYDX-RYTJFDOTSA-N 1 1 335.492 3.789 20 30 EHEDMO N#CCC1CCC([N@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)CC1 ZINC001173336150 1132051914 /nfs/dbraw/zinc/05/19/14/1132051914.db2.gz PMHHBBMMXSZFOG-DXBWTPJFSA-N 1 1 332.488 3.509 20 30 EHEDMO COC(=O)[C@@H]1CC[N@H+](C2CCC(C)(C#N)CC2)[C@H]1c1ccccc1 ZINC001173594137 1132099379 /nfs/dbraw/zinc/09/93/79/1132099379.db2.gz SQKIPCSOCNIABE-NNVNDSJASA-N 1 1 326.440 3.695 20 30 EHEDMO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](C3CCC(C)(C#N)CC3)C[C@@H]21 ZINC001173597274 1132101269 /nfs/dbraw/zinc/10/12/69/1132101269.db2.gz ODXIMVDWBOXEBA-JIIQJOAVSA-N 1 1 347.503 3.694 20 30 EHEDMO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)C1CCC(C)(C#N)CC1 ZINC001173601112 1132101616 /nfs/dbraw/zinc/10/16/16/1132101616.db2.gz OWQYGPBCLFOZDR-TVRKMHQQSA-N 1 1 338.492 3.529 20 30 EHEDMO C[C@@H]1CC[N@H+](C2CCC(C)(C#N)CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001173600583 1132102119 /nfs/dbraw/zinc/10/21/19/1132102119.db2.gz FONUXFNBEZFWGT-HITAIPBASA-N 1 1 335.492 3.694 20 30 EHEDMO C#C[C@H]1CCC[N@H+](C2CCC(c3ccc(OC(C)=O)cc3)CC2)C1 ZINC001173789472 1132149496 /nfs/dbraw/zinc/14/94/96/1132149496.db2.gz JGEKDYXESZLVAO-ZJRDLVKKSA-N 1 1 325.452 3.983 20 30 EHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cn1c2ccccc2oc1=O ZINC000746061489 1132355638 /nfs/dbraw/zinc/35/56/38/1132355638.db2.gz CWZATNXGJREMCN-UHFFFAOYSA-N 1 1 335.407 3.582 20 30 EHEDMO COC(=O)c1cc(C#N)ccc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175506558 1132694424 /nfs/dbraw/zinc/69/44/24/1132694424.db2.gz GHPLVFSXISOFBK-UHFFFAOYSA-N 1 1 347.418 3.547 20 30 EHEDMO CCCCCCCC[N@@H+](CCN)[C@H]1CCCN(C(=O)OCC)CC1 ZINC001169663103 1132813321 /nfs/dbraw/zinc/81/33/21/1132813321.db2.gz VBLCEFKLIBKDCH-SFHVURJKSA-N 1 1 341.540 3.619 20 30 EHEDMO CCCCCCCCN(CC[NH3+])[C@H]1CCCN(C(=O)OCC)CC1 ZINC001169663103 1132813329 /nfs/dbraw/zinc/81/33/29/1132813329.db2.gz VBLCEFKLIBKDCH-SFHVURJKSA-N 1 1 341.540 3.619 20 30 EHEDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001169900700 1132892529 /nfs/dbraw/zinc/89/25/29/1132892529.db2.gz NYDGKQWQCAYJDF-RTBURBONSA-N 1 1 344.842 3.565 20 30 EHEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccc(C)s3)C2)C1 ZINC001204030082 1132902851 /nfs/dbraw/zinc/90/28/51/1132902851.db2.gz RUUOOBBQOSJXQK-GOSISDBHSA-N 1 1 334.485 3.667 20 30 EHEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000766904630 1132916902 /nfs/dbraw/zinc/91/69/02/1132916902.db2.gz AHKNYLANOKYBDO-OAHLLOKOSA-N 1 1 339.220 3.842 20 30 EHEDMO N#Cc1ccc([C@@H]2C[N@@H+](Cc3cccc4ncccc34)CCO2)cc1 ZINC001176589687 1132962223 /nfs/dbraw/zinc/96/22/23/1132962223.db2.gz XXXOXSOBRXIZQX-NRFANRHFSA-N 1 1 329.403 3.680 20 30 EHEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC001176771932 1133000856 /nfs/dbraw/zinc/00/08/56/1133000856.db2.gz YIECWPZKGVEZJG-MRXNPFEDSA-N 1 1 327.424 3.992 20 30 EHEDMO Cc1cccnc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1Br ZINC001176898433 1133013417 /nfs/dbraw/zinc/01/34/17/1133013417.db2.gz SKWDCQPYYZAOTJ-GFCCVEGCSA-N 1 1 330.229 3.875 20 30 EHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cccc4nsnc43)CC2)cc1 ZINC000767733141 1133047428 /nfs/dbraw/zinc/04/74/28/1133047428.db2.gz YLNGYJFKOSHMEA-UHFFFAOYSA-N 1 1 332.432 3.852 20 30 EHEDMO C#CCOc1ccccc1C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000768234686 1133116283 /nfs/dbraw/zinc/11/62/83/1133116283.db2.gz MZQVGVOAIWQDSD-UHFFFAOYSA-N 1 1 343.430 3.864 20 30 EHEDMO C[C@H](c1ccccc1)N(C(=O)[C@H]1CCCC[N@@H+]1C)C1=CC(=O)CCC1 ZINC001178697553 1133192157 /nfs/dbraw/zinc/19/21/57/1133192157.db2.gz XYMMNJRNDDWEJY-OXQOHEQNSA-N 1 1 340.467 3.697 20 30 EHEDMO C[C@H](c1ccccc1)N(C(=O)[C@H]1CCCC[N@H+]1C)C1=CC(=O)CCC1 ZINC001178697553 1133192160 /nfs/dbraw/zinc/19/21/60/1133192160.db2.gz XYMMNJRNDDWEJY-OXQOHEQNSA-N 1 1 340.467 3.697 20 30 EHEDMO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000768930649 1133205988 /nfs/dbraw/zinc/20/59/88/1133205988.db2.gz NXXHSZNUBSEGGC-KRWDZBQOSA-N 1 1 335.451 3.992 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000769195797 1133242249 /nfs/dbraw/zinc/24/22/49/1133242249.db2.gz PMJWFXJIVXNOTJ-QGZVFWFLSA-N 1 1 346.471 3.598 20 30 EHEDMO CCN(Cc1csc(C#N)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001179945217 1133304242 /nfs/dbraw/zinc/30/42/42/1133304242.db2.gz FJUIHOGPTHSJFE-SFHVURJKSA-N 1 1 339.508 3.964 20 30 EHEDMO COc1cc(CN2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC001180142948 1133331530 /nfs/dbraw/zinc/33/15/30/1133331530.db2.gz SHBBTZFKBWIHCJ-ROUUACIJSA-N 1 1 349.478 3.662 20 30 EHEDMO N#Cc1ccc(N2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)c(F)c1 ZINC001180177502 1133335427 /nfs/dbraw/zinc/33/54/27/1133335427.db2.gz AUPCAHFWNVEMHJ-OWOJBTEDSA-N 1 1 339.389 3.672 20 30 EHEDMO CC(=NNCc1ccc(C#N)cc1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000769820570 1133343203 /nfs/dbraw/zinc/34/32/03/1133343203.db2.gz IDFBFXVIRDBUFZ-UHFFFAOYSA-N 1 1 329.407 3.566 20 30 EHEDMO NC(=[NH+]OCC1CCC(C(F)(F)F)CC1)c1ccc2c(c1)CCO2 ZINC000769826609 1133352354 /nfs/dbraw/zinc/35/23/54/1133352354.db2.gz HALUBERFPVJLTD-UHFFFAOYSA-N 1 1 342.361 3.627 20 30 EHEDMO CCCCCCC[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001181132725 1133457016 /nfs/dbraw/zinc/45/70/16/1133457016.db2.gz HOJGFUGSHTWJAP-MJGOQNOKSA-N 1 1 331.504 3.769 20 30 EHEDMO CCCCCCC[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001181132725 1133457018 /nfs/dbraw/zinc/45/70/18/1133457018.db2.gz HOJGFUGSHTWJAP-MJGOQNOKSA-N 1 1 331.504 3.769 20 30 EHEDMO C=CCSCC(=O)N1CC2(C1)CC[N@H+](C[C@@H](CC)CCCC)C2 ZINC001273477211 1133727122 /nfs/dbraw/zinc/72/71/22/1133727122.db2.gz BJMHNAAFXZNEMP-KRWDZBQOSA-N 1 1 338.561 3.656 20 30 EHEDMO C=CCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CCCC1 ZINC001182865557 1133741283 /nfs/dbraw/zinc/74/12/83/1133741283.db2.gz ZMNMQIMGLVBFSP-UHFFFAOYSA-N 1 1 334.416 3.925 20 30 EHEDMO C=C(C)CN(CC)C(=O)CCC[N@@H+](CC)[C@H](C)Cc1ccc(O)cc1 ZINC001183051101 1133759816 /nfs/dbraw/zinc/75/98/16/1133759816.db2.gz PPCRGNJKCDIRRM-GOSISDBHSA-N 1 1 346.515 3.850 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC001183065385 1133765022 /nfs/dbraw/zinc/76/50/22/1133765022.db2.gz KJPKXURCCWKKLW-AWEZNQCLSA-N 1 1 333.357 3.736 20 30 EHEDMO COC[C@H](C)Oc1ccc(C[N@@H+](C)CCc2cccc(C#N)c2)cc1 ZINC001183430519 1133805452 /nfs/dbraw/zinc/80/54/52/1133805452.db2.gz XJHHWMUKFALMKA-KRWDZBQOSA-N 1 1 338.451 3.646 20 30 EHEDMO C#CC[C@H](OC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)C(C)(C)C ZINC000786491114 1133854134 /nfs/dbraw/zinc/85/41/34/1133854134.db2.gz OHOMGNMOTYLQBK-AWEZNQCLSA-N 1 1 347.365 3.800 20 30 EHEDMO CC(C)(C#N)CC(=O)OC[C@@]1(C)CCCC[N@H+]1Cc1ccccc1 ZINC000786489058 1133854306 /nfs/dbraw/zinc/85/43/06/1133854306.db2.gz SYJVEEIXUZTSJR-HXUWFJFHSA-N 1 1 328.456 3.914 20 30 EHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1ccc(OCC#N)cc1 ZINC000746676277 1133993284 /nfs/dbraw/zinc/99/32/84/1133993284.db2.gz JJSWJASDJQQWRC-IBGZPJMESA-N 1 1 349.478 3.685 20 30 EHEDMO C[C@H]1CCN(Cc2ccccc2)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000746676277 1133993288 /nfs/dbraw/zinc/99/32/88/1133993288.db2.gz JJSWJASDJQQWRC-IBGZPJMESA-N 1 1 349.478 3.685 20 30 EHEDMO C[C@H]1CCN(Cc2ccccc2)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000746676277 1133993294 /nfs/dbraw/zinc/99/32/94/1133993294.db2.gz JJSWJASDJQQWRC-IBGZPJMESA-N 1 1 349.478 3.685 20 30 EHEDMO C#Cc1ccc(CNCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1 ZINC000787773294 1134038955 /nfs/dbraw/zinc/03/89/55/1134038955.db2.gz PUCVWOIXZDUOBD-IBGZPJMESA-N 1 1 348.490 3.658 20 30 EHEDMO N#Cc1ccc(CNc2nc(N3Cc4ccccc4C3)cc[nH+]2)cc1F ZINC001170091142 1134183556 /nfs/dbraw/zinc/18/35/56/1134183556.db2.gz XHTKUMHEXVRQRF-UHFFFAOYSA-N 1 1 345.381 3.620 20 30 EHEDMO Clc1cccc(N2CCCC2)c1C=[NH+]NCCc1ccccn1 ZINC000789113162 1134226486 /nfs/dbraw/zinc/22/64/86/1134226486.db2.gz QZDNGOXMOQFAIX-UHFFFAOYSA-N 1 1 328.847 3.501 20 30 EHEDMO Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)ncc1C#N ZINC001187174421 1134311745 /nfs/dbraw/zinc/31/17/45/1134311745.db2.gz GIPAIISFBBZPHF-FQEVSTJZSA-N 1 1 346.478 3.976 20 30 EHEDMO C=CCC1(C(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)CCC1 ZINC000790250799 1134386289 /nfs/dbraw/zinc/38/62/89/1134386289.db2.gz SVAHZVRXDWRVTN-UHFFFAOYSA-N 1 1 349.478 3.625 20 30 EHEDMO C=CC[N@@H+](CCc1ccco1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790343502 1134406736 /nfs/dbraw/zinc/40/67/36/1134406736.db2.gz ZXTGFMIUVWVAHV-HXUWFJFHSA-N 1 1 338.451 3.501 20 30 EHEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000775183063 1134488375 /nfs/dbraw/zinc/48/83/75/1134488375.db2.gz HNGIMTJWNICQMW-OAHLLOKOSA-N 1 1 327.399 3.867 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cc(OC)ccc1OC ZINC000791565916 1134575017 /nfs/dbraw/zinc/57/50/17/1134575017.db2.gz KSNBMRCBNSDIBW-FQEVSTJZSA-N 1 1 341.451 3.816 20 30 EHEDMO C#C[C@H]([NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)[C@H]1CCCO1 ZINC000775341657 1134653679 /nfs/dbraw/zinc/65/36/79/1134653679.db2.gz MSQCRIABEAASSD-GOEBONIOSA-N 1 1 338.432 3.827 20 30 EHEDMO CC(C)[N@@H+](CCN(C)C(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000792213539 1134672280 /nfs/dbraw/zinc/67/22/80/1134672280.db2.gz YELQFYLMIQULHG-UHFFFAOYSA-N 1 1 331.460 3.636 20 30 EHEDMO C#CC[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)[C@@H]1CCc2ccccc21 ZINC001190529905 1134713166 /nfs/dbraw/zinc/71/31/66/1134713166.db2.gz XWVUCJRULHCJMO-FXAWDEMLSA-N 1 1 326.484 3.502 20 30 EHEDMO C#CC[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)[C@@H]1CCc2ccccc21 ZINC001190529905 1134713169 /nfs/dbraw/zinc/71/31/69/1134713169.db2.gz XWVUCJRULHCJMO-FXAWDEMLSA-N 1 1 326.484 3.502 20 30 EHEDMO C#CC[N@H+](CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCc2ccccc21 ZINC001190529225 1134713340 /nfs/dbraw/zinc/71/33/40/1134713340.db2.gz PMGVAKDLANLYCR-IBGZPJMESA-N 1 1 342.483 3.866 20 30 EHEDMO N#Cc1ccnc(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC001190840272 1134757396 /nfs/dbraw/zinc/75/73/96/1134757396.db2.gz YCZVSAJLMNNLBK-LJQANCHMSA-N 1 1 341.842 3.552 20 30 EHEDMO C[C@@H]1C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CCC[C@]1(C)O ZINC001170379137 1134767257 /nfs/dbraw/zinc/76/72/57/1134767257.db2.gz RFSBFZUTHGCQJP-PPXMBRMGSA-N 1 1 326.484 3.873 20 30 EHEDMO CCCCCCCNC(=O)N1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001191096850 1134801970 /nfs/dbraw/zinc/80/19/70/1134801970.db2.gz BLNNTFUNFQVCKN-PMACEKPBSA-N 1 1 343.515 3.873 20 30 EHEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000793231014 1134878601 /nfs/dbraw/zinc/87/86/01/1134878601.db2.gz JKWFESBPMVDUIW-BBRMVZONSA-N 1 1 325.378 3.809 20 30 EHEDMO N#Cc1c(=O)n(C[N@@H+]2CCCC[C@H]2c2ccccc2)cc2c1CCCC2 ZINC000793512508 1134943581 /nfs/dbraw/zinc/94/35/81/1134943581.db2.gz SGWQMIWJRCUFSM-NRFANRHFSA-N 1 1 347.462 3.783 20 30 EHEDMO N#Cc1c(=O)n(C[N@H+]2CCCC[C@H]2c2ccccc2)cc2c1CCCC2 ZINC000793512508 1134943589 /nfs/dbraw/zinc/94/35/89/1134943589.db2.gz SGWQMIWJRCUFSM-NRFANRHFSA-N 1 1 347.462 3.783 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC001192489808 1135028366 /nfs/dbraw/zinc/02/83/66/1135028366.db2.gz ISHLHTPOFZEWMA-OAQYLSRUSA-N 1 1 349.478 3.976 20 30 EHEDMO C#C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1F ZINC000804416187 1135070312 /nfs/dbraw/zinc/07/03/12/1135070312.db2.gz LMAAWFDGLNOKJE-ZWKOTPCHSA-N 1 1 344.817 3.573 20 30 EHEDMO C[C@@H](C1CCCCC1)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001193807767 1135187596 /nfs/dbraw/zinc/18/75/96/1135187596.db2.gz MYYXKADCBJWWIE-JXFKEZNVSA-N 1 1 339.483 3.954 20 30 EHEDMO C=CC[C@H]1[N@H+](Cc2ccc(OCC(F)(F)F)nn2)CCCC1(C)C ZINC001193920735 1135204639 /nfs/dbraw/zinc/20/46/39/1135204639.db2.gz PSQDGWBTSDDDOI-CQSZACIVSA-N 1 1 343.393 3.984 20 30 EHEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001194101136 1135233245 /nfs/dbraw/zinc/23/32/45/1135233245.db2.gz HYRQRGBGGBHUOK-LJQANCHMSA-N 1 1 328.843 3.901 20 30 EHEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001194164244 1135235620 /nfs/dbraw/zinc/23/56/20/1135235620.db2.gz KCYRKMSWAGBFPQ-GOSISDBHSA-N 1 1 333.353 3.874 20 30 EHEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC001194682843 1135305232 /nfs/dbraw/zinc/30/52/32/1135305232.db2.gz HDUIMCZGNUKRBS-GQIGUUNPSA-N 1 1 333.435 3.763 20 30 EHEDMO C=C(Br)C[N@@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000805765416 1135330121 /nfs/dbraw/zinc/33/01/21/1135330121.db2.gz LKYYKYOUVKEELD-CYBMUJFWSA-N 1 1 347.297 3.664 20 30 EHEDMO C=C(Br)C[N@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000805765416 1135330115 /nfs/dbraw/zinc/33/01/15/1135330115.db2.gz LKYYKYOUVKEELD-CYBMUJFWSA-N 1 1 347.297 3.664 20 30 EHEDMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC000805764019 1135330747 /nfs/dbraw/zinc/33/07/47/1135330747.db2.gz SUTOVTVNJNQXKY-GOSISDBHSA-N 1 1 343.471 3.828 20 30 EHEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001195022326 1135354311 /nfs/dbraw/zinc/35/43/11/1135354311.db2.gz LWUVBOSALJSOKF-UXHICEINSA-N 1 1 333.435 3.765 20 30 EHEDMO CCOc1ccc(O)c(/C=N\[C@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000775630987 1135357791 /nfs/dbraw/zinc/35/77/91/1135357791.db2.gz OPMXKWBTSYRADP-RDPIHGLISA-N 1 1 326.440 3.730 20 30 EHEDMO Cc1cc(C#N)cc(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001195401879 1135418741 /nfs/dbraw/zinc/41/87/41/1135418741.db2.gz JVAMQHQKCAHKHR-MSOLQXFVSA-N 1 1 347.462 3.602 20 30 EHEDMO Cc1cc(C#N)cc(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001195401879 1135418746 /nfs/dbraw/zinc/41/87/46/1135418746.db2.gz JVAMQHQKCAHKHR-MSOLQXFVSA-N 1 1 347.462 3.602 20 30 EHEDMO CC[N@@H+](CCCNC(=O)[C@@H](CC#N)c1ccccc1)C1CCCCC1 ZINC001130588313 1135424552 /nfs/dbraw/zinc/42/45/52/1135424552.db2.gz AUVGKQLFYIWACR-FQEVSTJZSA-N 1 1 341.499 3.845 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2C2CCC2)cc1Cl ZINC001195825749 1135478128 /nfs/dbraw/zinc/47/81/28/1135478128.db2.gz PWRHTSXMHINXKZ-KRWDZBQOSA-N 1 1 331.847 3.805 20 30 EHEDMO C=CC[C@H]1CCC[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC001195945760 1135490078 /nfs/dbraw/zinc/49/00/78/1135490078.db2.gz CORLMFBDDKTQED-KRWDZBQOSA-N 1 1 338.451 3.998 20 30 EHEDMO C=CC[C@@H]1CC[N@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC001196441785 1135557770 /nfs/dbraw/zinc/55/77/70/1135557770.db2.gz MVQSASLGEQAMDK-OAHLLOKOSA-N 1 1 325.431 3.898 20 30 EHEDMO O[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001196773396 1135613768 /nfs/dbraw/zinc/61/37/68/1135613768.db2.gz PDPHYHBLCQUNHE-PMACEKPBSA-N 1 1 325.839 3.890 20 30 EHEDMO O[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC001196773396 1135613770 /nfs/dbraw/zinc/61/37/70/1135613770.db2.gz PDPHYHBLCQUNHE-PMACEKPBSA-N 1 1 325.839 3.890 20 30 EHEDMO Fc1cccc(O[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)c1 ZINC001197004508 1135639245 /nfs/dbraw/zinc/63/92/45/1135639245.db2.gz UOOLKRYYHBZRPE-IBGZPJMESA-N 1 1 329.802 3.984 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC001198076862 1135769395 /nfs/dbraw/zinc/76/93/95/1135769395.db2.gz XMTKZOUJCJWUGG-AWEZNQCLSA-N 1 1 343.418 3.642 20 30 EHEDMO C[N@H+](CC#Cc1cccc(Cl)c1)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001198156817 1135780783 /nfs/dbraw/zinc/78/07/83/1135780783.db2.gz KPXPMUARLRAXMI-QGZVFWFLSA-N 1 1 348.874 3.633 20 30 EHEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001198156817 1135780787 /nfs/dbraw/zinc/78/07/87/1135780787.db2.gz KPXPMUARLRAXMI-QGZVFWFLSA-N 1 1 348.874 3.633 20 30 EHEDMO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(N(C)C)cc1 ZINC000775831696 1135788933 /nfs/dbraw/zinc/78/89/33/1135788933.db2.gz TYLVCEFYOLPCMH-AWEZNQCLSA-N 1 1 347.422 3.525 20 30 EHEDMO N#Cc1c(N)sc2c1CC[N@H+]([C@@H]1CCc3cc(Cl)ccc31)C2 ZINC001198414527 1135812316 /nfs/dbraw/zinc/81/23/16/1135812316.db2.gz VMBRDNJVWWYDLH-OAHLLOKOSA-N 1 1 329.856 3.901 20 30 EHEDMO N#Cc1c(N)sc2c1CC[N@@H+]([C@@H]1CCc3cc(Cl)ccc31)C2 ZINC001198414527 1135812323 /nfs/dbraw/zinc/81/23/23/1135812323.db2.gz VMBRDNJVWWYDLH-OAHLLOKOSA-N 1 1 329.856 3.901 20 30 EHEDMO C=CCCC[N@H+](CC)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC001198458877 1135817024 /nfs/dbraw/zinc/81/70/24/1135817024.db2.gz YJRLHAHXEXWLHC-UHFFFAOYSA-N 1 1 330.501 3.940 20 30 EHEDMO C#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)cc1 ZINC000809582403 1135853310 /nfs/dbraw/zinc/85/33/10/1135853310.db2.gz XNUNAKSYGBABIL-OALUTQOASA-N 1 1 342.483 3.793 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC000809549001 1135855479 /nfs/dbraw/zinc/85/54/79/1135855479.db2.gz DNNHBFNOBBPDTL-LJQANCHMSA-N 1 1 342.483 3.747 20 30 EHEDMO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000809691994 1135867361 /nfs/dbraw/zinc/86/73/61/1135867361.db2.gz VOPUSVOOGYATKM-OAHLLOKOSA-N 1 1 335.473 3.501 20 30 EHEDMO CCCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000809691994 1135867365 /nfs/dbraw/zinc/86/73/65/1135867365.db2.gz VOPUSVOOGYATKM-OAHLLOKOSA-N 1 1 335.473 3.501 20 30 EHEDMO N#Cc1ccc(Br)c(C[NH2+]Cc2ccc3c(c2)COC3)c1 ZINC001201097324 1135982955 /nfs/dbraw/zinc/98/29/55/1135982955.db2.gz QBDUSQJLPXAENL-UHFFFAOYSA-N 1 1 343.224 3.641 20 30 EHEDMO Fc1cc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)ccc1Cl ZINC000747636238 1136006865 /nfs/dbraw/zinc/00/68/65/1136006865.db2.gz WPHZWZFQFKJPPY-UHFFFAOYSA-N 1 1 333.794 3.762 20 30 EHEDMO N#Cc1cccc(O)c1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201477642 1136032906 /nfs/dbraw/zinc/03/29/06/1136032906.db2.gz JXVSSQUKSWZWIL-MOPGFXCFSA-N 1 1 331.419 3.997 20 30 EHEDMO CCCCCCC[N@@H+]1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001201762754 1136061119 /nfs/dbraw/zinc/06/11/19/1136061119.db2.gz SUVQRWCINVEGKS-SFHVURJKSA-N 1 1 342.487 3.759 20 30 EHEDMO CCCCCCCC[N@@H+]1CCc2c(nnn2CC2CC2)[C@H]1COC ZINC001201804959 1136064246 /nfs/dbraw/zinc/06/42/46/1136064246.db2.gz WOASTNXJXFVHQM-GOSISDBHSA-N 1 1 334.508 3.594 20 30 EHEDMO CCCCCCCC[N@H+]1CCc2c(nnn2CC2CC2)[C@H]1COC ZINC001201804959 1136064250 /nfs/dbraw/zinc/06/42/50/1136064250.db2.gz WOASTNXJXFVHQM-GOSISDBHSA-N 1 1 334.508 3.594 20 30 EHEDMO CCCCCCC[N@H+]1CCc2onc(COc3ccccn3)c2C1 ZINC001201777010 1136065409 /nfs/dbraw/zinc/06/54/09/1136065409.db2.gz RVBOYQVVGJKAKA-UHFFFAOYSA-N 1 1 329.444 3.977 20 30 EHEDMO CCCCCCC[N@H+]1CCC[C@]2(C[C@H](N(C)c3ncccn3)CO2)C1 ZINC001201776774 1136065433 /nfs/dbraw/zinc/06/54/33/1136065433.db2.gz KUWARUFXMUHUNV-ICSRJNTNSA-N 1 1 346.519 3.507 20 30 EHEDMO CCCCCCC[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001201777307 1136065855 /nfs/dbraw/zinc/06/58/55/1136065855.db2.gz VQWRCFQCWDJKDA-UHFFFAOYSA-N 1 1 332.536 3.821 20 30 EHEDMO CCCCCCC[NH+]1CCC2(CCCN2Cc2cnn(C)c2)CC1 ZINC001201777307 1136065857 /nfs/dbraw/zinc/06/58/57/1136065857.db2.gz VQWRCFQCWDJKDA-UHFFFAOYSA-N 1 1 332.536 3.821 20 30 EHEDMO CCCCCCCN1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001201777307 1136065861 /nfs/dbraw/zinc/06/58/61/1136065861.db2.gz VQWRCFQCWDJKDA-UHFFFAOYSA-N 1 1 332.536 3.821 20 30 EHEDMO CCCCCCCN1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001201777307 1136065864 /nfs/dbraw/zinc/06/58/64/1136065864.db2.gz VQWRCFQCWDJKDA-UHFFFAOYSA-N 1 1 332.536 3.821 20 30 EHEDMO CCCCCCCCCCS(=O)(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001201837901 1136068992 /nfs/dbraw/zinc/06/89/92/1136068992.db2.gz BCDMCYJPHWSCDB-SFHVURJKSA-N 1 1 346.581 3.778 20 30 EHEDMO C#CCCOc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000811519448 1136097983 /nfs/dbraw/zinc/09/79/83/1136097983.db2.gz XOLDEIDHAWLDPK-UXHICEINSA-N 1 1 325.452 3.622 20 30 EHEDMO CC(C)OCCON=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000812239352 1136187934 /nfs/dbraw/zinc/18/79/34/1136187934.db2.gz SHPVFOQNQQWRPU-OALUTQOASA-N 1 1 330.472 3.716 20 30 EHEDMO COc1cccc(O)c1/C=N\C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000812395537 1136203523 /nfs/dbraw/zinc/20/35/23/1136203523.db2.gz CGUWEDVAONYSRL-VBNMEBLOSA-N 1 1 332.831 3.776 20 30 EHEDMO C[C@@H](C1CC1)[N@@H+](CC(=O)Nc1ccccc1SCC#N)C1CC1 ZINC000173200635 1136371979 /nfs/dbraw/zinc/37/19/79/1136371979.db2.gz JBDJYGGYSAUWIK-ZDUSSCGKSA-N 1 1 329.469 3.504 20 30 EHEDMO CCc1oc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1C(=O)OC ZINC000338937545 1136378209 /nfs/dbraw/zinc/37/82/09/1136378209.db2.gz YTYOHDOJZYABJM-QGZVFWFLSA-N 1 1 326.396 3.763 20 30 EHEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000851803643 1136409081 /nfs/dbraw/zinc/40/90/81/1136409081.db2.gz UQVNFNKJBDYJDC-MSOLQXFVSA-N 1 1 326.465 3.750 20 30 EHEDMO C#C[C@](C)(CC)[NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000852100415 1136433368 /nfs/dbraw/zinc/43/33/68/1136433368.db2.gz HQNNGXNKURVUPU-LJQANCHMSA-N 1 1 337.448 3.955 20 30 EHEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(N2CCCOC2=O)cc1 ZINC000814303113 1136438168 /nfs/dbraw/zinc/43/81/68/1136438168.db2.gz QLKZXJIQBOPETC-HNNXBMFYSA-N 1 1 335.407 3.756 20 30 EHEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170742139 1136441510 /nfs/dbraw/zinc/44/15/10/1136441510.db2.gz YTLQAUBJOAYPJF-AXVVYFOYSA-N 1 1 332.488 3.532 20 30 EHEDMO Cc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c(-c2ccnn2C)c1 ZINC000338943492 1136446094 /nfs/dbraw/zinc/44/60/94/1136446094.db2.gz AIANSCSMYOZKEW-UHFFFAOYSA-N 1 1 330.435 3.899 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)[C@@H]2CC ZINC001170752555 1136477591 /nfs/dbraw/zinc/47/75/91/1136477591.db2.gz KDNICCYBLYNOLS-YKGACUOXSA-N 1 1 330.516 3.843 20 30 EHEDMO CCCCCCCC[C@H](C)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000852878500 1136491723 /nfs/dbraw/zinc/49/17/23/1136491723.db2.gz PIHDEFZNBOATOH-HKUYNNGSSA-N 1 1 331.504 3.941 20 30 EHEDMO C[C@H]1C(N=Nc2cncc(Cl)n2)CCC[N@H+]1Cc1ccccc1 ZINC000814797975 1136506359 /nfs/dbraw/zinc/50/63/59/1136506359.db2.gz UCWKWDCEXLPGFS-ZDUSSCGKSA-N 1 1 329.835 3.582 20 30 EHEDMO CC(=[NH+]Nc1ccc(C)c(F)c1)c1cccc(N2CCOCC2)c1 ZINC000853438487 1136532378 /nfs/dbraw/zinc/53/23/78/1136532378.db2.gz DCHKKYFHPRNUJD-UHFFFAOYSA-N 1 1 327.403 3.807 20 30 EHEDMO C#Cc1cccnc1N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000853449328 1136533340 /nfs/dbraw/zinc/53/33/40/1136533340.db2.gz QEJXFOSPXALDCP-RTWAWAEBSA-N 1 1 331.463 3.554 20 30 EHEDMO C=CCC(F)(F)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000815025862 1136542057 /nfs/dbraw/zinc/54/20/57/1136542057.db2.gz MHWGECBYWJYUJK-OAHLLOKOSA-N 1 1 336.426 3.746 20 30 EHEDMO C[C@@]1(COC(=O)CC2(C#N)CC2)CCCC[N@H+]1Cc1ccccc1 ZINC000816012847 1136659523 /nfs/dbraw/zinc/65/95/23/1136659523.db2.gz XZBQYVSTUQLKSO-IBGZPJMESA-N 1 1 326.440 3.668 20 30 EHEDMO C=CCC(F)(F)C(=O)OC[C@]1(F)CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000816018557 1136663925 /nfs/dbraw/zinc/66/39/25/1136663925.db2.gz IOLYITBYUQJXAG-PBHICJAKSA-N 1 1 341.373 3.916 20 30 EHEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000173304240 1136725150 /nfs/dbraw/zinc/72/51/50/1136725150.db2.gz LSMQEKVZCHGJNR-INIZCTEOSA-N 1 1 329.469 3.505 20 30 EHEDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C#N)o2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817418353 1136806810 /nfs/dbraw/zinc/80/68/10/1136806810.db2.gz MZIJJNMNCVFTAF-ILXRZTDVSA-N 1 1 347.459 3.522 20 30 EHEDMO C[C@@H](C#N)CNN=C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000857212159 1136854128 /nfs/dbraw/zinc/85/41/28/1136854128.db2.gz UZBYIHFVSLGMGQ-FXAWDEMLSA-N 1 1 326.488 3.660 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1F ZINC000858019027 1136932407 /nfs/dbraw/zinc/93/24/07/1136932407.db2.gz FCAIYTJGUWJUDZ-SFHVURJKSA-N 1 1 337.398 3.623 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1F ZINC000858019027 1136932408 /nfs/dbraw/zinc/93/24/08/1136932408.db2.gz FCAIYTJGUWJUDZ-SFHVURJKSA-N 1 1 337.398 3.623 20 30 EHEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000859252707 1137009846 /nfs/dbraw/zinc/00/98/46/1137009846.db2.gz RAWFYOZJAMZMDV-WOJBJXKFSA-N 1 1 336.435 3.525 20 30 EHEDMO C=C[C@@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001136404979 1137015773 /nfs/dbraw/zinc/01/57/73/1137015773.db2.gz JVFOODVESKIIJR-ZIFCJYIRSA-N 1 1 328.500 3.829 20 30 EHEDMO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@H]1C[N@@H+](CCC(C)(C)C#N)C[C@@H]12 ZINC000860038268 1137041583 /nfs/dbraw/zinc/04/15/83/1137041583.db2.gz QSKZITFYQRLXIM-YVSFHVDLSA-N 1 1 347.503 3.504 20 30 EHEDMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000805804502 1137078206 /nfs/dbraw/zinc/07/82/06/1137078206.db2.gz RZOUNGKQUYMAJX-LRDDRELGSA-N 1 1 349.862 3.699 20 30 EHEDMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000805804502 1137078207 /nfs/dbraw/zinc/07/82/07/1137078207.db2.gz RZOUNGKQUYMAJX-LRDDRELGSA-N 1 1 349.862 3.699 20 30 EHEDMO CC(C)(c1noc([C@@H]([NH3+])CCCC#N)n1)c1ccc(Cl)cc1F ZINC000823094372 1137085121 /nfs/dbraw/zinc/08/51/21/1137085121.db2.gz QAXJQOKBERLHNI-ZDUSSCGKSA-N 1 1 336.798 3.882 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1cnc(-c2ccccc2)n1 ZINC000117862319 1137085147 /nfs/dbraw/zinc/08/51/47/1137085147.db2.gz GBCIQKQDVOBDLV-UHFFFAOYSA-N 1 1 331.423 3.686 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cn1cnc(-c2ccccc2)n1 ZINC000117862319 1137085148 /nfs/dbraw/zinc/08/51/48/1137085148.db2.gz GBCIQKQDVOBDLV-UHFFFAOYSA-N 1 1 331.423 3.686 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000266034698 1137134646 /nfs/dbraw/zinc/13/46/46/1137134646.db2.gz UBHHDNAZCBKENY-QRWLVFNGSA-N 1 1 340.398 3.690 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000266034698 1137134648 /nfs/dbraw/zinc/13/46/48/1137134648.db2.gz UBHHDNAZCBKENY-QRWLVFNGSA-N 1 1 340.398 3.690 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000862444575 1137145004 /nfs/dbraw/zinc/14/50/04/1137145004.db2.gz CJPKIEMCTMQBMM-ZDUSSCGKSA-N 1 1 327.409 3.564 20 30 EHEDMO C[C@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@H+]1CCOCCC#N ZINC000339044904 1137160685 /nfs/dbraw/zinc/16/06/85/1137160685.db2.gz YWNUBHZEUHJZSA-AVRDEDQJSA-N 1 1 334.463 3.995 20 30 EHEDMO C[C@@H]1C[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@H](C)C1(F)F ZINC000863274839 1137179077 /nfs/dbraw/zinc/17/90/77/1137179077.db2.gz MXXVXDSVNUJNKB-OKILXGFUSA-N 1 1 330.382 3.602 20 30 EHEDMO C[C@@H]1C[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@H](C)C1(F)F ZINC000863274839 1137179079 /nfs/dbraw/zinc/17/90/79/1137179079.db2.gz MXXVXDSVNUJNKB-OKILXGFUSA-N 1 1 330.382 3.602 20 30 EHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1cc(F)cc(F)c1C)C2 ZINC001143761552 1137196217 /nfs/dbraw/zinc/19/62/17/1137196217.db2.gz MJCFGZNRBWTFMI-HXUWFJFHSA-N 1 1 348.437 3.806 20 30 EHEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@H]1CCc2cc(Cl)ccc21 ZINC000844371423 1137213180 /nfs/dbraw/zinc/21/31/80/1137213180.db2.gz OGKRBDGZPALYFX-OALUTQOASA-N 1 1 326.827 3.864 20 30 EHEDMO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368784 1137215919 /nfs/dbraw/zinc/21/59/19/1137215919.db2.gz GWHCQDWURVHAPM-CZUORRHYSA-N 1 1 327.428 3.570 20 30 EHEDMO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368784 1137215920 /nfs/dbraw/zinc/21/59/20/1137215920.db2.gz GWHCQDWURVHAPM-CZUORRHYSA-N 1 1 327.428 3.570 20 30 EHEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171133556 1137234341 /nfs/dbraw/zinc/23/43/41/1137234341.db2.gz NAFWKAJCMQOOFY-QZTJIDSGSA-N 1 1 348.874 3.574 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@@H](OCC4CC4)[C@H]3C2)nc1 ZINC001144160307 1137246585 /nfs/dbraw/zinc/24/65/85/1137246585.db2.gz DCWNKDHILFANOU-FDFHNCONSA-N 1 1 345.446 3.650 20 30 EHEDMO N#CC1(c2ccccc2)CC[NH+](Cc2[nH]nc3ccc(F)cc32)CC1 ZINC001144191626 1137249458 /nfs/dbraw/zinc/24/94/58/1137249458.db2.gz UIURMFYRAOJJMT-UHFFFAOYSA-N 1 1 334.398 3.759 20 30 EHEDMO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000794811942 1137264268 /nfs/dbraw/zinc/26/42/68/1137264268.db2.gz UYARTKZSUMPBHJ-CYBMUJFWSA-N 1 1 345.240 3.707 20 30 EHEDMO Cc1nc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)sc1C ZINC001144378231 1137279269 /nfs/dbraw/zinc/27/92/69/1137279269.db2.gz AASAKPOEBJHHRM-UHFFFAOYSA-N 1 1 327.453 3.675 20 30 EHEDMO Cc1nc(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)sc1C ZINC001144378277 1137279468 /nfs/dbraw/zinc/27/94/68/1137279468.db2.gz CKZQIDZLFBUZOM-INIZCTEOSA-N 1 1 327.453 3.675 20 30 EHEDMO Cc1nc(C[N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)sc1C ZINC001144378277 1137279470 /nfs/dbraw/zinc/27/94/70/1137279470.db2.gz CKZQIDZLFBUZOM-INIZCTEOSA-N 1 1 327.453 3.675 20 30 EHEDMO C#Cc1ccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001144578370 1137310853 /nfs/dbraw/zinc/31/08/53/1137310853.db2.gz BUXNDXUDAQNNLD-GOTSBHOMSA-N 1 1 330.475 3.622 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001144568356 1137311345 /nfs/dbraw/zinc/31/13/45/1137311345.db2.gz RUSSGLUMSNQAPG-LPHOPBHVSA-N 1 1 342.483 3.651 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)CC[C@H]2C)cc1 ZINC001144568345 1137311517 /nfs/dbraw/zinc/31/15/17/1137311517.db2.gz RJPYOPXZTSJDQB-VQIMIIECSA-N 1 1 342.483 3.793 20 30 EHEDMO CCSc1cccc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC000846006150 1137325343 /nfs/dbraw/zinc/32/53/43/1137325343.db2.gz GQKPLYCBNFEVOU-LJQANCHMSA-N 1 1 326.465 3.836 20 30 EHEDMO C[C@@H](CCc1cccc(F)c1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006912 1137325421 /nfs/dbraw/zinc/32/54/21/1137325421.db2.gz LHZQWRBPKPXDAZ-MGPUTAFESA-N 1 1 326.415 3.684 20 30 EHEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cccc3cc[nH]c31)C2 ZINC001144712459 1137333047 /nfs/dbraw/zinc/33/30/47/1137333047.db2.gz 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N#Cc1ccc(N2CC[C@H]([N@H+]3CCCC4(CCCC4)CC3)C2=O)cc1 ZINC001171915146 1137518079 /nfs/dbraw/zinc/51/80/79/1137518079.db2.gz BRPIOGLBXBCROV-IBGZPJMESA-N 1 1 337.467 3.710 20 30 EHEDMO C=CC[C@@](C)(N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(=O)OC ZINC001171978028 1137525639 /nfs/dbraw/zinc/52/56/39/1137525639.db2.gz ILBAZTLADUZTCF-WIYYLYMNSA-N 1 1 344.499 3.527 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC3(CCC3)C2)cc1 ZINC000123607901 1137540546 /nfs/dbraw/zinc/54/05/46/1137540546.db2.gz MROINXAPIRXNAJ-QGZVFWFLSA-N 1 1 325.456 3.506 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001172311077 1137546396 /nfs/dbraw/zinc/54/63/96/1137546396.db2.gz OEYTYFQVMITMLG-QAPCUYQASA-N 1 1 328.456 3.543 20 30 EHEDMO COC(C[N@@H+](Cc1ccccc1)[C@@H](C)Cc1ccc(C#N)cc1)OC ZINC001172316777 1137546703 /nfs/dbraw/zinc/54/67/03/1137546703.db2.gz XIGJUDUOXBOVFF-KRWDZBQOSA-N 1 1 338.451 3.610 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001172319101 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1 335.492 3.649 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC000877659322 1137684610 /nfs/dbraw/zinc/68/46/10/1137684610.db2.gz OSNUMAHLHGRHCI-ZYSHUDEJSA-N 1 1 335.492 3.505 20 30 EHEDMO N#Cc1csc(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)c1 ZINC000877735864 1137687247 /nfs/dbraw/zinc/68/72/47/1137687247.db2.gz KARJWUQWRMOIGR-UHFFFAOYSA-N 1 1 328.441 3.650 20 30 EHEDMO COc1ccc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)cc1OCCCC#N ZINC000877738134 1137687376 /nfs/dbraw/zinc/68/73/76/1137687376.db2.gz JUWQKERYBOZBGQ-DLBZAZTESA-N 1 1 346.496 3.563 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)c(C(F)(F)F)c1 ZINC000877741222 1137687593 /nfs/dbraw/zinc/68/75/93/1137687593.db2.gz XZENYAZLCUZWLI-UONOGXRCSA-N 1 1 326.387 3.762 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC2(CCOCC2)CO1 ZINC000877962053 1137697248 /nfs/dbraw/zinc/69/72/48/1137697248.db2.gz WVUFSFPKPILYMK-HXUWFJFHSA-N 1 1 342.483 3.746 20 30 EHEDMO CCCO[C@@H]1CCC[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878088044 1137701866 /nfs/dbraw/zinc/70/18/66/1137701866.db2.gz FTEVADJAHPYFFW-NHCUHLMSSA-N 1 1 342.483 3.708 20 30 EHEDMO CCC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)C[C@H]1CCCCO1 ZINC000878238830 1137708182 /nfs/dbraw/zinc/70/81/82/1137708182.db2.gz FKILOFVZDKBESV-RTWAWAEBSA-N 1 1 342.483 3.708 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCc2cccc(C)c2C1)c1ccccc1 ZINC000878511285 1137718316 /nfs/dbraw/zinc/71/83/16/1137718316.db2.gz CARSDZPRUUZPOM-QFIPXVFZSA-N 1 1 332.447 3.794 20 30 EHEDMO CC1(C)C[C@H](C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)C(C)(C)O1 ZINC000878887777 1137731061 /nfs/dbraw/zinc/73/10/61/1137731061.db2.gz HQSNIWGPNIUACJ-UZLBHIALSA-N 1 1 327.472 3.532 20 30 EHEDMO CCc1cccc(C)c1NC(=O)C[N@H+](C)CCc1cccc(C#N)c1 ZINC000879434879 1137747705 /nfs/dbraw/zinc/74/77/05/1137747705.db2.gz OOWPSMSWFSDHKE-UHFFFAOYSA-N 1 1 335.451 3.542 20 30 EHEDMO CCc1cccc(C)c1NC(=O)C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879434879 1137747706 /nfs/dbraw/zinc/74/77/06/1137747706.db2.gz OOWPSMSWFSDHKE-UHFFFAOYSA-N 1 1 335.451 3.542 20 30 EHEDMO N#Cc1cccc(-c2nnc(C[NH2+][C@@H]3CC=CC[C@H]3C(F)(F)F)o2)c1 ZINC000879669343 1137754433 /nfs/dbraw/zinc/75/44/33/1137754433.db2.gz PMKRPTSPDGYFEZ-ZIAGYGMSSA-N 1 1 348.328 3.595 20 30 EHEDMO Cc1cccc2c(C[N@H+]3CCC[C@@H](Oc4ccccc4C#N)C3)[nH]nc21 ZINC001137149200 1137764900 /nfs/dbraw/zinc/76/49/00/1137764900.db2.gz JRFAFDDFQGYYPV-QGZVFWFLSA-N 1 1 346.434 3.786 20 30 EHEDMO C[N@@H+](Cc1ccccc1NC(=O)c1cc(C#N)ccn1)C1CCCCC1 ZINC000282833696 1137869576 /nfs/dbraw/zinc/86/95/76/1137869576.db2.gz AOBGCHZGHJTFBD-UHFFFAOYSA-N 1 1 348.450 3.970 20 30 EHEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118395351 1137933590 /nfs/dbraw/zinc/93/35/90/1137933590.db2.gz JHOATNCNAMENAS-TXPKVOOTSA-N 1 1 327.472 3.636 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000121409535 1137957564 /nfs/dbraw/zinc/95/75/64/1137957564.db2.gz DWNMKXNGKMHDKX-INIZCTEOSA-N 1 1 327.453 3.841 20 30 EHEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCCc2nc(C)sc21 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MYWICFMJFZQMDF-CYBMUJFWSA-N 1 1 345.240 3.949 20 30 EHEDMO C#CC[C@H]1CC[N@H+]([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)C1 ZINC000886361838 1138071004 /nfs/dbraw/zinc/07/10/04/1138071004.db2.gz XIWLEYVSCNJYOE-CVEARBPZSA-N 1 1 345.512 3.543 20 30 EHEDMO N#Cc1ccc(F)c(CN[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000886549433 1138094626 /nfs/dbraw/zinc/09/46/26/1138094626.db2.gz IBOFKYLVRCGQDM-TYPHKJRUSA-N 1 1 349.453 3.840 20 30 EHEDMO N#Cc1ccc(-c2nnc(C[N@H+](Cc3ccccc3)C3CC3)o2)cc1 ZINC000075596582 1138128698 /nfs/dbraw/zinc/12/86/98/1138128698.db2.gz RDCMHAGNXHPKAB-UHFFFAOYSA-N 1 1 330.391 3.773 20 30 EHEDMO N#Cc1ccc(-c2nnc(C[N@@H+](Cc3ccccc3)C3CC3)o2)cc1 ZINC000075596582 1138128700 /nfs/dbraw/zinc/12/87/00/1138128700.db2.gz RDCMHAGNXHPKAB-UHFFFAOYSA-N 1 1 330.391 3.773 20 30 EHEDMO Cc1sc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2)c(C#N)c1C ZINC000078729357 1138151623 /nfs/dbraw/zinc/15/16/23/1138151623.db2.gz OKKSOELEWFGCRE-ZDUSSCGKSA-N 1 1 327.453 3.868 20 30 EHEDMO Cc1sc(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2)c(C#N)c1C ZINC000078729357 1138151624 /nfs/dbraw/zinc/15/16/24/1138151624.db2.gz OKKSOELEWFGCRE-ZDUSSCGKSA-N 1 1 327.453 3.868 20 30 EHEDMO CCc1nc2ccccc2n1C1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000093300566 1138235755 /nfs/dbraw/zinc/23/57/55/1138235755.db2.gz WGZNXORYPBPRJA-INIZCTEOSA-N 1 1 335.455 3.679 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C1CC1 ZINC000334050453 1138365651 /nfs/dbraw/zinc/36/56/51/1138365651.db2.gz RMOUYIZHUBAXMV-GFCCVEGCSA-N 1 1 331.485 3.557 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000128247362 1138384054 /nfs/dbraw/zinc/38/40/54/1138384054.db2.gz GTQISLREOSQKAY-LAUBAEHRSA-N 1 1 347.462 3.507 20 30 EHEDMO CC(=O)c1ccc(C#N)cc1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000336942349 1138431699 /nfs/dbraw/zinc/43/16/99/1138431699.db2.gz ZFBADAXOXUJJHP-KRWDZBQOSA-N 1 1 348.450 3.678 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc2ccccc2c1 ZINC000337140779 1138477443 /nfs/dbraw/zinc/47/74/43/1138477443.db2.gz RIAKIUAWUAFEAL-UHFFFAOYSA-N 1 1 331.419 3.755 20 30 EHEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)[C@H](COC)Cc1ccccc1 ZINC000337188329 1138489640 /nfs/dbraw/zinc/48/96/40/1138489640.db2.gz QHEKZFNEVSJBKK-FQEVSTJZSA-N 1 1 344.499 3.667 20 30 EHEDMO CCCC[N@@H+](C)CC1CCN(C(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000264947743 1138682932 /nfs/dbraw/zinc/68/29/32/1138682932.db2.gz XIXSXJGQBNZVSS-CMDGGOBGSA-N 1 1 339.483 3.542 20 30 EHEDMO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000151044922 1139003818 /nfs/dbraw/zinc/00/38/18/1139003818.db2.gz MEZANNVHVXIOSG-LJQANCHMSA-N 1 1 326.484 3.735 20 30 EHEDMO CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1CCC[N@@H+](C)C1 ZINC000153618669 1139144548 /nfs/dbraw/zinc/14/45/48/1139144548.db2.gz PRNYVVTUEPMJJO-SFHVURJKSA-N 1 1 349.434 3.517 20 30 EHEDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccccc1-c1ccccc1C#N)C2 ZINC000174659594 1139433878 /nfs/dbraw/zinc/43/38/78/1139433878.db2.gz IJZIEBCFPLJDLT-ZWKOTPCHSA-N 1 1 345.446 3.534 20 30 EHEDMO CC[NH+](CC)CCOc1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000176948969 1139588516 /nfs/dbraw/zinc/58/85/16/1139588516.db2.gz WKHKCFMDWXABFV-UHFFFAOYSA-N 1 1 343.496 3.630 20 30 EHEDMO Cc1noc(C2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000177263143 1139608883 /nfs/dbraw/zinc/60/88/83/1139608883.db2.gz AXTHJJAQXZOEBT-UHFFFAOYSA-N 1 1 349.356 3.628 20 30 EHEDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000177995591 1139661481 /nfs/dbraw/zinc/66/14/81/1139661481.db2.gz LJTYZMCOFWWAIP-QGZVFWFLSA-N 1 1 334.341 3.742 20 30 EHEDMO CC[C@@H](CC#N)[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000184093964 1140078902 /nfs/dbraw/zinc/07/89/02/1140078902.db2.gz KCVBEPLCONLJGO-INIZCTEOSA-N 1 1 330.863 3.984 20 30 EHEDMO CCOc1cc(C[NH2+][C@H](CC)CC#N)ccc1OCC(F)(F)F ZINC000184095097 1140079042 /nfs/dbraw/zinc/07/90/42/1140079042.db2.gz KSNWYRUBQLMDPM-CYBMUJFWSA-N 1 1 330.350 3.808 20 30 EHEDMO C=C(C)CN1CCC([NH2+]Cc2sccc2Br)CC1 ZINC000185033578 1140132660 /nfs/dbraw/zinc/13/26/60/1140132660.db2.gz FXKDTEVHMBJUIC-UHFFFAOYSA-N 1 1 329.307 3.641 20 30 EHEDMO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1cc(C#N)n(C)c1 ZINC000190771292 1140417761 /nfs/dbraw/zinc/41/77/61/1140417761.db2.gz ROQAAIIPULCYFX-KRWDZBQOSA-N 1 1 336.483 3.561 20 30 EHEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCc1cc(C#N)n(C)c1 ZINC000190771292 1140417765 /nfs/dbraw/zinc/41/77/65/1140417765.db2.gz ROQAAIIPULCYFX-KRWDZBQOSA-N 1 1 336.483 3.561 20 30 EHEDMO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC)c1ccc(Cl)cc1 ZINC000193666517 1140582327 /nfs/dbraw/zinc/58/23/27/1140582327.db2.gz WDOSCXGTWSSHLT-QGZVFWFLSA-N 1 1 330.815 3.698 20 30 EHEDMO C[N@@H+](Cc1ccccc1)C1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000717483437 1140666258 /nfs/dbraw/zinc/66/62/58/1140666258.db2.gz GCTSVGYRYSSTFZ-UHFFFAOYSA-N 1 1 337.442 3.794 20 30 EHEDMO C[C@H]1C[C@H](NC(=O)c2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000270339006 1141208732 /nfs/dbraw/zinc/20/87/32/1141208732.db2.gz DLWVOCQOOYSWAK-LAUBAEHRSA-N 1 1 347.462 3.536 20 30 EHEDMO Cc1cc([C@@H]2CCC[N@H+]2CCOCCC#N)ccc1Br ZINC000339150511 1141510929 /nfs/dbraw/zinc/51/09/29/1141510929.db2.gz TYAKUDZNYDEMSX-INIZCTEOSA-N 1 1 337.261 3.825 20 30 EHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](O)Cc1ccc(F)cc1 ZINC000339194450 1141524242 /nfs/dbraw/zinc/52/42/42/1141524242.db2.gz VBMBBVLPUGGFOH-HXUWFJFHSA-N 1 1 345.462 3.585 20 30 EHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(OC)c(OCC)c1 ZINC000348640001 1141560677 /nfs/dbraw/zinc/56/06/77/1141560677.db2.gz GBKHHBQKSBCBME-UHFFFAOYSA-N 1 1 345.439 3.758 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(OC)c(OCC)c1 ZINC000348640001 1141560681 /nfs/dbraw/zinc/56/06/81/1141560681.db2.gz GBKHHBQKSBCBME-UHFFFAOYSA-N 1 1 345.439 3.758 20 30 EHEDMO C=CC[N@H+](Cc1cc(-c2nn[nH]n2)ccc1F)CC1CCCCC1 ZINC000735418979 598755952 /nfs/dbraw/zinc/75/59/52/598755952.db2.gz NFXYECLIANLPPI-UHFFFAOYSA-N 1 1 329.423 3.574 20 30 EHEDMO CC[N@@H+](Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C[C@@H](C)C#N ZINC000736554708 598760628 /nfs/dbraw/zinc/76/06/28/598760628.db2.gz BGPGDOJCDTYABQ-HNNXBMFYSA-N 1 1 346.438 3.515 20 30 EHEDMO CC[N@H+](Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C[C@@H](C)C#N ZINC000736554708 598760630 /nfs/dbraw/zinc/76/06/30/598760630.db2.gz BGPGDOJCDTYABQ-HNNXBMFYSA-N 1 1 346.438 3.515 20 30 EHEDMO C=CC[C@H]1[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)CCCC1(C)C ZINC001573329530 947421871 /nfs/dbraw/zinc/42/18/71/947421871.db2.gz KNZMTNLERMFTOE-MRXNPFEDSA-N 1 1 329.423 3.573 20 30 EHEDMO C=C(C)[C@H](CC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)OCC ZINC000339437570 1014458361 /nfs/dbraw/zinc/45/83/61/1014458361.db2.gz MZDYACQFBWABCE-BEFAXECRSA-N 1 1 341.455 3.729 20 30 EHEDMO C=C(C)[C@@H](CC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)OCC ZINC000339437575 1014458808 /nfs/dbraw/zinc/45/88/08/1014458808.db2.gz MZDYACQFBWABCE-HNAYVOBHSA-N 1 1 341.455 3.729 20 30 EHEDMO CC(C)CC[N@H+](CCC#N)C[C@H](O)COc1cccc2ccccc21 ZINC000484920768 1032098250 /nfs/dbraw/zinc/09/82/50/1032098250.db2.gz GQKMMIWPDJJGBM-IBGZPJMESA-N 1 1 340.467 3.841 20 30 EHEDMO CC(C)CC[N@@H+](CCC#N)C[C@H](O)COc1cccc2ccccc21 ZINC000484920768 1032098263 /nfs/dbraw/zinc/09/82/63/1032098263.db2.gz GQKMMIWPDJJGBM-IBGZPJMESA-N 1 1 340.467 3.841 20 30 EHEDMO C=CC[N@@H+](Cc1ccc2c(c1)CCC(=O)N2C)Cc1ccccc1F ZINC000186914345 1014825108 /nfs/dbraw/zinc/82/51/08/1014825108.db2.gz ZKHWWWMUROEXMG-UHFFFAOYSA-N 1 1 338.426 3.923 20 30 EHEDMO C=CC[N@H+](Cc1ccc2c(c1)CCC(=O)N2C)Cc1ccccc1F ZINC000186914345 1014825124 /nfs/dbraw/zinc/82/51/24/1014825124.db2.gz ZKHWWWMUROEXMG-UHFFFAOYSA-N 1 1 338.426 3.923 20 30 EHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000187162401 1014915721 /nfs/dbraw/zinc/91/57/21/1014915721.db2.gz MLSNHEFDGDGEDI-IRXDYDNUSA-N 1 1 330.815 3.893 20 30 EHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000187162401 1014915729 /nfs/dbraw/zinc/91/57/29/1014915729.db2.gz MLSNHEFDGDGEDI-IRXDYDNUSA-N 1 1 330.815 3.893 20 30 EHEDMO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000285803517 1015099282 /nfs/dbraw/zinc/09/92/82/1015099282.db2.gz UPJXCSDXCUFAKT-CJNGLKHVSA-N 1 1 325.437 3.641 20 30 EHEDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000285803517 1015099296 /nfs/dbraw/zinc/09/92/96/1015099296.db2.gz UPJXCSDXCUFAKT-CJNGLKHVSA-N 1 1 325.437 3.641 20 30 EHEDMO C=CC[C@H]1CC[N@H+](Cc2cc(Br)c(O)c(OCC)c2)C1 ZINC001206799382 1015390065 /nfs/dbraw/zinc/39/00/65/1015390065.db2.gz DXIIYBNQKPPBCB-LBPRGKRZSA-N 1 1 340.261 3.951 20 30 EHEDMO C=C[C@@](C)(CC)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000188072644 1015638359 /nfs/dbraw/zinc/63/83/59/1015638359.db2.gz WXMUYDOOKSLJSF-NRFANRHFSA-N 1 1 328.500 3.959 20 30 EHEDMO C[C@@H](c1cccc(NC2CCC(C)(C#N)CC2)c1)[NH+]1CCOCC1 ZINC000449055757 1032136056 /nfs/dbraw/zinc/13/60/56/1032136056.db2.gz WWQNMITVVZHUPA-VQSBYGRUSA-N 1 1 327.472 3.964 20 30 EHEDMO C=CCC[C@@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1)c1ccccc1 ZINC001266421979 1016444171 /nfs/dbraw/zinc/44/41/71/1016444171.db2.gz VBGJKIPOLDVGFK-LJQANCHMSA-N 1 1 332.407 3.705 20 30 EHEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1C#N ZINC000340145930 1016467706 /nfs/dbraw/zinc/46/77/06/1016467706.db2.gz BPZNFPNMCCDXTA-KRWDZBQOSA-N 1 1 336.391 3.633 20 30 EHEDMO CN(CCC[N@@H+](C)Cc1ccco1)c1c(C#N)cnc2ccccc21 ZINC000343835188 1016471228 /nfs/dbraw/zinc/47/12/28/1016471228.db2.gz FMKGIKBYCYDKPK-UHFFFAOYSA-N 1 1 334.423 3.658 20 30 EHEDMO C#CC[N@@H+](CC(=O)NCCC1CCCCC1)[C@@H]1CCc2ccccc21 ZINC001167179292 1016491916 /nfs/dbraw/zinc/49/19/16/1016491916.db2.gz YSDSTUWOJMYPIH-OAQYLSRUSA-N 1 1 338.495 3.696 20 30 EHEDMO C#CC[N@H+](CC(=O)NCCC1CCCCC1)[C@@H]1CCc2ccccc21 ZINC001167179292 1016491925 /nfs/dbraw/zinc/49/19/25/1016491925.db2.gz YSDSTUWOJMYPIH-OAQYLSRUSA-N 1 1 338.495 3.696 20 30 EHEDMO C[C@H](CO)[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000472627668 1016609061 /nfs/dbraw/zinc/60/90/61/1016609061.db2.gz GNWHYBAFIRSIQI-CQSZACIVSA-N 1 1 325.374 3.682 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(C)(C)CC1 ZINC000407994480 1016785451 /nfs/dbraw/zinc/78/54/51/1016785451.db2.gz CAQVKCORQDDQSY-LBPRGKRZSA-N 1 1 331.485 3.557 20 30 EHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000278725133 1032150690 /nfs/dbraw/zinc/15/06/90/1032150690.db2.gz VKZBDCAPNGUGPC-KCXAZCMYSA-N 1 1 335.245 3.515 20 30 EHEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000278725133 1032150692 /nfs/dbraw/zinc/15/06/92/1032150692.db2.gz VKZBDCAPNGUGPC-KCXAZCMYSA-N 1 1 335.245 3.515 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(Cn2c3ccccc3nc2C(C)C)no1 ZINC000904689631 1032182973 /nfs/dbraw/zinc/18/29/73/1032182973.db2.gz LQIYTKGCBMTMON-CQSZACIVSA-N 1 1 339.443 3.947 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cc(OC(F)F)ccc2F)no1 ZINC000904711553 1032204530 /nfs/dbraw/zinc/20/45/30/1032204530.db2.gz FBHXWKWPFBUUEA-LBPRGKRZSA-N 1 1 327.306 3.833 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc(CCn2cnc3cc(C)c(C)cc32)no1 ZINC000904736725 1032221919 /nfs/dbraw/zinc/22/19/19/1032221919.db2.gz SRIBTLYTODBXDL-HNNXBMFYSA-N 1 1 339.443 3.635 20 30 EHEDMO N#CCCC[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000459493679 1032216522 /nfs/dbraw/zinc/21/65/22/1032216522.db2.gz ZPYLRSIALDMCPD-GOSISDBHSA-N 1 1 334.379 3.991 20 30 EHEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000184092049 1032253342 /nfs/dbraw/zinc/25/33/42/1032253342.db2.gz PEGNBVYGHUUPAV-QGZVFWFLSA-N 1 1 337.423 3.729 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459583770 1032282648 /nfs/dbraw/zinc/28/26/48/1032282648.db2.gz UCTQUDVPPKHFPX-YLJYHZDGSA-N 1 1 339.483 3.612 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459583770 1032282634 /nfs/dbraw/zinc/28/26/34/1032282634.db2.gz UCTQUDVPPKHFPX-YLJYHZDGSA-N 1 1 339.483 3.612 20 30 EHEDMO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1cccc2ccccc21 ZINC000053017012 1032310462 /nfs/dbraw/zinc/31/04/62/1032310462.db2.gz KFDFZYMKPLPCQW-UHFFFAOYSA-N 1 1 335.432 3.843 20 30 EHEDMO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1cccc2ccccc21 ZINC000053017012 1032310474 /nfs/dbraw/zinc/31/04/74/1032310474.db2.gz KFDFZYMKPLPCQW-UHFFFAOYSA-N 1 1 335.432 3.843 20 30 EHEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459688850 1032416803 /nfs/dbraw/zinc/41/68/03/1032416803.db2.gz ZARAFHVVJVFZRD-UXHICEINSA-N 1 1 330.435 3.974 20 30 EHEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000449386236 1032511735 /nfs/dbraw/zinc/51/17/35/1032511735.db2.gz HURXDPINKIKHNK-GQIGUUNPSA-N 1 1 330.435 3.972 20 30 EHEDMO C=CCOc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000449420473 1032554623 /nfs/dbraw/zinc/55/46/23/1032554623.db2.gz JJJYEVGAOMLYRR-RTWAWAEBSA-N 1 1 341.426 3.551 20 30 EHEDMO C[N@H+]1CCC[C@H](CNCc2cccc(F)c2C#N)[C@@H]1c1cccs1 ZINC000602012501 1032581053 /nfs/dbraw/zinc/58/10/53/1032581053.db2.gz VQPYXGJABVSNRB-DNVCBOLYSA-N 1 1 343.471 3.932 20 30 EHEDMO C[C@H]1[C@@H](NC(=O)CC2(C#N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000597654132 1032591559 /nfs/dbraw/zinc/59/15/59/1032591559.db2.gz QMQBIRKLGBXRKM-HKUYNNGSSA-N 1 1 339.483 3.630 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3c(cccc3C(F)(F)F)C2)cc1 ZINC000528713175 1032656865 /nfs/dbraw/zinc/65/68/65/1032656865.db2.gz BQMPMJNJPYGDLC-GOSISDBHSA-N 1 1 346.352 3.669 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCc3c(cccc3C(F)(F)F)C2)cc1 ZINC000528713175 1032656872 /nfs/dbraw/zinc/65/68/72/1032656872.db2.gz BQMPMJNJPYGDLC-GOSISDBHSA-N 1 1 346.352 3.669 20 30 EHEDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000593040442 1032676020 /nfs/dbraw/zinc/67/60/20/1032676020.db2.gz INQFKLYWPRVUCG-IBGZPJMESA-N 1 1 330.447 3.890 20 30 EHEDMO Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)n2c3ccccc3nc2c1C#N ZINC000610279837 1017540798 /nfs/dbraw/zinc/54/07/98/1017540798.db2.gz LVXAIDZASNQBMR-GJZGRUSLSA-N 1 1 333.439 3.562 20 30 EHEDMO CC[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000472772328 1017854188 /nfs/dbraw/zinc/85/41/88/1017854188.db2.gz UPTPHIVGIYWVAO-OAQYLSRUSA-N 1 1 334.463 3.997 20 30 EHEDMO CC[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000472772328 1017854203 /nfs/dbraw/zinc/85/42/03/1017854203.db2.gz UPTPHIVGIYWVAO-OAQYLSRUSA-N 1 1 334.463 3.997 20 30 EHEDMO Cc1cc(Cl)c2ncc(C#N)c(NC[C@@H]3CCC[N@H+](C)C3)c2c1 ZINC000549260218 1017927455 /nfs/dbraw/zinc/92/74/55/1017927455.db2.gz FJDMDFYDCSRVTR-ZDUSSCGKSA-N 1 1 328.847 3.822 20 30 EHEDMO C[C@H](NC(=O)NCCCC[N@H+]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000610348290 1018377758 /nfs/dbraw/zinc/37/77/58/1018377758.db2.gz CUKWQNRAJKPPMJ-SJORKVTESA-N 1 1 342.487 3.573 20 30 EHEDMO CC[NH+](CC)[C@@H](CNCc1cc(C#N)cs1)c1cccc(OC)c1 ZINC000177682480 1018383610 /nfs/dbraw/zinc/38/36/10/1018383610.db2.gz DHMQGECKTPCEAU-IBGZPJMESA-N 1 1 343.496 3.801 20 30 EHEDMO N#Cc1csc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000177693103 1018523364 /nfs/dbraw/zinc/52/33/64/1018523364.db2.gz XJEKZYNSHNLUHA-CQSZACIVSA-N 1 1 331.510 3.683 20 30 EHEDMO N#Cc1csc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000177693103 1018523372 /nfs/dbraw/zinc/52/33/72/1018523372.db2.gz XJEKZYNSHNLUHA-CQSZACIVSA-N 1 1 331.510 3.683 20 30 EHEDMO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000580196649 1018772220 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EHEDMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)c1 ZINC000120633172 1019108299 /nfs/dbraw/zinc/10/82/99/1019108299.db2.gz XAKIWNKMNAZCRX-KRWDZBQOSA-N 1 1 328.437 3.974 20 30 EHEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)c1 ZINC000120633172 1019108306 /nfs/dbraw/zinc/10/83/06/1019108306.db2.gz XAKIWNKMNAZCRX-KRWDZBQOSA-N 1 1 328.437 3.974 20 30 EHEDMO CCCc1nc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cs1 ZINC000528781144 1032815381 /nfs/dbraw/zinc/81/53/81/1032815381.db2.gz FQWNCSQBDBPFSE-UHFFFAOYSA-N 1 1 341.480 3.763 20 30 EHEDMO COC(=O)c1sccc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594030892 1032815668 /nfs/dbraw/zinc/81/56/68/1032815668.db2.gz ABRKCKXHPPQMMA-UHFFFAOYSA-N 1 1 326.421 3.575 20 30 EHEDMO C=C(C)COc1cc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)ccc1OC ZINC000449568290 1032824004 /nfs/dbraw/zinc/82/40/04/1032824004.db2.gz AQOSWDYOCHURCP-HOCLYGCPSA-N 1 1 327.428 3.642 20 30 EHEDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000513260342 1019476042 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EHEDMO CCN(C(=O)c1sc2ccc(C#N)cc2c1C)[C@H]1CC[N@@H+](CC)C1 ZINC000598040328 1032873431 /nfs/dbraw/zinc/87/34/31/1032873431.db2.gz PCWGKEBGABTTKG-HNNXBMFYSA-N 1 1 341.480 3.638 20 30 EHEDMO CC1(C)CC(N=Nc2ccc(Cl)nn2)C[N@H+]1Cc1ccccc1 ZINC000761251785 1032878831 /nfs/dbraw/zinc/87/88/31/1032878831.db2.gz FYUIGJMGNSRCKB-UHFFFAOYSA-N 1 1 329.835 3.582 20 30 EHEDMO N#Cc1ccc([C@@H]2C[N@H+](Cc3ccc(C4(C#N)CC4)cc3)CCO2)cc1 ZINC000897596161 1032887470 /nfs/dbraw/zinc/88/74/70/1032887470.db2.gz MIJBNBAWFBWHAY-NRFANRHFSA-N 1 1 343.430 3.687 20 30 EHEDMO N#Cc1ccc([C@@H]2C[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)CCO2)cc1 ZINC000897596161 1032887489 /nfs/dbraw/zinc/88/74/89/1032887489.db2.gz MIJBNBAWFBWHAY-NRFANRHFSA-N 1 1 343.430 3.687 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)c1F ZINC000340829496 1020307703 /nfs/dbraw/zinc/30/77/03/1020307703.db2.gz ATGSZTWQEBPTJB-OAHLLOKOSA-N 1 1 328.412 3.996 20 30 EHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)c1F ZINC000340829496 1020307715 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EHEDMO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)Cc1cnc2c(C#N)cnn2c1 ZINC000592496794 1032946493 /nfs/dbraw/zinc/94/64/93/1032946493.db2.gz OUZMAYUDCWRQRN-UHFFFAOYSA-N 1 1 333.439 3.530 20 30 EHEDMO C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000439327550 1021361388 /nfs/dbraw/zinc/36/13/88/1021361388.db2.gz WNOUXDDKORQWLL-QFBILLFUSA-N 1 1 333.435 3.765 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000078507403 1032973511 /nfs/dbraw/zinc/97/35/11/1032973511.db2.gz PYUFERAOVCDNEZ-IBGZPJMESA-N 1 1 342.446 3.817 20 30 EHEDMO N#Cc1c(C[N@H+]2CC[C@H](COc3ccccc3)C2)cn2ccccc12 ZINC000505901701 1021371486 /nfs/dbraw/zinc/37/14/86/1021371486.db2.gz VJRDKBRFOMLHLS-KRWDZBQOSA-N 1 1 331.419 3.712 20 30 EHEDMO Cc1cc(NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)cn2cc[nH+]c12 ZINC000516429333 1021410967 /nfs/dbraw/zinc/41/09/67/1021410967.db2.gz VQJFJTWJLSPSTM-SFHVURJKSA-N 1 1 345.406 3.714 20 30 EHEDMO C[C@@H]([NH2+]Cc1nnn(-c2ccccc2)c1C1CC1)c1cccc(C#N)c1 ZINC000602566175 1032978811 /nfs/dbraw/zinc/97/88/11/1032978811.db2.gz IVJXMCHOKJWHCP-OAHLLOKOSA-N 1 1 343.434 3.867 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccccn3)CC2)c(Cl)c1 ZINC000439428876 1021442836 /nfs/dbraw/zinc/44/28/36/1021442836.db2.gz GOMVKTIBAVJMDH-UHFFFAOYSA-N 1 1 327.815 3.650 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccsc1 ZINC000126620429 1021448381 /nfs/dbraw/zinc/44/83/81/1021448381.db2.gz UAKBWJJJSNKXCM-UHFFFAOYSA-N 1 1 333.844 3.734 20 30 EHEDMO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[C@H](C)N(C)Cc1ccccc1 ZINC000602574378 1032982746 /nfs/dbraw/zinc/98/27/46/1032982746.db2.gz ZONQYPGTLCYZKA-OALUTQOASA-N 1 1 343.515 3.586 20 30 EHEDMO CSCCC[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000439485790 1021492760 /nfs/dbraw/zinc/49/27/60/1021492760.db2.gz JHZZNLVBDWEXGS-KRWDZBQOSA-N 1 1 347.528 3.624 20 30 EHEDMO C[N@@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)Cc1cccc(C#N)c1 ZINC000127290537 1021724449 /nfs/dbraw/zinc/72/44/49/1021724449.db2.gz VPJPTHCPOHAEOB-NRFANRHFSA-N 1 1 336.435 3.748 20 30 EHEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000134636478 1021813606 /nfs/dbraw/zinc/81/36/06/1021813606.db2.gz MQDZOIHRHYJKJL-BBRMVZONSA-N 1 1 347.434 3.575 20 30 EHEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000134636478 1021813620 /nfs/dbraw/zinc/81/36/20/1021813620.db2.gz MQDZOIHRHYJKJL-BBRMVZONSA-N 1 1 347.434 3.575 20 30 EHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](C)c1ccc(F)cc1 ZINC000437582488 1021974104 /nfs/dbraw/zinc/97/41/04/1021974104.db2.gz VEKURLSFVVUPPV-MRXNPFEDSA-N 1 1 326.415 3.949 20 30 EHEDMO CC(C)[N@H+](CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccc(C#N)cc1 ZINC000520173293 1021987604 /nfs/dbraw/zinc/98/76/04/1021987604.db2.gz BOKGGFADOCLQDA-UHFFFAOYSA-N 1 1 347.462 3.896 20 30 EHEDMO CC(C)[N@@H+](CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccc(C#N)cc1 ZINC000520173293 1021987613 /nfs/dbraw/zinc/98/76/13/1021987613.db2.gz BOKGGFADOCLQDA-UHFFFAOYSA-N 1 1 347.462 3.896 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CCC2CC2)c1 ZINC000441224717 1022079935 /nfs/dbraw/zinc/07/99/35/1022079935.db2.gz LREJQWWRJCUIKK-KRWDZBQOSA-N 1 1 327.472 3.671 20 30 EHEDMO CC[C@@H](CC#N)[NH2+]CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000517171583 1022103729 /nfs/dbraw/zinc/10/37/29/1022103729.db2.gz OJZBKFWLSZLHFS-OALUTQOASA-N 1 1 341.499 3.929 20 30 EHEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CCC#N)CC1 ZINC000299664502 1022107293 /nfs/dbraw/zinc/10/72/93/1022107293.db2.gz LVSBLDSEEUYIDT-UHFFFAOYSA-N 1 1 325.378 3.515 20 30 EHEDMO C=CC[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000426640893 1022124440 /nfs/dbraw/zinc/12/44/40/1022124440.db2.gz WAZCXLUSGUWGCN-IEBWSBKVSA-N 1 1 328.500 3.973 20 30 EHEDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(-n2ccnn2)cc1 ZINC000187445299 1022133040 /nfs/dbraw/zinc/13/30/40/1022133040.db2.gz QMHNJTJXEWMWRD-ZDUSSCGKSA-N 1 1 337.814 3.643 20 30 EHEDMO C=CCN(CCc1ccccc1)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000519504712 1022167284 /nfs/dbraw/zinc/16/72/84/1022167284.db2.gz GJQVPBXZPRQQJE-MOPGFXCFSA-N 1 1 343.515 3.690 20 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C[C@@H]1C[N@H+](Cc2cccc(NCc3cccc(C#N)c3)c2)C[C@H](C)O1 ZINC000151178464 1027515755 /nfs/dbraw/zinc/51/57/55/1027515755.db2.gz FIJFNYCJLIYRJQ-CALCHBBNSA-N 1 1 335.451 3.780 20 30 EHEDMO N#CCCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000129538568 1027573353 /nfs/dbraw/zinc/57/33/53/1027573353.db2.gz RFXBHSALVZPSLN-FQEVSTJZSA-N 1 1 335.451 3.728 20 30 EHEDMO C=C(C)CN1CCC([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000106245297 1027687046 /nfs/dbraw/zinc/68/70/46/1027687046.db2.gz SOAQEZSDIZVYLX-UHFFFAOYSA-N 1 1 344.890 3.656 20 30 EHEDMO N#Cc1cccc(OCC[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000533357252 1027725924 /nfs/dbraw/zinc/72/59/24/1027725924.db2.gz CINKGJJTFALBNM-JOCHJYFZSA-N 1 1 343.430 3.844 20 30 EHEDMO N#Cc1cccc(OCC[N@H+]2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000533357252 1027725941 /nfs/dbraw/zinc/72/59/41/1027725941.db2.gz CINKGJJTFALBNM-JOCHJYFZSA-N 1 1 343.430 3.844 20 30 EHEDMO C=CCCC[N@H+]1CCOC[C@@H]1c1c(C)nn(-c2ccccc2F)c1C ZINC000502300949 1028076567 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N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000053181994 1028165263 /nfs/dbraw/zinc/16/52/63/1028165263.db2.gz TWFPPAGXOWOKRY-KRWDZBQOSA-N 1 1 339.464 3.655 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(C)cc(C)c2)c(C#N)c1C ZINC000444693708 1028166759 /nfs/dbraw/zinc/16/67/59/1028166759.db2.gz IGGYRDKXRHDWQA-OAHLLOKOSA-N 1 1 339.439 3.844 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(C)cc(C)c2)c(C#N)c1C ZINC000444693708 1028166766 /nfs/dbraw/zinc/16/67/66/1028166766.db2.gz IGGYRDKXRHDWQA-OAHLLOKOSA-N 1 1 339.439 3.844 20 30 EHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000502452968 1028225373 /nfs/dbraw/zinc/22/53/73/1028225373.db2.gz BINFQMCLGQSFJL-RBUKOAKNSA-N 1 1 336.479 3.983 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000502452968 1028225387 /nfs/dbraw/zinc/22/53/87/1028225387.db2.gz BINFQMCLGQSFJL-RBUKOAKNSA-N 1 1 336.479 3.983 20 30 EHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000502472148 1028231119 /nfs/dbraw/zinc/23/11/19/1028231119.db2.gz YBTXGJVZSBLBDT-AWEZNQCLSA-N 1 1 330.378 3.980 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000502472148 1028231129 /nfs/dbraw/zinc/23/11/29/1028231129.db2.gz YBTXGJVZSBLBDT-AWEZNQCLSA-N 1 1 330.378 3.980 20 30 EHEDMO C=CC[C@@H]1[N@@H+](CC(=O)NCc2ccccc2COC)CCCC1(C)C ZINC000444780316 1028243267 /nfs/dbraw/zinc/24/32/67/1028243267.db2.gz DRVLOPXUPMDESS-IBGZPJMESA-N 1 1 344.499 3.516 20 30 EHEDMO C=CC[C@H]1[N@@H+](Cc2cc(=O)n3cccc(C)c3n2)CCCC1(C)C ZINC000444783872 1028244322 /nfs/dbraw/zinc/24/43/22/1028244322.db2.gz MEFXQWPMJGFBGC-QGZVFWFLSA-N 1 1 325.456 3.570 20 30 EHEDMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2cccc(NC(C)=O)c2)CCCC1(C)C ZINC000444783443 1028281409 /nfs/dbraw/zinc/28/14/09/1028281409.db2.gz KZIHBZBVESVDOY-SFHVURJKSA-N 1 1 343.471 3.650 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444791336 1028286623 /nfs/dbraw/zinc/28/66/23/1028286623.db2.gz AYDCYEGVPOQNKZ-KRWDZBQOSA-N 1 1 333.863 3.629 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444791336 1028286643 /nfs/dbraw/zinc/28/66/43/1028286643.db2.gz AYDCYEGVPOQNKZ-KRWDZBQOSA-N 1 1 333.863 3.629 20 30 EHEDMO N#Cc1ccc(C2=CC[N@@H+](CCOCCOc3ccccc3)CC2)cc1 ZINC000502511670 1028301619 /nfs/dbraw/zinc/30/16/19/1028301619.db2.gz PDSPXCMHGRAHOY-UHFFFAOYSA-N 1 1 348.446 3.743 20 30 EHEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1nc(C)cs1)c1ccc(F)c(F)c1 ZINC000187773282 1028353954 /nfs/dbraw/zinc/35/39/54/1028353954.db2.gz JKRGVJZCXAMKTJ-OAHLLOKOSA-N 1 1 337.395 3.575 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)cc1OC ZINC000428382604 1028389551 /nfs/dbraw/zinc/38/95/51/1028389551.db2.gz JSPWVXKXQCGIAE-SFHVURJKSA-N 1 1 331.456 3.651 20 30 EHEDMO C=CCCCCCN(C)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000523518542 1028392164 /nfs/dbraw/zinc/39/21/64/1028392164.db2.gz FYXXBVZHZHWHNO-GOSISDBHSA-N 1 1 343.515 3.821 20 30 EHEDMO C[C@H]1CCN(Cc2ccc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000354017527 1028393241 /nfs/dbraw/zinc/39/32/41/1028393241.db2.gz KPTCAVYKRHUIJT-KRWDZBQOSA-N 1 1 337.442 3.794 20 30 EHEDMO COc1cc(CNc2ccc3c(c2)[nH+]c(C2CC2)n3C)ccc1C#N ZINC000440607946 1028418029 /nfs/dbraw/zinc/41/80/29/1028418029.db2.gz GZAGEKIVOJGIKU-UHFFFAOYSA-N 1 1 332.407 3.943 20 30 EHEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C(C)(C)C1 ZINC000472274673 1028439834 /nfs/dbraw/zinc/43/98/34/1028439834.db2.gz HSQQVSNJDCMWII-ZDUSSCGKSA-N 1 1 345.512 3.948 20 30 EHEDMO C[N@@H+](CCNCc1cccc(OCCCC#N)c1)C1CCCCC1 ZINC000237157575 1028641176 /nfs/dbraw/zinc/64/11/76/1028641176.db2.gz XMEGBVCOIHYMNN-UHFFFAOYSA-N 1 1 329.488 3.723 20 30 EHEDMO CN(CC[NH2+]Cc1cccc(OCCCC#N)c1)C1CCCCC1 ZINC000237157575 1028641187 /nfs/dbraw/zinc/64/11/87/1028641187.db2.gz XMEGBVCOIHYMNN-UHFFFAOYSA-N 1 1 329.488 3.723 20 30 EHEDMO C[C@@H]1CCC[C@](CNCc2cccc(OCCCC#N)c2)([NH+](C)C)C1 ZINC000237368410 1028646759 /nfs/dbraw/zinc/64/67/59/1028646759.db2.gz XQUKXCDQIZYPKG-NQIIRXRSSA-N 1 1 343.515 3.969 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1Cl ZINC000021472257 1028647897 /nfs/dbraw/zinc/64/78/97/1028647897.db2.gz DDLXXQKIZPGSHL-UHFFFAOYSA-N 1 1 333.844 3.734 20 30 EHEDMO CC[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)CC(C)(C)O ZINC000093437104 1028684154 /nfs/dbraw/zinc/68/41/54/1028684154.db2.gz HGBOGTAGNZAIIR-UHFFFAOYSA-N 1 1 338.451 3.730 20 30 EHEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccncc2C)no1 ZINC001211975287 1028719509 /nfs/dbraw/zinc/71/95/09/1028719509.db2.gz BTHFGCLWELQFAN-RDJZCZTQSA-N 1 1 344.459 3.518 20 30 EHEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC001211975866 1028727388 /nfs/dbraw/zinc/72/73/88/1028727388.db2.gz ROLODYJGCICUNX-SJORKVTESA-N 1 1 347.434 3.954 20 30 EHEDMO N#Cc1cccc(C[NH2+][C@H]2COc3cc(F)c(Br)cc32)c1 ZINC000367068475 1028765616 /nfs/dbraw/zinc/76/56/16/1028765616.db2.gz XGIFSSVLDYDADK-HNNXBMFYSA-N 1 1 347.187 3.683 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(OC(F)F)c1 ZINC000065237917 1028795209 /nfs/dbraw/zinc/79/52/09/1028795209.db2.gz LVLPQQVDXISBRB-UHFFFAOYSA-N 1 1 346.377 3.808 20 30 EHEDMO C=CCn1cc(C[NH2+][C@H](C)c2ccc(OCCC(C)C)cc2)nn1 ZINC000424298935 1028941697 /nfs/dbraw/zinc/94/16/97/1028941697.db2.gz UOKATXXOODERBL-MRXNPFEDSA-N 1 1 328.460 3.740 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1F ZINC000191898914 1029132630 /nfs/dbraw/zinc/13/26/30/1029132630.db2.gz SDSJROFQFDNUQQ-QGZVFWFLSA-N 1 1 337.398 3.548 20 30 EHEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000533003660 1029163565 /nfs/dbraw/zinc/16/35/65/1029163565.db2.gz FAPSSGCFSUGKDA-FUHWJXTLSA-N 1 1 346.902 3.708 20 30 EHEDMO C=C(C)C(C)(C)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000424621135 1029185372 /nfs/dbraw/zinc/18/53/72/1029185372.db2.gz WAAZIKKYRGCQCR-UHFFFAOYSA-N 1 1 326.484 3.638 20 30 EHEDMO CC(C)CCN(CCC#N)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000078419468 1029315253 /nfs/dbraw/zinc/31/52/53/1029315253.db2.gz VTKBZRMNWDMJOQ-FQEVSTJZSA-N 1 1 341.499 3.687 20 30 EHEDMO N#Cc1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)c(F)c1 ZINC000121906868 1029348168 /nfs/dbraw/zinc/34/81/68/1029348168.db2.gz FAGYHHRIKDCAIV-UHFFFAOYSA-N 1 1 329.463 3.785 20 30 EHEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@H]2CCCC[C@H]12 ZINC000533239324 1029501228 /nfs/dbraw/zinc/50/12/28/1029501228.db2.gz VUTCIIBSBWHPFT-SUMDDJOVSA-N 1 1 325.456 3.787 20 30 EHEDMO CCC[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1)c1ccccc1 ZINC000272535984 1029501590 /nfs/dbraw/zinc/50/15/90/1029501590.db2.gz JAGADHVSLBOLKY-FUHWJXTLSA-N 1 1 327.472 3.658 20 30 EHEDMO CCc1ccc([C@@H](CNCc2ccc(C#N)cc2F)[NH+](C)C)cc1 ZINC000533312170 1029595520 /nfs/dbraw/zinc/59/55/20/1029595520.db2.gz KZSWIWMRJYXTQA-HXUWFJFHSA-N 1 1 325.431 3.652 20 30 EHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2C(C)(C)C)c(OC)c1 ZINC000525274251 1029768801 /nfs/dbraw/zinc/76/88/01/1029768801.db2.gz GIMJXXGSCSFQTN-YLJYHZDGSA-N 1 1 347.499 3.674 20 30 EHEDMO COC(=O)c1cccc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)c1C#N ZINC000533762890 1029794281 /nfs/dbraw/zinc/79/42/81/1029794281.db2.gz ZOEJKWILPBYVIQ-OAQYLSRUSA-N 1 1 346.430 3.997 20 30 EHEDMO COC(=O)c1cccc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c1C#N ZINC000533762890 1029794284 /nfs/dbraw/zinc/79/42/84/1029794284.db2.gz ZOEJKWILPBYVIQ-OAQYLSRUSA-N 1 1 346.430 3.997 20 30 EHEDMO C=C[C@@H](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000555938330 1029950581 /nfs/dbraw/zinc/95/05/81/1029950581.db2.gz MGZSPASAQBXCKM-FQEVSTJZSA-N 1 1 334.463 3.691 20 30 EHEDMO C=CC[N@H+](C)CCN(CC)[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000429700515 1029954455 /nfs/dbraw/zinc/95/44/55/1029954455.db2.gz HWOZQNAHPHSCMG-OAHLLOKOSA-N 1 1 346.450 3.685 20 30 EHEDMO CC(C)c1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c(O)c(=O)c1 ZINC000600564828 1029979001 /nfs/dbraw/zinc/97/90/01/1029979001.db2.gz YUHBVGCGEIWNMD-UHFFFAOYSA-N 1 1 348.446 3.500 20 30 EHEDMO CC(C)c1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)c(O)c(=O)c1 ZINC000600564828 1029979018 /nfs/dbraw/zinc/97/90/18/1029979018.db2.gz YUHBVGCGEIWNMD-UHFFFAOYSA-N 1 1 348.446 3.500 20 30 EHEDMO Cc1ccc(CNc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1C#N ZINC000600555406 1029980781 /nfs/dbraw/zinc/98/07/81/1029980781.db2.gz KGUVXBQSKAAYIX-QGZVFWFLSA-N 1 1 335.451 3.872 20 30 EHEDMO Cc1ccccc1[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000531912826 1030029816 /nfs/dbraw/zinc/02/98/16/1030029816.db2.gz PSXZKVDXANPJCK-NRFANRHFSA-N 1 1 336.435 3.709 20 30 EHEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000531912826 1030029834 /nfs/dbraw/zinc/02/98/34/1030029834.db2.gz PSXZKVDXANPJCK-NRFANRHFSA-N 1 1 336.435 3.709 20 30 EHEDMO C=CCC[C@@H](NC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)c1ccccc1 ZINC000458577424 1030057489 /nfs/dbraw/zinc/05/74/89/1030057489.db2.gz ORVRUICHIHGFRK-FXAWDEMLSA-N 1 1 341.499 3.820 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2cc(CC#N)ccn2)cc1)C(C)C ZINC000531925923 1030074804 /nfs/dbraw/zinc/07/48/04/1030074804.db2.gz PAOCEKFBHKKYTB-UHFFFAOYSA-N 1 1 336.439 3.630 20 30 EHEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000563707723 1030102946 /nfs/dbraw/zinc/10/29/46/1030102946.db2.gz MMNXYDCNFIREIT-KRWDZBQOSA-N 1 1 329.407 3.559 20 30 EHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000121289642 1030238072 /nfs/dbraw/zinc/23/80/72/1030238072.db2.gz NNVAVHOWNXLCNV-JXFKEZNVSA-N 1 1 341.451 3.553 20 30 EHEDMO C[C@H]1CC[N@@H+](C)CCN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000537637556 1030269210 /nfs/dbraw/zinc/26/92/10/1030269210.db2.gz YBJCSEJOWPBYCW-SFHVURJKSA-N 1 1 349.478 3.663 20 30 EHEDMO C[C@H]1CCN(C)CC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000537637556 1030269230 /nfs/dbraw/zinc/26/92/30/1030269230.db2.gz YBJCSEJOWPBYCW-SFHVURJKSA-N 1 1 349.478 3.663 20 30 EHEDMO C[C@H]1CCN(C)CC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000537637556 1030269250 /nfs/dbraw/zinc/26/92/50/1030269250.db2.gz YBJCSEJOWPBYCW-SFHVURJKSA-N 1 1 349.478 3.663 20 30 EHEDMO CCCN1CCC([N@H+](C)Cc2cccc(OCCCC#N)c2)CC1 ZINC000092165493 1030393634 /nfs/dbraw/zinc/39/36/34/1030393634.db2.gz VROAVIDTIOEQRP-UHFFFAOYSA-N 1 1 329.488 3.675 20 30 EHEDMO CCCN1CCC([N@@H+](C)Cc2cccc(OCCCC#N)c2)CC1 ZINC000092165493 1030393643 /nfs/dbraw/zinc/39/36/43/1030393643.db2.gz VROAVIDTIOEQRP-UHFFFAOYSA-N 1 1 329.488 3.675 20 30 EHEDMO CC(C)c1ccc2ncc(C#N)c(N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)c2c1 ZINC000447686241 1030420873 /nfs/dbraw/zinc/42/08/73/1030420873.db2.gz PKIPPKWPYNNWSN-MSOLQXFVSA-N 1 1 334.467 3.903 20 30 EHEDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000482527892 1030508075 /nfs/dbraw/zinc/50/80/75/1030508075.db2.gz GAPQQUIXDYMCFO-QZTJIDSGSA-N 1 1 349.478 3.662 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)[C@H](C)CN1C ZINC000482527892 1030508086 /nfs/dbraw/zinc/50/80/86/1030508086.db2.gz GAPQQUIXDYMCFO-QZTJIDSGSA-N 1 1 349.478 3.662 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)[C@H](C)CN1C ZINC000482527892 1030508096 /nfs/dbraw/zinc/50/80/96/1030508096.db2.gz GAPQQUIXDYMCFO-QZTJIDSGSA-N 1 1 349.478 3.662 20 30 EHEDMO C[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447854285 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/nfs/dbraw/zinc/50/47/81/1034504781.db2.gz JJUDQANQVANQJW-KRWDZBQOSA-N 1 1 340.467 3.797 20 30 EHEDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597084193 1034534964 /nfs/dbraw/zinc/53/49/64/1034534964.db2.gz LCSATZANQDWGFL-SFHVURJKSA-N 1 1 340.467 3.653 20 30 EHEDMO Cc1c(Br)cc(C[NH2+]C[C@@H](C)C#N)cc1Br ZINC000390229101 1034556916 /nfs/dbraw/zinc/55/69/16/1034556916.db2.gz CEKQCVFZLXFFCR-QMMMGPOBSA-N 1 1 346.066 3.769 20 30 EHEDMO COCC1(C2CCC2)C[NH+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000597196602 1034579003 /nfs/dbraw/zinc/57/90/03/1034579003.db2.gz SOLVRUFUEJCYBW-UHFFFAOYSA-N 1 1 338.373 3.826 20 30 EHEDMO C[NH+](C)C1(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000597318126 1034685361 /nfs/dbraw/zinc/68/53/61/1034685361.db2.gz JUTATNSNTYYVDT-UHFFFAOYSA-N 1 1 339.370 3.522 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)cc1OC ZINC000375850848 1034719370 /nfs/dbraw/zinc/71/93/70/1034719370.db2.gz STSCXEUUYDKSSZ-GOSISDBHSA-N 1 1 341.455 3.639 20 30 EHEDMO C=CCCCN(C)C(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000605645489 1034808930 /nfs/dbraw/zinc/80/89/30/1034808930.db2.gz KPXWYNMUZUPGIR-SFHVURJKSA-N 1 1 344.499 3.978 20 30 EHEDMO C[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCCc2ccccc21 ZINC000008126986 1034862386 /nfs/dbraw/zinc/86/23/86/1034862386.db2.gz OUCXKXDZCGSLRP-MRXNPFEDSA-N 1 1 325.437 3.568 20 30 EHEDMO C#CCOc1ccccc1CNCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000065976644 1035047068 /nfs/dbraw/zinc/04/70/68/1035047068.db2.gz URIOIHQKPCUOAN-UHFFFAOYSA-N 1 1 336.479 3.829 20 30 EHEDMO C#CCOc1ccccc1CNCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000065976644 1035047076 /nfs/dbraw/zinc/04/70/76/1035047076.db2.gz URIOIHQKPCUOAN-UHFFFAOYSA-N 1 1 336.479 3.829 20 30 EHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1cccc(C)c1 ZINC000613382101 1035711408 /nfs/dbraw/zinc/71/14/08/1035711408.db2.gz LSMGWOJTDGGOAF-FQEVSTJZSA-N 1 1 325.452 3.595 20 30 EHEDMO C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000588216157 1035825017 /nfs/dbraw/zinc/82/50/17/1035825017.db2.gz CQPBNXIMFPUXEW-BHIYHBOVSA-N 1 1 344.499 3.639 20 30 EHEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3CCc3ccccc3)n2c1 ZINC000180151194 1035848987 /nfs/dbraw/zinc/84/89/87/1035848987.db2.gz UDMGGESBSWRJSY-LJQANCHMSA-N 1 1 330.435 3.803 20 30 EHEDMO Cc1ccnc(OC2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)c1 ZINC000541121876 1036016611 /nfs/dbraw/zinc/01/66/11/1036016611.db2.gz CDXJJQFVMLWLSN-UHFFFAOYSA-N 1 1 340.854 3.938 20 30 EHEDMO CC[C@@](O)(C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)C(F)(F)F ZINC000929666823 1036064074 /nfs/dbraw/zinc/06/40/74/1036064074.db2.gz DXFLWZCABVATGM-MRVPVSSYSA-N 1 1 347.221 3.507 20 30 EHEDMO CC[C@@](O)(C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)C(F)(F)F ZINC000929666823 1036064087 /nfs/dbraw/zinc/06/40/87/1036064087.db2.gz DXFLWZCABVATGM-MRVPVSSYSA-N 1 1 347.221 3.507 20 30 EHEDMO N#Cc1ccc(Br)c(C[NH2+][C@H](CCO)c2ccccc2)c1 ZINC000492610957 1036075934 /nfs/dbraw/zinc/07/59/34/1036075934.db2.gz YHVOTQSMRDGZST-QGZVFWFLSA-N 1 1 345.240 3.534 20 30 EHEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000063483699 1036122369 /nfs/dbraw/zinc/12/23/69/1036122369.db2.gz YAJXXKCBDLIMNM-CQSZACIVSA-N 1 1 325.387 3.719 20 30 EHEDMO Cc1cc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)ncc1C#N ZINC000457447476 1036138096 /nfs/dbraw/zinc/13/80/96/1036138096.db2.gz FRROXKPGFMNQRM-OAHLLOKOSA-N 1 1 348.450 3.746 20 30 EHEDMO COC(=O)c1cccc(C[NH+]2CCC(c3ccccc3)CC2)c1C#N ZINC000535223842 1036211705 /nfs/dbraw/zinc/21/17/05/1036211705.db2.gz CLMCRLSRNAGHOM-UHFFFAOYSA-N 1 1 334.419 3.724 20 30 EHEDMO Cc1cc(N2C[C@@H]3CCC[C@H]3C2)c(C#N)c(N2C[C@@H]3CCC[C@@H]3C2)[nH+]1 ZINC000589112917 1036256383 /nfs/dbraw/zinc/25/63/83/1036256383.db2.gz LZUYXPMQIJIBMZ-XLAORIBOSA-N 1 1 336.483 3.734 20 30 EHEDMO CC(C)[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)CCS1 ZINC000492774470 1036278034 /nfs/dbraw/zinc/27/80/34/1036278034.db2.gz QYLYVBKXXQPWGN-HNNXBMFYSA-N 1 1 339.302 3.894 20 30 EHEDMO CC(C)[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)CCS1 ZINC000492774470 1036278048 /nfs/dbraw/zinc/27/80/48/1036278048.db2.gz QYLYVBKXXQPWGN-HNNXBMFYSA-N 1 1 339.302 3.894 20 30 EHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249746630 1036522826 /nfs/dbraw/zinc/52/28/26/1036522826.db2.gz ZZGRGTLVHADEDQ-QZTJIDSGSA-N 1 1 347.245 3.955 20 30 EHEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(=O)Nc1ccccc1C#N ZINC000056851787 1036585107 /nfs/dbraw/zinc/58/51/07/1036585107.db2.gz XEUMNXBREWVJAF-NWDGAFQWSA-N 1 1 329.350 3.514 20 30 EHEDMO C[N@H+]1C[C@H]2CCN(CCC(C#N)(c3ccccc3)c3ccccc3)[C@H]2C1 ZINC000590011074 1036698581 /nfs/dbraw/zinc/69/85/81/1036698581.db2.gz HAQDPKBYQIDHJK-KNQAVFIVSA-N 1 1 345.490 3.522 20 30 EHEDMO CN1C[C@H]2CC[N@H+](CCC(C#N)(c3ccccc3)c3ccccc3)[C@H]2C1 ZINC000590011074 1036698587 /nfs/dbraw/zinc/69/85/87/1036698587.db2.gz HAQDPKBYQIDHJK-KNQAVFIVSA-N 1 1 345.490 3.522 20 30 EHEDMO CN1C[C@H]2CC[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)[C@H]2C1 ZINC000590011074 1036698598 /nfs/dbraw/zinc/69/85/98/1036698598.db2.gz HAQDPKBYQIDHJK-KNQAVFIVSA-N 1 1 345.490 3.522 20 30 EHEDMO C[C@]1(O)CCCC[C@H]1[C@@H]1CCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000428192500 1036728010 /nfs/dbraw/zinc/72/80/10/1036728010.db2.gz RJPOHWPZFIHLQZ-JBACZVJFSA-N 1 1 337.467 3.717 20 30 EHEDMO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)cc1C#N ZINC000191237942 1036734197 /nfs/dbraw/zinc/73/41/97/1036734197.db2.gz YZWFINMQLKBEMN-QGZVFWFLSA-N 1 1 344.256 3.996 20 30 EHEDMO Cn1cc(C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)cc1C#N ZINC000191237942 1036734215 /nfs/dbraw/zinc/73/42/15/1036734215.db2.gz YZWFINMQLKBEMN-QGZVFWFLSA-N 1 1 344.256 3.996 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1c1cccc(C)c1C ZINC000464782223 1036775671 /nfs/dbraw/zinc/77/56/71/1036775671.db2.gz VZLWUTXWWFNGSQ-UZLBHIALSA-N 1 1 341.499 3.839 20 30 EHEDMO CCCN(C(=O)CC1(C#N)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000590202961 1036794931 /nfs/dbraw/zinc/79/49/31/1036794931.db2.gz WKONIRJWXNUVLQ-IBGZPJMESA-N 1 1 339.483 3.583 20 30 EHEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)nc1 ZINC000428786808 1036797013 /nfs/dbraw/zinc/79/70/13/1036797013.db2.gz XDLBVOABYAMEBC-OAHLLOKOSA-N 1 1 348.233 3.913 20 30 EHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3Cl)C2)nc1 ZINC000428786808 1036797031 /nfs/dbraw/zinc/79/70/31/1036797031.db2.gz XDLBVOABYAMEBC-OAHLLOKOSA-N 1 1 348.233 3.913 20 30 EHEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C[C@H]1C ZINC000464835468 1036844714 /nfs/dbraw/zinc/84/47/14/1036844714.db2.gz IRRZCFWWACVDCM-MELADBBJSA-N 1 1 345.512 3.661 20 30 EHEDMO N#Cc1cc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@@H](CO)C2)ccc1F ZINC000347367777 1036867071 /nfs/dbraw/zinc/86/70/71/1036867071.db2.gz JOIHGWSUMVWDCI-NVXWUHKLSA-N 1 1 342.439 3.698 20 30 EHEDMO N#Cc1ccc(OCC[N@H+](Cc2ccco2)Cc2cccnc2)cc1 ZINC000180467261 1036869847 /nfs/dbraw/zinc/86/98/47/1036869847.db2.gz MNOJUMXZROTPTF-UHFFFAOYSA-N 1 1 333.391 3.627 20 30 EHEDMO N#Cc1ccc(OCC[N@@H+](Cc2ccco2)Cc2cccnc2)cc1 ZINC000180467261 1036869872 /nfs/dbraw/zinc/86/98/72/1036869872.db2.gz MNOJUMXZROTPTF-UHFFFAOYSA-N 1 1 333.391 3.627 20 30 EHEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000152479824 1036874884 /nfs/dbraw/zinc/87/48/84/1036874884.db2.gz AVOYUVHPYJMSSH-CVEARBPZSA-N 1 1 334.891 3.953 20 30 EHEDMO C[C@@H]1C[C@H](C)CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000443652403 1036944790 /nfs/dbraw/zinc/94/47/90/1036944790.db2.gz KNDHKJIFJNVGPC-ZIAGYGMSSA-N 1 1 345.512 3.805 20 30 EHEDMO N#Cc1c(NC(=O)CC[N@@H+](C2CC2)C2CCCC2)sc2c1CCC2 ZINC000103466304 1036989098 /nfs/dbraw/zinc/98/90/98/1036989098.db2.gz HDACLYSJKSMVSQ-UHFFFAOYSA-N 1 1 343.496 3.844 20 30 EHEDMO CC(C)(C)[N@H+]1CC[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000594955732 1037055986 /nfs/dbraw/zinc/05/59/86/1037055986.db2.gz DCUPZWWYPJVYMV-CQSZACIVSA-N 1 1 325.378 3.539 20 30 EHEDMO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000594955732 1037056004 /nfs/dbraw/zinc/05/60/04/1037056004.db2.gz DCUPZWWYPJVYMV-CQSZACIVSA-N 1 1 325.378 3.539 20 30 EHEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)Cc2cc(F)c(F)c(F)c2)cc1 ZINC001168457546 1037109238 /nfs/dbraw/zinc/10/92/38/1037109238.db2.gz CUFDUWMDOVUARP-UHFFFAOYSA-N 1 1 346.352 3.546 20 30 EHEDMO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1ccc(C#N)cc1F ZINC000590956461 1037139877 /nfs/dbraw/zinc/13/98/77/1037139877.db2.gz WMYIRHLDAVOAIU-UHFFFAOYSA-N 1 1 340.427 3.882 20 30 EHEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C3CCC3)C2)sc2c1CCC2 ZINC000591061662 1037222454 /nfs/dbraw/zinc/22/24/54/1037222454.db2.gz CJPMLJPULXBCOT-CQSZACIVSA-N 1 1 343.496 3.559 20 30 EHEDMO C[C@H]1OCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)[C@H]1C ZINC000539827486 1037252995 /nfs/dbraw/zinc/25/29/95/1037252995.db2.gz DJJVCIJUXOWKPR-DLBZAZTESA-N 1 1 336.435 3.746 20 30 EHEDMO C[C@H]1OCC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)[C@H]1C ZINC000539827486 1037253007 /nfs/dbraw/zinc/25/30/07/1037253007.db2.gz DJJVCIJUXOWKPR-DLBZAZTESA-N 1 1 336.435 3.746 20 30 EHEDMO C=C(C)COc1cc(CN(C)CC[C@@H]2CCCC[N@H+]2C)ccc1OC ZINC000539834676 1037262078 /nfs/dbraw/zinc/26/20/78/1037262078.db2.gz JDHYRGBFMNHYRY-IBGZPJMESA-N 1 1 346.515 3.956 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000057950531 1037271848 /nfs/dbraw/zinc/27/18/48/1037271848.db2.gz FZBBMVBLJQRUAE-OAHLLOKOSA-N 1 1 337.872 3.829 20 30 EHEDMO Cc1ccc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)cc1 ZINC000542323281 1037301138 /nfs/dbraw/zinc/30/11/38/1037301138.db2.gz QPGXFNWIKYXYAM-QFBILLFUSA-N 1 1 333.435 3.683 20 30 EHEDMO N#Cc1cnc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)c(Cl)c1 ZINC000278805782 1037340590 /nfs/dbraw/zinc/34/05/90/1037340590.db2.gz HXIAPRHZNGNVOA-UHFFFAOYSA-N 1 1 341.846 3.523 20 30 EHEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3Cl)C2)nc1 ZINC000428798789 1037366396 /nfs/dbraw/zinc/36/63/96/1037366396.db2.gz UPOBQAGGRGQLMY-OAHLLOKOSA-N 1 1 348.233 3.913 20 30 EHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(Cl)ccc3Cl)C2)nc1 ZINC000428798789 1037366412 /nfs/dbraw/zinc/36/64/12/1037366412.db2.gz UPOBQAGGRGQLMY-OAHLLOKOSA-N 1 1 348.233 3.913 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCCCc1ccccc1 ZINC000053079377 1037373994 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N#CC[C@@]1(O)CC[N@@H+](Cc2cccc(SCc3ccccc3)c2)C1 ZINC000592152811 1037853208 /nfs/dbraw/zinc/85/32/08/1037853208.db2.gz DYCDDNQHRVDBCL-HXUWFJFHSA-N 1 1 338.476 3.829 20 30 EHEDMO N#Cc1c2c(c[nH+]c1NC[C@H]1C[C@H](F)C1)CCN2Cc1ccccc1 ZINC001168237284 1037865053 /nfs/dbraw/zinc/86/50/53/1037865053.db2.gz OMJAKNGYHDJQRU-JCNLHEQBSA-N 1 1 336.414 3.676 20 30 EHEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc4ccccc4s3)C2)nc1 ZINC000428807186 1037875866 /nfs/dbraw/zinc/87/58/66/1037875866.db2.gz QKXSMKGBUNGZBN-INIZCTEOSA-N 1 1 335.432 3.821 20 30 EHEDMO N#CCCCOc1cccc(CN2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000179769714 1037916868 /nfs/dbraw/zinc/91/68/68/1037916868.db2.gz WCWZIVANWOZSNU-UHFFFAOYSA-N 1 1 341.499 3.819 20 30 EHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H](C)C1 ZINC000187982542 1037954714 /nfs/dbraw/zinc/95/47/14/1037954714.db2.gz BEBMDLIWEFCRKY-CVEARBPZSA-N 1 1 345.512 3.999 20 30 EHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](C)c1ccc(OC)cc1 ZINC000540498642 1038020054 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N#CCSCCC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339163675 1038518478 /nfs/dbraw/zinc/51/84/78/1038518478.db2.gz FAUMAXADKXGXJV-CQSZACIVSA-N 1 1 340.290 3.628 20 30 EHEDMO N#CCSCCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339163675 1038518481 /nfs/dbraw/zinc/51/84/81/1038518481.db2.gz FAUMAXADKXGXJV-CQSZACIVSA-N 1 1 340.290 3.628 20 30 EHEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](OCCC)CC2)c1C ZINC000108398328 1038553203 /nfs/dbraw/zinc/55/32/03/1038553203.db2.gz CKKKLSHAFFJMNP-GOSISDBHSA-N 1 1 332.488 3.755 20 30 EHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](OCCC)CC2)c1C ZINC000108398328 1038553211 /nfs/dbraw/zinc/55/32/11/1038553211.db2.gz CKKKLSHAFFJMNP-GOSISDBHSA-N 1 1 332.488 3.755 20 30 EHEDMO C[N@@H+](CCc1cccc(NC(=O)CCc2ccc(C#N)cc2)c1)C1CC1 ZINC000539328937 1038779117 /nfs/dbraw/zinc/77/91/17/1038779117.db2.gz TUZVHNJMTWVTJG-UHFFFAOYSA-N 1 1 347.462 3.766 20 30 EHEDMO C[C@H]1CSCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000488237923 1038993402 /nfs/dbraw/zinc/99/34/02/1038993402.db2.gz ZQUVCODOGVJWFR-CYBMUJFWSA-N 1 1 329.387 3.622 20 30 EHEDMO C=CC[C@@H](C)NC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000667610943 1039081284 /nfs/dbraw/zinc/08/12/84/1039081284.db2.gz XBHDEKOOINGELB-GFCCVEGCSA-N 1 1 344.484 3.977 20 30 EHEDMO Cc1cc(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)ccc1C#N ZINC000488320891 1039100209 /nfs/dbraw/zinc/10/02/09/1039100209.db2.gz ONZKBLMXRGFPQE-MRXNPFEDSA-N 1 1 325.481 3.807 20 30 EHEDMO N#Cc1ccc(N2CCC([NH2+]CC(F)(F)c3ccccc3)CC2)cc1 ZINC000552283026 1039132610 /nfs/dbraw/zinc/13/26/10/1039132610.db2.gz VGGDYKHRELOYLC-UHFFFAOYSA-N 1 1 341.405 3.909 20 30 EHEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000488457798 1039189744 /nfs/dbraw/zinc/18/97/44/1039189744.db2.gz MLVQULOVQNUBRJ-UHFFFAOYSA-N 1 1 332.463 3.649 20 30 EHEDMO C=C(C)CNC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000488544779 1039260940 /nfs/dbraw/zinc/26/09/40/1039260940.db2.gz AOCSUEVACKNIMP-UHFFFAOYSA-N 1 1 347.462 3.660 20 30 EHEDMO C[C@H]1CN(c2ccc(Br)cc2C#N)CC[N@H+](C2CCC2)C1 ZINC000488727383 1039348494 /nfs/dbraw/zinc/34/84/94/1039348494.db2.gz DSDSCLKLJJEFMG-CYBMUJFWSA-N 1 1 348.288 3.631 20 30 EHEDMO C=CCC(C)(C)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000552847332 1039563695 /nfs/dbraw/zinc/56/36/95/1039563695.db2.gz UHNUVQOWAPWOQE-RBUKOAKNSA-N 1 1 326.484 3.569 20 30 EHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000480525901 1039633767 /nfs/dbraw/zinc/63/37/67/1039633767.db2.gz UEMGHQZAHDRLSW-UHFFFAOYSA-N 1 1 325.843 3.924 20 30 EHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000480525901 1039633777 /nfs/dbraw/zinc/63/37/77/1039633777.db2.gz UEMGHQZAHDRLSW-UHFFFAOYSA-N 1 1 325.843 3.924 20 30 EHEDMO C=CC[N@H+](CC(=O)Nc1nc2c(s1)CCC2)CC1CCCCC1 ZINC000554809770 1039767612 /nfs/dbraw/zinc/76/76/12/1039767612.db2.gz BSCNYDCSAPWPPF-UHFFFAOYSA-N 1 1 333.501 3.639 20 30 EHEDMO Cc1cc(C#N)cnc1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000549805403 1039938521 /nfs/dbraw/zinc/93/85/21/1039938521.db2.gz GQYIXMZEZMKGRL-INIZCTEOSA-N 1 1 348.450 3.888 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCCC3(CCOCC3)C2)c(OC(F)F)c1 ZINC000489489094 1040035222 /nfs/dbraw/zinc/03/52/22/1040035222.db2.gz YLFLHGWXCBGFBH-UHFFFAOYSA-N 1 1 336.382 3.552 20 30 EHEDMO COCC[N@@H+](CCCc1ccccc1)Cc1ccc(F)cc1C#N ZINC000489546288 1040065841 /nfs/dbraw/zinc/06/58/41/1040065841.db2.gz HBSUNWZVRHCUBH-UHFFFAOYSA-N 1 1 326.415 3.779 20 30 EHEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000432907068 1040134775 /nfs/dbraw/zinc/13/47/75/1040134775.db2.gz YRZHILSGRDLQHC-CQSZACIVSA-N 1 1 325.387 3.719 20 30 EHEDMO C=CCSc1ccccc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000486480207 1040169729 /nfs/dbraw/zinc/16/97/29/1040169729.db2.gz FSCVSEAEEHLMTQ-UHFFFAOYSA-N 1 1 332.513 3.959 20 30 EHEDMO C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000479462568 1040261706 /nfs/dbraw/zinc/26/17/06/1040261706.db2.gz GMYQFXPTQAYZLK-LPHOPBHVSA-N 1 1 337.442 3.870 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C(C)(C)C)CC2)c(C#N)c1C ZINC000341501186 1040300160 /nfs/dbraw/zinc/30/01/60/1040300160.db2.gz UELPIPYEIWAGKU-ZDUSSCGKSA-N 1 1 331.460 3.853 20 30 EHEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)[C@H]1CC[C@@H](C#N)C1 ZINC000555336984 1040454491 /nfs/dbraw/zinc/45/44/91/1040454491.db2.gz MOMRQIYQHFQFFE-KDOFPFPSSA-N 1 1 326.419 3.772 20 30 EHEDMO C[N@@H+]1CC[C@H](NC2(c3cccc(C#N)c3)CC2)C[C@H]1c1ccccc1 ZINC000566568994 1040549598 /nfs/dbraw/zinc/54/95/98/1040549598.db2.gz YSCCPHKSHLREFY-SFTDATJTSA-N 1 1 331.463 3.972 20 30 EHEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000481272814 1040591292 /nfs/dbraw/zinc/59/12/92/1040591292.db2.gz WWTAHXSDQREJLS-UHFFFAOYSA-N 1 1 342.487 3.928 20 30 EHEDMO C=C(C)C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000481272814 1040591300 /nfs/dbraw/zinc/59/13/00/1040591300.db2.gz WWTAHXSDQREJLS-UHFFFAOYSA-N 1 1 342.487 3.928 20 30 EHEDMO N#CC1(C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCC1 ZINC000418143970 1040643929 /nfs/dbraw/zinc/64/39/29/1040643929.db2.gz RPKVAPNKGQLOOU-UHFFFAOYSA-N 1 1 334.345 3.675 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000542247726 1040650339 /nfs/dbraw/zinc/65/03/39/1040650339.db2.gz PMUDYCGNHLLAFT-UONOGXRCSA-N 1 1 331.847 3.827 20 30 EHEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000433075928 1040653459 /nfs/dbraw/zinc/65/34/59/1040653459.db2.gz IJLIMXDIXCVZOM-IBGZPJMESA-N 1 1 347.380 3.592 20 30 EHEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000027558054 1040661810 /nfs/dbraw/zinc/66/18/10/1040661810.db2.gz PJMNBMDLSPDHAP-LBPRGKRZSA-N 1 1 331.416 3.780 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H](c1ccccc1Cl)C(C)C ZINC000500216424 1040731729 /nfs/dbraw/zinc/73/17/29/1040731729.db2.gz VUFMLOJZBKDENG-DNVCBOLYSA-N 1 1 349.906 3.977 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](c1ccccc1Cl)C(C)C ZINC000500216424 1040731750 /nfs/dbraw/zinc/73/17/50/1040731750.db2.gz VUFMLOJZBKDENG-DNVCBOLYSA-N 1 1 349.906 3.977 20 30 EHEDMO N#CCc1cccc2c1CC[N@H+](Cc1c[nH]nc1-c1ccsc1)C2 ZINC000600213065 1040829643 /nfs/dbraw/zinc/82/96/43/1040829643.db2.gz PODGWPZFNHFNEX-UHFFFAOYSA-N 1 1 334.448 3.763 20 30 EHEDMO N#CCc1cccc2c1CC[N@@H+](Cc1c[nH]nc1-c1ccsc1)C2 ZINC000600213065 1040829652 /nfs/dbraw/zinc/82/96/52/1040829652.db2.gz PODGWPZFNHFNEX-UHFFFAOYSA-N 1 1 334.448 3.763 20 30 EHEDMO C#Cc1cccc(NC(=O)N(CC)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000155648381 1040882363 /nfs/dbraw/zinc/88/23/63/1040882363.db2.gz CDGIFBFYPWDRCG-NRFANRHFSA-N 1 1 347.462 3.796 20 30 EHEDMO C=CCc1cc(CNCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1O ZINC000500287270 1040934849 /nfs/dbraw/zinc/93/48/49/1040934849.db2.gz KCLVULGDTPDZCM-CALCHBBNSA-N 1 1 346.515 3.587 20 30 EHEDMO C=CC[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000487582073 1040980128 /nfs/dbraw/zinc/98/01/28/1040980128.db2.gz FWWLHESGDFFXKE-NRFANRHFSA-N 1 1 334.463 3.691 20 30 EHEDMO C=C(C)[C@H]([NH2+]CC(=O)N1CCCC[C@@H]1CC)c1ccc(F)c(F)c1 ZINC000481571018 1041093872 /nfs/dbraw/zinc/09/38/72/1041093872.db2.gz NVIKLMLDFFGRSX-KXBFYZLASA-N 1 1 336.426 3.963 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000481580457 1041110676 /nfs/dbraw/zinc/11/06/76/1041110676.db2.gz KEKXYGQPWTYWLA-RDTXWAMCSA-N 1 1 334.410 3.761 20 30 EHEDMO C=C(C)[C@H]([NH2+]CC(=O)N1C[C@@H](C)C[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000481581874 1041112933 /nfs/dbraw/zinc/11/29/33/1041112933.db2.gz PJGAJUGUXQLDLZ-NJSLBKSFSA-N 1 1 336.426 3.676 20 30 EHEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c(OC)c1OC ZINC000487857989 1041134892 /nfs/dbraw/zinc/13/48/92/1041134892.db2.gz LJJNNRNNWMQWKI-CQSZACIVSA-N 1 1 340.423 3.777 20 30 EHEDMO CC1CCC([N@@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@H]2CCCO2)CC1 ZINC000156527843 1041266661 /nfs/dbraw/zinc/26/66/61/1041266661.db2.gz SATOPSAJOLIIQW-OLBNFPALSA-N 1 1 342.483 3.651 20 30 EHEDMO N#Cc1cccc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000511858912 1041733194 /nfs/dbraw/zinc/73/31/94/1041733194.db2.gz JKSJMHIIBQSORU-PWRODBHTSA-N 1 1 345.446 3.765 20 30 EHEDMO FC(F)(F)c1ccc(C#CC[NH2+]Cc2nc3c(s2)CCC3)cc1 ZINC000093079022 1041843788 /nfs/dbraw/zinc/84/37/88/1041843788.db2.gz WKLIFSJHYNHKQK-UHFFFAOYSA-N 1 1 336.382 3.792 20 30 EHEDMO C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661506144 1042158542 /nfs/dbraw/zinc/15/85/42/1042158542.db2.gz DGVFOCMJZFUDFQ-SFHVURJKSA-N 1 1 329.488 3.647 20 30 EHEDMO CC(C)[C@@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)N1CCC(C)CC1 ZINC000236728456 1042166511 /nfs/dbraw/zinc/16/65/11/1042166511.db2.gz CNCALKXXPPPXGK-GHTZIAJQSA-N 1 1 343.515 3.824 20 30 EHEDMO O=C1CCCC12CC[NH+](CC#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000661955305 1042430599 /nfs/dbraw/zinc/43/05/99/1042430599.db2.gz FTJYOOSHXYVBAY-UHFFFAOYSA-N 1 1 335.369 3.892 20 30 EHEDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)CC(=O)NCc1ccc(C#N)cc1 ZINC000468929141 1042443239 /nfs/dbraw/zinc/44/32/39/1042443239.db2.gz LFMALBOPYFQXTR-OAQYLSRUSA-N 1 1 349.478 3.518 20 30 EHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(C#N)c2C)C1 ZINC000432278800 1042462613 /nfs/dbraw/zinc/46/26/13/1042462613.db2.gz ABZAAQDPVKZVNK-INIZCTEOSA-N 1 1 342.487 3.889 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000662090325 1042511587 /nfs/dbraw/zinc/51/15/87/1042511587.db2.gz MUNCULTZYHABKS-JCGIZDLHSA-N 1 1 336.439 3.587 20 30 EHEDMO N#Cc1ccc(F)c(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000382292481 1042756113 /nfs/dbraw/zinc/75/61/13/1042756113.db2.gz VDSCYZGAENPNOW-PZJWPPBQSA-N 1 1 349.453 3.651 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000344023670 1043115272 /nfs/dbraw/zinc/11/52/72/1043115272.db2.gz BDCHOLPOSHFMAE-IRXDYDNUSA-N 1 1 327.472 3.690 20 30 EHEDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000512152127 1043465520 /nfs/dbraw/zinc/46/55/20/1043465520.db2.gz LIRHZPFDJMMGST-MJGOQNOKSA-N 1 1 339.483 3.802 20 30 EHEDMO CC[C@]1(C)CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000344226485 1043476741 /nfs/dbraw/zinc/47/67/41/1043476741.db2.gz XWZLDFDUVWZROE-GOSISDBHSA-N 1 1 331.485 3.559 20 30 EHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1CCc2ccccc2C1 ZINC000512214493 1044172321 /nfs/dbraw/zinc/17/23/21/1044172321.db2.gz WLCCSDPNZMDCJN-QGZVFWFLSA-N 1 1 325.452 3.955 20 30 EHEDMO C=CCCCCCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000606968140 1044563620 /nfs/dbraw/zinc/56/36/20/1044563620.db2.gz RWTVGMFXTFQPFV-IBGZPJMESA-N 1 1 329.488 3.649 20 30 EHEDMO C=C1CC(C(=O)N2CCC[C@]3(CC[N@H+](CCCC(F)(F)F)C3)C2)C1 ZINC001272708768 1125695919 /nfs/dbraw/zinc/69/59/19/1125695919.db2.gz DHJSPCQRBREBMD-QGZVFWFLSA-N 1 1 344.421 3.610 20 30 EHEDMO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ncc(Br)s1 ZINC000922319818 1129466400 /nfs/dbraw/zinc/46/64/00/1129466400.db2.gz DGUFGSFQWYBOQI-UHFFFAOYSA-N 1 1 336.258 3.684 20 30 EHEDMO N#CCCC[N@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000174426949 1126852803 /nfs/dbraw/zinc/85/28/03/1126852803.db2.gz YKKHBDHNZHJJRK-CQSZACIVSA-N 1 1 340.208 3.732 20 30 EHEDMO N#CCCC[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000174426949 1126852805 /nfs/dbraw/zinc/85/28/05/1126852805.db2.gz YKKHBDHNZHJJRK-CQSZACIVSA-N 1 1 340.208 3.732 20 30 EHEDMO C=CCOc1c(Cl)cc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1OC ZINC000623335901 1126917925 /nfs/dbraw/zinc/91/79/25/1126917925.db2.gz KRWFVHLAZRPYRS-UHFFFAOYSA-N 1 1 340.895 3.591 20 30 EHEDMO C#CC[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C1CC1 ZINC000763959823 1126987713 /nfs/dbraw/zinc/98/77/13/1126987713.db2.gz KJVRXJJRKWLREK-UHFFFAOYSA-N 1 1 342.240 3.504 20 30 EHEDMO C#CC[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C1CC1 ZINC000763959823 1126987717 /nfs/dbraw/zinc/98/77/17/1126987717.db2.gz KJVRXJJRKWLREK-UHFFFAOYSA-N 1 1 342.240 3.504 20 30 EHEDMO COc1ccc(CCC2CC[NH+](C[C@H](C#N)CCC#N)CC2)cc1 ZINC000073182232 1127186603 /nfs/dbraw/zinc/18/66/03/1127186603.db2.gz BGEUAXTWVTZRML-IBGZPJMESA-N 1 1 325.456 3.783 20 30 EHEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000325119038 1127350674 /nfs/dbraw/zinc/35/06/74/1127350674.db2.gz RMLXFQOLXSWGLE-HNNXBMFYSA-N 1 1 325.408 3.567 20 30 EHEDMO C#CC[N@H+](Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1)C1CC1 ZINC000764676350 1127521636 /nfs/dbraw/zinc/52/16/36/1127521636.db2.gz KHKRLWXNBQBLSQ-UHFFFAOYSA-N 1 1 337.467 3.911 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CCC1=NNCc1ccc(Cl)cc1 ZINC000764719529 1127526084 /nfs/dbraw/zinc/52/60/84/1127526084.db2.gz ZKAOWQAMKZNJHO-HNNXBMFYSA-N 1 1 342.874 3.723 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)C[C@H](O)COc1cc(C)ccc1Cl ZINC001168579387 1128005616 /nfs/dbraw/zinc/00/56/16/1128005616.db2.gz IUFGSDPQZIVVNU-INIZCTEOSA-N 1 1 349.858 3.712 20 30 EHEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)[C@H]2C)ccc1Cl ZINC000347530073 1128049755 /nfs/dbraw/zinc/04/97/55/1128049755.db2.gz NUPAJFDWPVUHQU-UKRRQHHQSA-N 1 1 333.863 3.625 20 30 EHEDMO N#Cc1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000301109408 1128573643 /nfs/dbraw/zinc/57/36/43/1128573643.db2.gz NSQKISATHMBHQB-UHFFFAOYSA-N 1 1 342.443 3.559 20 30 EHEDMO N#Cc1ccc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1Cl ZINC000301233103 1128579944 /nfs/dbraw/zinc/57/99/44/1128579944.db2.gz ISGOYRLSNBDEFE-LJQANCHMSA-N 1 1 341.842 3.697 20 30 EHEDMO N#Cc1cc(N2CCC[N@@H+](Cc3ccccc3)CC2)c2ccccc2n1 ZINC000301326208 1128584502 /nfs/dbraw/zinc/58/45/02/1128584502.db2.gz ATPZTFLAIPAZRK-UHFFFAOYSA-N 1 1 342.446 3.819 20 30 EHEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1ncccc1C#N ZINC000301439298 1128591228 /nfs/dbraw/zinc/59/12/28/1128591228.db2.gz TUDHZRSACHHQKB-UHFFFAOYSA-N 1 1 332.407 3.790 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(Cl)c(C#N)n2)C1 ZINC000301584604 1128597513 /nfs/dbraw/zinc/59/75/13/1128597513.db2.gz OMFBUVVSWNGMLR-CABCVRRESA-N 1 1 332.879 3.697 20 30 EHEDMO CC(=O)c1ccc(C#N)c(NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000302026121 1128615575 /nfs/dbraw/zinc/61/55/75/1128615575.db2.gz KVVKTGWRKNDCKX-LJQANCHMSA-N 1 1 337.423 3.993 20 30 EHEDMO C[C@@H]1C[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000301611224 1128598443 /nfs/dbraw/zinc/59/84/43/1128598443.db2.gz DNJGLOVWKFOJJI-PBHICJAKSA-N 1 1 336.395 3.541 20 30 EHEDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000301735571 1128604239 /nfs/dbraw/zinc/60/42/39/1128604239.db2.gz ZQKSJKPWDZAOQZ-ZDUSSCGKSA-N 1 1 348.372 3.770 20 30 EHEDMO C[N@@H+]1CC[C@H](Nc2cccc(F)c2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000301859416 1128608787 /nfs/dbraw/zinc/60/87/87/1128608787.db2.gz BWXXCYOKYRBJSU-ROUUACIJSA-N 1 1 331.341 3.833 20 30 EHEDMO C[N@H+]1CC[C@H](Nc2cccc(F)c2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000301859416 1128608789 /nfs/dbraw/zinc/60/87/89/1128608789.db2.gz BWXXCYOKYRBJSU-ROUUACIJSA-N 1 1 331.341 3.833 20 30 EHEDMO C[N@@H+]1CC[C@@H](Nc2cccc(F)c2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000301859410 1128609035 /nfs/dbraw/zinc/60/90/35/1128609035.db2.gz BWXXCYOKYRBJSU-MSOLQXFVSA-N 1 1 331.341 3.833 20 30 EHEDMO C[N@H+]1CC[C@@H](Nc2cccc(F)c2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000301859410 1128609038 /nfs/dbraw/zinc/60/90/38/1128609038.db2.gz BWXXCYOKYRBJSU-MSOLQXFVSA-N 1 1 331.341 3.833 20 30 EHEDMO C[N@@H+]1CC[C@H](Nc2ncccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301863710 1128609222 /nfs/dbraw/zinc/60/92/22/1128609222.db2.gz UPUBSUSVAIKBDJ-HOTGVXAUSA-N 1 1 330.794 3.603 20 30 EHEDMO C[N@H+]1CC[C@H](Nc2ncccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301863710 1128609224 /nfs/dbraw/zinc/60/92/24/1128609224.db2.gz UPUBSUSVAIKBDJ-HOTGVXAUSA-N 1 1 330.794 3.603 20 30 EHEDMO N#Cc1cccc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000302113334 1128620079 /nfs/dbraw/zinc/62/00/79/1128620079.db2.gz BKMQSUUTEFXYON-YZGWKJHDSA-N 1 1 332.451 3.666 20 30 EHEDMO C[N@H+]1CCC[C@H](CNc2c(C#N)cccc2C#N)[C@@H]1c1cccs1 ZINC000302871647 1128652200 /nfs/dbraw/zinc/65/22/00/1128652200.db2.gz CAHRKCIXVQAYPN-VQIMIIECSA-N 1 1 336.464 3.986 20 30 EHEDMO CC(C)[N@@H+](CC(=O)N[C@H](C)c1cccs1)Cc1ccc(C#N)cc1 ZINC000123210348 1128680917 /nfs/dbraw/zinc/68/09/17/1128680917.db2.gz GSSJMZHNKCCOKD-OAHLLOKOSA-N 1 1 341.480 3.708 20 30 EHEDMO CC[N@@H+](Cc1cc(C)c(C(=O)OC)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000060477309 1128733014 /nfs/dbraw/zinc/73/30/14/1128733014.db2.gz COQDQFGDHOIKMB-AWEZNQCLSA-N 1 1 326.396 3.829 20 30 EHEDMO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000006910472 1128831155 /nfs/dbraw/zinc/83/11/55/1128831155.db2.gz FKKYJWRZSQORSC-UHFFFAOYSA-N 1 1 347.340 3.648 20 30 EHEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000006910472 1128831159 /nfs/dbraw/zinc/83/11/59/1128831159.db2.gz FKKYJWRZSQORSC-UHFFFAOYSA-N 1 1 347.340 3.648 20 30 EHEDMO CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000109016320 1120015320 /nfs/dbraw/zinc/01/53/20/1120015320.db2.gz BKPZRINCSPWOQD-OAQYLSRUSA-N 1 1 347.462 3.684 20 30 EHEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000076067182 1128901066 /nfs/dbraw/zinc/90/10/66/1128901066.db2.gz SYCUFKUMXBRYPW-CVEARBPZSA-N 1 1 342.468 3.714 20 30 EHEDMO Cc1nc(C(=O)Nc2cccc3c2C[N@@H+](CCC(C)C)C3)ccc1C#N ZINC000076171137 1128907105 /nfs/dbraw/zinc/90/71/05/1128907105.db2.gz WPACISZNJRAWET-UHFFFAOYSA-N 1 1 348.450 3.876 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)C[C@H]1CCc2ccccc21 ZINC000595877278 1120362650 /nfs/dbraw/zinc/36/26/50/1120362650.db2.gz IQEWCYHROWFTDB-GOSISDBHSA-N 1 1 333.435 3.549 20 30 EHEDMO C/C(=C\c1ccccc1)C[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000494294478 1120528784 /nfs/dbraw/zinc/52/87/84/1120528784.db2.gz ZTTPPUQOXRGKNT-GHRIWEEISA-N 1 1 333.435 3.922 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCSC[C@H](C)C1 ZINC000190395557 1120636483 /nfs/dbraw/zinc/63/64/83/1120636483.db2.gz WPNJAGWVPIPOEQ-CQSZACIVSA-N 1 1 336.526 3.588 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCSC[C@H](C)C1 ZINC000190395557 1120636488 /nfs/dbraw/zinc/63/64/88/1120636488.db2.gz WPNJAGWVPIPOEQ-CQSZACIVSA-N 1 1 336.526 3.588 20 30 EHEDMO COc1cc(C[N@H+](C)CC#Cc2ccccc2)c(SC)cc1OC ZINC000192038484 1120707131 /nfs/dbraw/zinc/70/71/31/1120707131.db2.gz AFVWDOGUOCJJHP-UHFFFAOYSA-N 1 1 341.476 3.909 20 30 EHEDMO COc1cc(C[N@@H+](C)CC#Cc2ccccc2)c(SC)cc1OC ZINC000192038484 1120707136 /nfs/dbraw/zinc/70/71/36/1120707136.db2.gz AFVWDOGUOCJJHP-UHFFFAOYSA-N 1 1 341.476 3.909 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000494672106 1120717066 /nfs/dbraw/zinc/71/70/66/1120717066.db2.gz GGWSZWATTYGUFR-LJQANCHMSA-N 1 1 341.499 3.573 20 30 EHEDMO C=CCCC[N@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000076801781 1128951665 /nfs/dbraw/zinc/95/16/65/1128951665.db2.gz HKHGJNRQKVBDOS-LJQANCHMSA-N 1 1 346.471 3.991 20 30 EHEDMO Oc1ccc(Cl)cc1/C=N\CCC[N@H+]1CCc2ccccc2C1 ZINC000914702128 1120955907 /nfs/dbraw/zinc/95/59/07/1120955907.db2.gz XDDFGLCIDQTDKS-BKUYFWCQSA-N 1 1 328.843 3.913 20 30 EHEDMO C=CC[C@H]1CCCC[C@@H]1Nc1ncnc2c1cnn2-c1cc[nH+]cc1 ZINC000656472283 1128958184 /nfs/dbraw/zinc/95/81/84/1128958184.db2.gz HCSRUKWYBVPHFQ-YOEHRIQHSA-N 1 1 334.427 3.757 20 30 EHEDMO COc1cccc(O)c1/C=N\Cc1ccccc1C[N@@H+](C)C(C)C ZINC000915271477 1121291720 /nfs/dbraw/zinc/29/17/20/1121291720.db2.gz WTOLRAQHTPPAFP-BKUYFWCQSA-N 1 1 326.440 3.860 20 30 EHEDMO C[C@@H](Cc1cccc(F)c1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC001168494797 1121487575 /nfs/dbraw/zinc/48/75/75/1121487575.db2.gz DCBKFPUDZLRFQP-HNNXBMFYSA-N 1 1 341.405 3.590 20 30 EHEDMO C=C(C)Cn1c(C)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000670207354 1121510167 /nfs/dbraw/zinc/51/01/67/1121510167.db2.gz DRQRZRQWYGBTAV-QGZVFWFLSA-N 1 1 345.535 3.644 20 30 EHEDMO Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000488013375 1121611889 /nfs/dbraw/zinc/61/18/89/1121611889.db2.gz WHOZTOIHPPCHBQ-GCJKJVERSA-N 1 1 333.479 3.867 20 30 EHEDMO Cc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000488013375 1121611894 /nfs/dbraw/zinc/61/18/94/1121611894.db2.gz WHOZTOIHPPCHBQ-GCJKJVERSA-N 1 1 333.479 3.867 20 30 EHEDMO COC1CCC([N@@H+](C)Cc2ccc(C#N)cc2Br)CC1 ZINC000272533171 1121683596 /nfs/dbraw/zinc/68/35/96/1121683596.db2.gz MUKDNWFSBVPWKP-UHFFFAOYSA-N 1 1 337.261 3.710 20 30 EHEDMO N#Cc1cc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000921990625 1129007408 /nfs/dbraw/zinc/00/74/08/1129007408.db2.gz IKJAJYLOXOHCCW-YSIASYRMSA-N 1 1 337.492 3.620 20 30 EHEDMO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)OC1CCCC1 ZINC000763288929 1121943492 /nfs/dbraw/zinc/94/34/92/1121943492.db2.gz PUQWYHYUNHFGSS-AFJQURTJSA-N 1 1 340.467 3.854 20 30 EHEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000496663379 1122145515 /nfs/dbraw/zinc/14/55/15/1122145515.db2.gz WEVGXRKWHJHEMI-YJBOKZPZSA-N 1 1 343.471 3.630 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@@H]1c2ccccc2CC[N@@H+]1CCCCC#N ZINC000496822417 1122192745 /nfs/dbraw/zinc/19/27/45/1122192745.db2.gz VFRHDEUGDVYWEV-GOSISDBHSA-N 1 1 343.471 3.804 20 30 EHEDMO N#Cc1ccc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(F)c1 ZINC000312055211 1129063505 /nfs/dbraw/zinc/06/35/05/1129063505.db2.gz DZVVLDUVYQSORH-TZIWHRDSSA-N 1 1 349.453 3.651 20 30 EHEDMO C=C(C)CNC(=S)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000917601509 1122647235 /nfs/dbraw/zinc/64/72/35/1122647235.db2.gz BADMHBSTHRQWFZ-UHFFFAOYSA-N 1 1 345.556 3.991 20 30 EHEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000498289929 1122843921 /nfs/dbraw/zinc/84/39/21/1122843921.db2.gz DMLJXQVZLZDNHO-RTBURBONSA-N 1 1 342.483 3.692 20 30 EHEDMO CC[C@@H]1CCCCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072682493 1123142252 /nfs/dbraw/zinc/14/22/52/1123142252.db2.gz XPEIYRWAFYXQTM-OAHLLOKOSA-N 1 1 331.485 3.895 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1O ZINC000919939720 1123239584 /nfs/dbraw/zinc/23/95/84/1123239584.db2.gz HKRDOCONKKVVPR-RTBURBONSA-N 1 1 331.456 3.663 20 30 EHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000609384943 1123567640 /nfs/dbraw/zinc/56/76/40/1123567640.db2.gz YJFUHYHOEIDLTI-GJZGRUSLSA-N 1 1 331.485 3.751 20 30 EHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000609384943 1123567642 /nfs/dbraw/zinc/56/76/42/1123567642.db2.gz YJFUHYHOEIDLTI-GJZGRUSLSA-N 1 1 331.485 3.751 20 30 EHEDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135162472 1123588107 /nfs/dbraw/zinc/58/81/07/1123588107.db2.gz OZPQWXMJNCAFQV-GOSISDBHSA-N 1 1 341.499 3.616 20 30 EHEDMO Cc1cccc([C@@H]2CCCCC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000609801250 1123664258 /nfs/dbraw/zinc/66/42/58/1123664258.db2.gz FYSXYFQWKFQRKC-FPOVZHCZSA-N 1 1 339.483 3.721 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000615442825 1123800440 /nfs/dbraw/zinc/80/04/40/1123800440.db2.gz SPNHFAKSHWSUKK-HRAATJIYSA-N 1 1 348.425 3.641 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000245468908 1123842932 /nfs/dbraw/zinc/84/29/32/1123842932.db2.gz UIMXGUGLCYZVBI-RBSFLKMASA-N 1 1 331.485 3.750 20 30 EHEDMO C=CC[N@H+](CCC(=O)Nc1cc(N)ccc1F)Cc1ccccc1F ZINC000081667393 1123871636 /nfs/dbraw/zinc/87/16/36/1123871636.db2.gz BMLGIJQEDYFSSK-UHFFFAOYSA-N 1 1 345.393 3.564 20 30 EHEDMO CC(C)[N@H+]1CCCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000068798719 1124032832 /nfs/dbraw/zinc/03/28/32/1124032832.db2.gz YOWIRUJRWVHMGC-UHFFFAOYSA-N 1 1 347.462 3.782 20 30 EHEDMO CC(C)(C)C[N@@H+](CCCO)Cc1ccc(C#N)cc1Br ZINC000181103400 1124517998 /nfs/dbraw/zinc/51/79/98/1124517998.db2.gz CWRGZIUIUINQGX-UHFFFAOYSA-N 1 1 339.277 3.551 20 30 EHEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SCC#N)[C@@H]2CCCC[C@@H]21 ZINC000248424197 1124661406 /nfs/dbraw/zinc/66/14/06/1124661406.db2.gz NIQQWCROYKTVRF-BFYDXBDKSA-N 1 1 343.496 3.751 20 30 EHEDMO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000249412760 1124754616 /nfs/dbraw/zinc/75/46/16/1124754616.db2.gz FMKHIAHLFDAHHI-BFYDXBDKSA-N 1 1 345.512 3.997 20 30 EHEDMO C=CCC[C@@H](C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000249572866 1124766465 /nfs/dbraw/zinc/76/64/65/1124766465.db2.gz OSLXMNYWJNRWOQ-UYAOXDASSA-N 1 1 328.500 3.973 20 30 EHEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ncc(Br)s1 ZINC000618743051 1125179790 /nfs/dbraw/zinc/17/97/90/1125179790.db2.gz VFEVPETZDULUST-LBPRGKRZSA-N 1 1 334.242 3.554 20 30 EHEDMO C=C(C)COc1cc(CN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)ccc1OC ZINC000093639779 1125279877 /nfs/dbraw/zinc/27/98/77/1125279877.db2.gz KNISSAKXGNUHOB-MJGOQNOKSA-N 1 1 346.515 3.812 20 30 EHEDMO C=C(C)COc1cc(CN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)ccc1OC ZINC000093639779 1125279880 /nfs/dbraw/zinc/27/98/80/1125279880.db2.gz KNISSAKXGNUHOB-MJGOQNOKSA-N 1 1 346.515 3.812 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+](C)[C@H]2CCN(CC)C[C@H]2C)ccc1OC ZINC000093639779 1125279882 /nfs/dbraw/zinc/27/98/82/1125279882.db2.gz KNISSAKXGNUHOB-MJGOQNOKSA-N 1 1 346.515 3.812 20 30 EHEDMO C=C(C)COc1cc(C[N@H+](C)[C@H]2CCN(CC)C[C@H]2C)ccc1OC ZINC000093639779 1125279885 /nfs/dbraw/zinc/27/98/85/1125279885.db2.gz KNISSAKXGNUHOB-MJGOQNOKSA-N 1 1 346.515 3.812 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000619722894 1125389005 /nfs/dbraw/zinc/38/90/05/1125389005.db2.gz VNHVAUXKIAXQQV-LJQANCHMSA-N 1 1 334.467 3.779 20 30 EHEDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619748795 1125400906 /nfs/dbraw/zinc/40/09/06/1125400906.db2.gz PAEREZBKXQQDGY-UHFFFAOYSA-N 1 1 345.786 3.808 20 30 EHEDMO CCSc1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115599501 1129277759 /nfs/dbraw/zinc/27/77/59/1129277759.db2.gz AMVSLWSXDIYEKY-ACJLOTCBSA-N 1 1 339.464 3.547 20 30 EHEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC(C)(C)C1 ZINC000543182372 1129317418 /nfs/dbraw/zinc/31/74/18/1129317418.db2.gz QMMSFEYLLOHYNV-ZDUSSCGKSA-N 1 1 345.512 3.805 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2cccc(C#N)c2)cc1 ZINC000080375745 1129351882 /nfs/dbraw/zinc/35/18/82/1129351882.db2.gz YFYICNVMBAYKKQ-AWEZNQCLSA-N 1 1 345.406 3.935 20 30 EHEDMO C=CC[C@@H](CC)NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000466400117 1129425001 /nfs/dbraw/zinc/42/50/01/1129425001.db2.gz RXTOZLGWTSKFMD-HXUWFJFHSA-N 1 1 343.515 3.691 20 30 EHEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H]3Cc3cccc(F)c3)n2c1 ZINC000092121039 1129533675 /nfs/dbraw/zinc/53/36/75/1129533675.db2.gz MJOAJPRDLFZYDP-SFHVURJKSA-N 1 1 334.398 3.552 20 30 EHEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c1 ZINC000092968852 1129570106 /nfs/dbraw/zinc/57/01/06/1129570106.db2.gz SSPANANSSBDOGN-MRXNPFEDSA-N 1 1 326.421 3.728 20 30 EHEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c1 ZINC000092968852 1129570111 /nfs/dbraw/zinc/57/01/11/1129570111.db2.gz SSPANANSSBDOGN-MRXNPFEDSA-N 1 1 326.421 3.728 20 30 EHEDMO Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2cnc3ccc(C#N)cn23)cc1 ZINC000093008719 1129572383 /nfs/dbraw/zinc/57/23/83/1129572383.db2.gz LWOBDWLMKSGLJL-IBGZPJMESA-N 1 1 330.435 3.722 20 30 EHEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000276271583 1129573770 /nfs/dbraw/zinc/57/37/70/1129573770.db2.gz QDDFIZNQECCYTH-AWEZNQCLSA-N 1 1 339.361 3.550 20 30 EHEDMO N#Cc1csc(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000093594546 1129595277 /nfs/dbraw/zinc/59/52/77/1129595277.db2.gz HJAFKCRYZBEZAP-HNNXBMFYSA-N 1 1 328.412 3.854 20 30 EHEDMO N#Cc1csc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000093594546 1129595281 /nfs/dbraw/zinc/59/52/81/1129595281.db2.gz HJAFKCRYZBEZAP-HNNXBMFYSA-N 1 1 328.412 3.854 20 30 EHEDMO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C#N)cc1 ZINC000390743514 1129631608 /nfs/dbraw/zinc/63/16/08/1129631608.db2.gz SREKEAQEMNLDBV-OAQYLSRUSA-N 1 1 333.479 3.949 20 30 EHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C#N)cc1 ZINC000390743514 1129631609 /nfs/dbraw/zinc/63/16/09/1129631609.db2.gz SREKEAQEMNLDBV-OAQYLSRUSA-N 1 1 333.479 3.949 20 30 EHEDMO C=CCOc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)cc1OC ZINC000155393031 1129634338 /nfs/dbraw/zinc/63/43/38/1129634338.db2.gz AEYOLZNRRAKRPD-UHFFFAOYSA-N 1 1 340.398 3.903 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1OC ZINC000155393031 1129634341 /nfs/dbraw/zinc/63/43/41/1129634341.db2.gz AEYOLZNRRAKRPD-UHFFFAOYSA-N 1 1 340.398 3.903 20 30 EHEDMO Cc1ccnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1C#N ZINC000390913250 1129641042 /nfs/dbraw/zinc/64/10/42/1129641042.db2.gz YNTYRBXFYSYYGV-LJQANCHMSA-N 1 1 334.467 3.974 20 30 EHEDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000156616991 1129728824 /nfs/dbraw/zinc/72/88/24/1129728824.db2.gz FFZYQCVMTCXCPW-LJQANCHMSA-N 1 1 347.462 3.525 20 30 EHEDMO C=CC[N@@H+](Cc1cnn(CC(F)(F)F)c1)Cc1cccc(C#N)c1 ZINC000352754786 1129909081 /nfs/dbraw/zinc/90/90/81/1129909081.db2.gz JVULHHKYXFVYSX-UHFFFAOYSA-N 1 1 334.345 3.505 20 30 EHEDMO C=CC[N@H+](Cc1cnn(CC(F)(F)F)c1)Cc1cccc(C#N)c1 ZINC000352754786 1129909084 /nfs/dbraw/zinc/90/90/84/1129909084.db2.gz JVULHHKYXFVYSX-UHFFFAOYSA-N 1 1 334.345 3.505 20 30 EHEDMO CC(C)([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1F ZINC000429237176 1130167981 /nfs/dbraw/zinc/16/79/81/1130167981.db2.gz KHTOVOIEFRFGAJ-UHFFFAOYSA-N 1 1 345.805 3.814 20 30 EHEDMO C=CC[NH+](CC=C)CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000674709390 1130180013 /nfs/dbraw/zinc/18/00/13/1130180013.db2.gz JXSFVLBCJGUXBU-NRFANRHFSA-N 1 1 334.463 3.761 20 30 EHEDMO CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000173873077 1130321003 /nfs/dbraw/zinc/32/10/03/1130321003.db2.gz FJRDEPHKTAZXET-OAQYLSRUSA-N 1 1 347.462 3.571 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000174054854 1130333901 /nfs/dbraw/zinc/33/39/01/1130333901.db2.gz NOBPRIZWUPSGBN-OAHLLOKOSA-N 1 1 347.418 3.634 20 30 EHEDMO CC[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174485836 1130362781 /nfs/dbraw/zinc/36/27/81/1130362781.db2.gz OBVFSEMJSABTCA-QFIPXVFZSA-N 1 1 333.479 3.902 20 30 EHEDMO CC[NH+](Cc1cccc(C#N)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174485836 1130362786 /nfs/dbraw/zinc/36/27/86/1130362786.db2.gz OBVFSEMJSABTCA-QFIPXVFZSA-N 1 1 333.479 3.902 20 30 EHEDMO CC[NH+](Cc1cccc(C#N)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174485836 1130362791 /nfs/dbraw/zinc/36/27/91/1130362791.db2.gz OBVFSEMJSABTCA-QFIPXVFZSA-N 1 1 333.479 3.902 20 30 EHEDMO CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000174485836 1130362796 /nfs/dbraw/zinc/36/27/96/1130362796.db2.gz OBVFSEMJSABTCA-QFIPXVFZSA-N 1 1 333.479 3.902 20 30 EHEDMO CC[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000174485836 1130362801 /nfs/dbraw/zinc/36/28/01/1130362801.db2.gz OBVFSEMJSABTCA-QFIPXVFZSA-N 1 1 333.479 3.902 20 30 EHEDMO CCN(Cc1cccc(C#N)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174485836 1130362806 /nfs/dbraw/zinc/36/28/06/1130362806.db2.gz OBVFSEMJSABTCA-QFIPXVFZSA-N 1 1 333.479 3.902 20 30 EHEDMO CCN(Cc1cccc(C#N)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174485836 1130362811 /nfs/dbraw/zinc/36/28/11/1130362811.db2.gz OBVFSEMJSABTCA-QFIPXVFZSA-N 1 1 333.479 3.902 20 30 EHEDMO COc1cccc(O)c1/C=N/C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000731488974 1130802864 /nfs/dbraw/zinc/80/28/64/1130802864.db2.gz XYLMLXHWCDZMPF-AQRZYSDFSA-N 1 1 330.472 3.864 20 30 EHEDMO C=CCOCCC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000348042142 1131135079 /nfs/dbraw/zinc/13/50/79/1131135079.db2.gz YZHKRDYURNWJAJ-LBPRGKRZSA-N 1 1 334.407 3.934 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000734158843 1131205068 /nfs/dbraw/zinc/20/50/68/1131205068.db2.gz LZTOSEJQWJNIOY-UONOGXRCSA-N 1 1 331.485 3.760 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1nncc2ccccc21 ZINC000734363151 1131225008 /nfs/dbraw/zinc/22/50/08/1131225008.db2.gz VNLCQWMEAOEPSG-INIZCTEOSA-N 1 1 345.450 3.940 20 30 EHEDMO C=CCCOC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000740247257 1131522890 /nfs/dbraw/zinc/52/28/90/1131522890.db2.gz BQEHNSJUKNULDN-INIZCTEOSA-N 1 1 327.346 3.560 20 30 EHEDMO COc1ccc(CNC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1C#N ZINC000742370222 1131716320 /nfs/dbraw/zinc/71/63/20/1131716320.db2.gz XCLITASYYMRFCU-HXUWFJFHSA-N 1 1 341.499 3.701 20 30 EHEDMO C[C@@H](CCCC#N)[N@@H+]1Cc2ncn(C)c2[C@H](COCC2CCCC2)C1 ZINC001172495252 1131758636 /nfs/dbraw/zinc/75/86/36/1131758636.db2.gz CNXYBKZLMCOBBN-WMZOPIPTSA-N 1 1 344.503 3.608 20 30 EHEDMO Cc1cccc(N2CCC[C@]3(C2)C[N@@H+]([C@@H](C)CCCC#N)CCO3)c1 ZINC001172495668 1131759148 /nfs/dbraw/zinc/75/91/48/1131759148.db2.gz SLHCCUWWFLIGJD-PZJWPPBQSA-N 1 1 341.499 3.749 20 30 EHEDMO C[C@@H](CCCC#N)[N@H+]1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC001172500208 1131759911 /nfs/dbraw/zinc/75/99/11/1131759911.db2.gz KNDWVNBGNIEUGU-AWEZNQCLSA-N 1 1 340.393 3.695 20 30 EHEDMO CCCCCCCC[C@H](CC)[NH+]1CC2(C1)[C@H](CF)CCS2(=O)=O ZINC001172505072 1131762257 /nfs/dbraw/zinc/76/22/57/1131762257.db2.gz JMPXAJRTOSQZBB-IRXDYDNUSA-N 1 1 347.540 3.974 20 30 EHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H](N(C(=O)OC(C)(C)C)C2CC2)C1 ZINC001172509380 1131763371 /nfs/dbraw/zinc/76/33/71/1131763371.db2.gz KSLVMTHKAUOJRG-WBVHZDCISA-N 1 1 335.492 3.933 20 30 EHEDMO N#Cc1cc([N+](=O)[O-])cnc1Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000742898206 1131813974 /nfs/dbraw/zinc/81/39/74/1131813974.db2.gz AHAFXGYAMBXGIG-UHFFFAOYSA-N 1 1 348.366 3.681 20 30 EHEDMO COc1cccc(/C=N/[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1O ZINC000743044544 1131842397 /nfs/dbraw/zinc/84/23/97/1131842397.db2.gz LDMJHBBIWIIPTB-NIZGNDASSA-N 1 1 335.407 3.537 20 30 EHEDMO CCOc1ccc(O)c(/C=N\[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000743044119 1131842761 /nfs/dbraw/zinc/84/27/61/1131842761.db2.gz FQQCJGDCPRGEEW-MIDMBNTASA-N 1 1 349.434 3.927 20 30 EHEDMO N#CC1CC[NH+](Cn2ncc3cc(OCc4ccccc4)ccc32)CC1 ZINC000743356875 1131899154 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C#CCn1ccc(C[N@H+](CCOC)[C@@H](C)c2cccc3ccccc32)n1 ZINC000789320767 1134255884 /nfs/dbraw/zinc/25/58/84/1134255884.db2.gz FWBRYSWQOXOYSO-SFHVURJKSA-N 1 1 347.462 3.879 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(Br)cc2C)n1 ZINC000789332663 1134258292 /nfs/dbraw/zinc/25/82/92/1134258292.db2.gz VJECUWIARXBLPO-UHFFFAOYSA-N 1 1 346.272 3.609 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(Br)cc2C)n1 ZINC000789332663 1134258298 /nfs/dbraw/zinc/25/82/98/1134258298.db2.gz VJECUWIARXBLPO-UHFFFAOYSA-N 1 1 346.272 3.609 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OC)c3ccccc23)n1 ZINC000789761426 1134327830 /nfs/dbraw/zinc/32/78/30/1134327830.db2.gz DFQLYCYUQZWESP-UHFFFAOYSA-N 1 1 333.435 3.700 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OC)c3ccccc23)n1 ZINC000789761426 1134327836 /nfs/dbraw/zinc/32/78/36/1134327836.db2.gz DFQLYCYUQZWESP-UHFFFAOYSA-N 1 1 333.435 3.700 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@]2(C)CCC[N@H+](C)C2)c1 ZINC001189284785 1134561016 /nfs/dbraw/zinc/56/10/16/1134561016.db2.gz 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C=CC[N@@H+](CCc1ccccc1)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC001190708217 1134735110 /nfs/dbraw/zinc/73/51/10/1134735110.db2.gz SBLRGWIFGUNTFT-OAHLLOKOSA-N 1 1 343.858 3.793 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC001190708217 1134735118 /nfs/dbraw/zinc/73/51/18/1134735118.db2.gz SBLRGWIFGUNTFT-OAHLLOKOSA-N 1 1 343.858 3.793 20 30 EHEDMO C[C@@H]1C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CCC[C@@]1(C)O ZINC001170379136 1134767359 /nfs/dbraw/zinc/76/73/59/1134767359.db2.gz RFSBFZUTHGCQJP-MAKTXDPSSA-N 1 1 326.484 3.873 20 30 EHEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001191005472 1134778464 /nfs/dbraw/zinc/77/84/64/1134778464.db2.gz TWNJFKGESBIRRO-LIRRHRJNSA-N 1 1 328.843 3.808 20 30 EHEDMO C[C@@H]1CCC[N@@H+](CC2CCC(C#N)CC2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001191375972 1134860117 /nfs/dbraw/zinc/86/01/17/1134860117.db2.gz ZYSAIJZFGDDZMZ-AQEOSJORSA-N 1 1 349.519 3.942 20 30 EHEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 ZINC001191928514 1134943293 /nfs/dbraw/zinc/94/32/93/1134943293.db2.gz KGGVKISVCZSRKO-KNQAVFIVSA-N 1 1 345.446 3.953 20 30 EHEDMO COc1cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)ccc1C#N ZINC000793618585 1134973399 /nfs/dbraw/zinc/97/33/99/1134973399.db2.gz VJGFDJCQJGAYPJ-LSDHHAIUSA-N 1 1 325.239 3.583 20 30 EHEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2Br)C1 ZINC001192501863 1135024285 /nfs/dbraw/zinc/02/42/85/1135024285.db2.gz RAGIZBWCVDISKV-GFCCVEGCSA-N 1 1 330.653 3.879 20 30 EHEDMO C=CCO[C@@H]1CC[N@H+](Cc2cccc(Cl)c2Br)C1 ZINC001192501863 1135024289 /nfs/dbraw/zinc/02/42/89/1135024289.db2.gz RAGIZBWCVDISKV-GFCCVEGCSA-N 1 1 330.653 3.879 20 30 EHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000794392980 1135047587 /nfs/dbraw/zinc/04/75/87/1135047587.db2.gz MDHDFDBNAGSPMT-PBHICJAKSA-N 1 1 330.428 3.847 20 30 EHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000794392980 1135047593 /nfs/dbraw/zinc/04/75/93/1135047593.db2.gz MDHDFDBNAGSPMT-PBHICJAKSA-N 1 1 330.428 3.847 20 30 EHEDMO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001193281098 1135122049 /nfs/dbraw/zinc/12/20/49/1135122049.db2.gz CNCJMEPXVHOUNO-SFHVURJKSA-N 1 1 343.471 3.780 20 30 EHEDMO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001193281098 1135122053 /nfs/dbraw/zinc/12/20/53/1135122053.db2.gz CNCJMEPXVHOUNO-SFHVURJKSA-N 1 1 343.471 3.780 20 30 EHEDMO Cc1ccc(C[N@H+](C[C@H](O)COc2ccccc2)C(C)C)cc1C#N ZINC001193881156 1135192634 /nfs/dbraw/zinc/19/26/34/1135192634.db2.gz MNLFQKNALHJXSJ-FQEVSTJZSA-N 1 1 338.451 3.517 20 30 EHEDMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000805764731 1135330762 /nfs/dbraw/zinc/33/07/62/1135330762.db2.gz DYNWMYVNBJQZKD-IBGZPJMESA-N 1 1 342.483 3.807 20 30 EHEDMO COc1ccc([C@H]2[C@@H](COC(=O)CCCCCC#N)CC[N@H+]2C)cc1 ZINC000805884314 1135351474 /nfs/dbraw/zinc/35/14/74/1135351474.db2.gz RPUORGBSVYSHQN-XLIONFOSSA-N 1 1 344.455 3.705 20 30 EHEDMO Cc1ccc(C[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]2C)cc1C#N ZINC001195287642 1135406885 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EHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](N(C)CCc2ccccc2)C1 ZINC001195904326 1135488489 /nfs/dbraw/zinc/48/84/89/1135488489.db2.gz ZBPIQZRCOPIXFU-QFIPXVFZSA-N 1 1 333.479 3.616 20 30 EHEDMO C=CC[C@H]1CCC[N@H+](CC(=O)NCc2ccccc2COCCC)C1 ZINC001195946800 1135498827 /nfs/dbraw/zinc/49/88/27/1135498827.db2.gz NVYBJVGAGJJJCC-SFHVURJKSA-N 1 1 344.499 3.518 20 30 EHEDMO CCN(C(=O)C#Cc1ccccc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000747367338 1135512302 /nfs/dbraw/zinc/51/23/02/1135512302.db2.gz CDLTXCUCBMSVSA-UGKGYDQZSA-N 1 1 346.474 3.722 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C(F)F)C2)c(Br)c1 ZINC001137638155 1135539009 /nfs/dbraw/zinc/53/90/09/1135539009.db2.gz TXCCQQDUXAZJPL-GFCCVEGCSA-N 1 1 329.188 3.798 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(F)F)C2)c(Br)c1 ZINC001137638155 1135539013 /nfs/dbraw/zinc/53/90/13/1135539013.db2.gz TXCCQQDUXAZJPL-GFCCVEGCSA-N 1 1 329.188 3.798 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@@H+](C)CCOc2ccc(F)cc2)cc1 ZINC000121476660 1135614686 /nfs/dbraw/zinc/61/46/86/1135614686.db2.gz MWKFXCMDQVMSKR-UHFFFAOYSA-N 1 1 341.430 3.686 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@]3(CCCOC3)C2)c1O ZINC000747472286 1135640044 /nfs/dbraw/zinc/64/00/44/1135640044.db2.gz JWCHHZQYFQGFOS-NRFANRHFSA-N 1 1 345.483 3.912 20 30 EHEDMO C#CCOCC[N@@H+]1CCC[C@]1(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001197068874 1135647026 /nfs/dbraw/zinc/64/70/26/1135647026.db2.gz DUUAYWULMIEXPM-QGZVFWFLSA-N 1 1 343.364 3.891 20 30 EHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000794429836 1135716522 /nfs/dbraw/zinc/71/65/22/1135716522.db2.gz CQFZALQAVWERBS-YLJYHZDGSA-N 1 1 342.389 3.925 20 30 EHEDMO Cc1ccc(NC(=S)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)cc1 ZINC001197900404 1135747949 /nfs/dbraw/zinc/74/79/49/1135747949.db2.gz WJHWPWYGBIEYQP-UHFFFAOYSA-N 1 1 342.493 3.725 20 30 EHEDMO Cc1ccc(NC(=S)Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1 ZINC001197900404 1135747952 /nfs/dbraw/zinc/74/79/52/1135747952.db2.gz WJHWPWYGBIEYQP-UHFFFAOYSA-N 1 1 342.493 3.725 20 30 EHEDMO C=CCC[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC001198406064 1135811189 /nfs/dbraw/zinc/81/11/89/1135811189.db2.gz FHIFKEFTCYEQTJ-AWEZNQCLSA-N 1 1 343.496 3.868 20 30 EHEDMO C#Cc1ccc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1 ZINC000809576832 1135852673 /nfs/dbraw/zinc/85/26/73/1135852673.db2.gz GVUVEQLSUCCUKZ-LJQANCHMSA-N 1 1 338.838 3.559 20 30 EHEDMO C#Cc1ccc(C[N@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1 ZINC000809576832 1135852676 /nfs/dbraw/zinc/85/26/76/1135852676.db2.gz GVUVEQLSUCCUKZ-LJQANCHMSA-N 1 1 338.838 3.559 20 30 EHEDMO CC(C)C[N@@H+](Cc1cnc([C@H](C)O)s1)Cc1ccc(C#N)cc1 ZINC000809549698 1135855524 /nfs/dbraw/zinc/85/55/24/1135855524.db2.gz ZVRCQVSMWISCIH-AWEZNQCLSA-N 1 1 329.469 3.726 20 30 EHEDMO C#CCOc1ccc(C[N@H+](Cc2ccccc2)C2CCN(C)CC2)cc1 ZINC000809765863 1135888488 /nfs/dbraw/zinc/88/84/88/1135888488.db2.gz PPRIDOAYRQRZHP-UHFFFAOYSA-N 1 1 348.490 3.795 20 30 EHEDMO C#CCOc1ccc(CN(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000809765863 1135888493 /nfs/dbraw/zinc/88/84/93/1135888493.db2.gz PPRIDOAYRQRZHP-UHFFFAOYSA-N 1 1 348.490 3.795 20 30 EHEDMO C=CCOc1ccc(CNC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC001199295594 1135893443 /nfs/dbraw/zinc/89/34/43/1135893443.db2.gz KLDOROCCVZVZNJ-DLBZAZTESA-N 1 1 332.488 3.613 20 30 EHEDMO C=CCOc1ccc(CNC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1OC ZINC001199295594 1135893445 /nfs/dbraw/zinc/89/34/45/1135893445.db2.gz KLDOROCCVZVZNJ-DLBZAZTESA-N 1 1 332.488 3.613 20 30 EHEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810073740 1135918569 /nfs/dbraw/zinc/91/85/69/1135918569.db2.gz CHJDEZQZPUEGRZ-UHFFFAOYSA-N 1 1 343.471 3.539 20 30 EHEDMO C[C@H](O)c1ccc(C[NH2+]Cc2cc(C#N)ccc2Br)cc1 ZINC001199732859 1135924278 /nfs/dbraw/zinc/92/42/78/1135924278.db2.gz TZBWHHMAWKZQBA-LBPRGKRZSA-N 1 1 345.240 3.664 20 30 EHEDMO C=CCC(CC=C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001132084774 1135927874 /nfs/dbraw/zinc/92/78/74/1135927874.db2.gz BXPRDOJCWHYVKK-FXAWDEMLSA-N 1 1 326.484 3.639 20 30 EHEDMO C#Cc1ccccc1CC(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000810659251 1135994718 /nfs/dbraw/zinc/99/47/18/1135994718.db2.gz OOAISTDQBXEQED-UHFFFAOYSA-N 1 1 332.447 3.821 20 30 EHEDMO N#Cc1cc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1O ZINC001201478154 1136032652 /nfs/dbraw/zinc/03/26/52/1136032652.db2.gz YMNWGQNUTWTJAE-UXHICEINSA-N 1 1 331.419 3.997 20 30 EHEDMO Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1C#N ZINC001132594099 1136042356 /nfs/dbraw/zinc/04/23/56/1136042356.db2.gz LEBCNGIIOPQUCQ-OAQYLSRUSA-N 1 1 347.462 3.651 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CCCc1ccccc1)CC2 ZINC001201659644 1136053245 /nfs/dbraw/zinc/05/32/45/1136053245.db2.gz BESSCIFBSAMDTR-NRFANRHFSA-N 1 1 326.484 3.652 20 30 EHEDMO CC[NH+](CC)[C@@H](C(=O)OCc1ccc(CC#N)cc1)c1ccccc1 ZINC000776214915 1136063613 /nfs/dbraw/zinc/06/36/13/1136063613.db2.gz UARZKZFMOKEZNO-HXUWFJFHSA-N 1 1 336.435 3.879 20 30 EHEDMO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1CCCCCCCC ZINC001201813885 1136065026 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C=CCOC(=O)[C@@H]([NH2+][C@H]1CCc2cc(F)c(F)cc2C1)[C@@H](C)CC ZINC001171452477 1137489630 /nfs/dbraw/zinc/48/96/30/1137489630.db2.gz HCBWTKLRZIKDOA-QITLCBANSA-N 1 1 337.410 3.556 20 30 EHEDMO C[C@@H]1C[C@H](NC2(c3ccc(C#N)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171733669 1137506533 /nfs/dbraw/zinc/50/65/33/1137506533.db2.gz XOIYQTZIBADCIA-UTKZUKDTSA-N 1 1 331.463 3.800 20 30 EHEDMO C[C@@H]1C[C@H](NC2(c3ccc(C#N)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171733669 1137506534 /nfs/dbraw/zinc/50/65/34/1137506534.db2.gz XOIYQTZIBADCIA-UTKZUKDTSA-N 1 1 331.463 3.800 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171893930 1137517130 /nfs/dbraw/zinc/51/71/30/1137517130.db2.gz ACUCBBGHMJVYLS-NRFANRHFSA-N 1 1 347.462 3.685 20 30 EHEDMO CCOC(=O)[C@@]1(F)C[N@H+](CCC2(C#N)CCCCC2)CC12CCC2 ZINC001171905935 1137517765 /nfs/dbraw/zinc/51/77/65/1137517765.db2.gz DLSIOVUGIXUDST-IBGZPJMESA-N 1 1 336.451 3.608 20 30 EHEDMO CCOC(=O)[C@@]1(F)C[N@@H+](CCC2(C#N)CCCCC2)CC12CCC2 ZINC001171905935 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XEPKEROKYZIGEX-FUMNGEBKSA-N 1 1 339.520 3.654 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@H+]1C[C@@H]2COC[C@]2(c2nc(C)no2)C1 ZINC001172354350 1137553999 /nfs/dbraw/zinc/55/39/99/1137553999.db2.gz GXTNBEVKNZRUMS-ZHALLVOQSA-N 1 1 335.492 3.717 20 30 EHEDMO C=CCOC[C@@H]1C[N@@H+]([C@H](CC)CC(C)C)Cc2nnn(CC3CC3)c21 ZINC001172402911 1137555231 /nfs/dbraw/zinc/55/52/31/1137555231.db2.gz PMZRCUNOUASRTG-ZWKOTPCHSA-N 1 1 346.519 3.615 20 30 EHEDMO C=CCOC[C@@H]1C[N@H+]([C@H](CC)CC(C)C)Cc2nnn(CC3CC3)c21 ZINC001172402911 1137555233 /nfs/dbraw/zinc/55/52/33/1137555233.db2.gz PMZRCUNOUASRTG-ZWKOTPCHSA-N 1 1 346.519 3.615 20 30 EHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(OC(C)C)c(OC)c2)no1 ZINC000872172489 1137575224 /nfs/dbraw/zinc/57/52/24/1137575224.db2.gz IHITYVLKHFYHEE-GFCCVEGCSA-N 1 1 337.807 3.675 20 30 EHEDMO CC(=[NH+]NC[C@@H]1CCCC1(F)F)c1ccc(N2CCCC2)cc1O ZINC000872404801 1137579370 /nfs/dbraw/zinc/57/93/70/1137579370.db2.gz DAUVMDIMPKITCF-AWEZNQCLSA-N 1 1 337.414 3.741 20 30 EHEDMO C=CCc1cc(C[N@H+](C)Cc2c(C)nn(CC)c2C)c(O)c(OC)c1 ZINC000872632493 1137582068 /nfs/dbraw/zinc/58/20/68/1137582068.db2.gz UPEIEGJCLUXYGZ-UHFFFAOYSA-N 1 1 343.471 3.595 20 30 EHEDMO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876691358 1137659195 /nfs/dbraw/zinc/65/91/95/1137659195.db2.gz BYUXUKQUFDWEIF-CYBMUJFWSA-N 1 1 329.831 3.678 20 30 EHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876691358 1137659196 /nfs/dbraw/zinc/65/91/96/1137659196.db2.gz BYUXUKQUFDWEIF-CYBMUJFWSA-N 1 1 329.831 3.678 20 30 EHEDMO CC(C)[C@H](CO)[N@H+](Cc1ccccc1)Cc1cc(C#N)cnc1Cl ZINC000876748332 1137660298 /nfs/dbraw/zinc/66/02/98/1137660298.db2.gz BLCRHEVIYBGYGU-SFHVURJKSA-N 1 1 343.858 3.626 20 30 EHEDMO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)Cc1cc(C#N)cnc1Cl ZINC000876748332 1137660299 /nfs/dbraw/zinc/66/02/99/1137660299.db2.gz BLCRHEVIYBGYGU-SFHVURJKSA-N 1 1 343.858 3.626 20 30 EHEDMO CCN(CC)[C@@H](C[NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1 ZINC000876884004 1137664550 /nfs/dbraw/zinc/66/45/50/1137664550.db2.gz FJPUWXGOKVWHLF-SFHVURJKSA-N 1 1 342.874 3.779 20 30 EHEDMO CC(C)OCc1ccccc1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876913036 1137665171 /nfs/dbraw/zinc/66/51/71/1137665171.db2.gz NQZXLNTWZZVUJI-UHFFFAOYSA-N 1 1 329.831 3.821 20 30 EHEDMO CCCOCc1ccccc1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876944057 1137665842 /nfs/dbraw/zinc/66/58/42/1137665842.db2.gz XBBDPXKQSOFUFH-UHFFFAOYSA-N 1 1 329.831 3.823 20 30 EHEDMO C=C(Br)CN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877020095 1137667809 /nfs/dbraw/zinc/66/78/09/1137667809.db2.gz KPHJNRDVWUPYHT-RDJZCZTQSA-N 1 1 335.289 3.853 20 30 EHEDMO CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1cc(C#N)cnc1Cl ZINC000877465586 1137677175 /nfs/dbraw/zinc/67/71/75/1137677175.db2.gz YBYRWAIPTMNQOK-LJQANCHMSA-N 1 1 343.858 3.770 20 30 EHEDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(C#N)cnc1Cl ZINC000877465586 1137677176 /nfs/dbraw/zinc/67/71/76/1137677176.db2.gz YBYRWAIPTMNQOK-LJQANCHMSA-N 1 1 343.858 3.770 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000877572329 1137681828 /nfs/dbraw/zinc/68/18/28/1137681828.db2.gz PKUOIKITCHWCPU-SQNIBIBYSA-N 1 1 349.519 3.895 20 30 EHEDMO COc1ccc(C(C)(C)[NH2+]Cc2cc(C#N)cnc2Cl)cc1F ZINC000877653664 1137684454 /nfs/dbraw/zinc/68/44/54/1137684454.db2.gz ASYFJHZFGKBWAV-UHFFFAOYSA-N 1 1 333.794 3.779 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+](Cc1ccc(C)o1)C1CC1)c1ccccc1 ZINC000877970129 1137697603 /nfs/dbraw/zinc/69/76/03/1137697603.db2.gz JAEQCVSFJFTUFL-OAQYLSRUSA-N 1 1 336.435 3.993 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@@H+](Cc1ccc(C)o1)C1CC1)c1ccccc1 ZINC000877970129 1137697604 /nfs/dbraw/zinc/69/76/04/1137697604.db2.gz JAEQCVSFJFTUFL-OAQYLSRUSA-N 1 1 336.435 3.993 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@@H+](C)CCc1ccc(F)cc1)c1ccccc1 ZINC000877991367 1137698766 /nfs/dbraw/zinc/69/87/66/1137698766.db2.gz JBZBGLOZIWSWBV-OAQYLSRUSA-N 1 1 338.426 3.741 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCCC[C@@H]1c1cccn1C)c1ccccc1 ZINC000878157467 1137705012 /nfs/dbraw/zinc/70/50/12/1137705012.db2.gz GBGCBQVLTJIQDS-YADHBBJMSA-N 1 1 349.478 3.993 20 30 EHEDMO CS[C@H]1CCCC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878287025 1137709986 /nfs/dbraw/zinc/70/99/86/1137709986.db2.gz PPVRFTRHPGZCLN-OALUTQOASA-N 1 1 330.497 3.645 20 30 EHEDMO C=CC[N@@H+](CCc1ccco1)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878385669 1137713724 /nfs/dbraw/zinc/71/37/24/1137713724.db2.gz DKFQENFKAVGTGF-OAQYLSRUSA-N 1 1 336.435 3.751 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878385669 1137713725 /nfs/dbraw/zinc/71/37/25/1137713725.db2.gz DKFQENFKAVGTGF-OAQYLSRUSA-N 1 1 336.435 3.751 20 30 EHEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000878388289 1137713876 /nfs/dbraw/zinc/71/38/76/1137713876.db2.gz LLTFMHCOCIDRLL-DOTOQJQBSA-N 1 1 338.455 3.806 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@@H](Oc2ccccc2)C1)c1ccccc1 ZINC000878994780 1137734470 /nfs/dbraw/zinc/73/44/70/1137734470.db2.gz ZUPURARIKOLXHZ-YADHBBJMSA-N 1 1 348.446 3.580 20 30 EHEDMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3C(C)(C)C#N)CCN2)cc1 ZINC000879521218 1137749823 /nfs/dbraw/zinc/74/98/23/1137749823.db2.gz LMLZHSQDOGAZAY-NRFANRHFSA-N 1 1 349.478 3.643 20 30 EHEDMO COc1ccc([C@@H]2CN(Cc3ccccc3C(C)(C)C#N)CC[NH2+]2)cc1 ZINC000879521218 1137749824 /nfs/dbraw/zinc/74/98/24/1137749824.db2.gz LMLZHSQDOGAZAY-NRFANRHFSA-N 1 1 349.478 3.643 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879726954 1137756580 /nfs/dbraw/zinc/75/65/80/1137756580.db2.gz UPLNEEKOOLVKRS-UHFFFAOYSA-N 1 1 335.407 3.559 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@@](C)(C(F)(F)F)C1)c1ccccc1 ZINC000880005454 1137764684 /nfs/dbraw/zinc/76/46/84/1137764684.db2.gz XQNDFSQRZOLOFQ-SJORKVTESA-N 1 1 338.373 3.701 20 30 EHEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880078812 1137767462 /nfs/dbraw/zinc/76/74/62/1137767462.db2.gz CIHGHEVTCCNGTB-QGZVFWFLSA-N 1 1 329.444 3.664 20 30 EHEDMO COc1cccc([C@H]2CC[N@@H+](Cc3nc(C#N)cs3)C2(C)C)c1 ZINC000880285360 1137773273 /nfs/dbraw/zinc/77/32/73/1137773273.db2.gz JWGOPEDTZJYHNO-MRXNPFEDSA-N 1 1 327.453 3.791 20 30 EHEDMO C=CCCn1cc(C[N@@H+]2CCCSC[C@@H]2c2ccccc2)nn1 ZINC000880390336 1137777573 /nfs/dbraw/zinc/77/75/73/1137777573.db2.gz YTELNMRNYDDWGG-GOSISDBHSA-N 1 1 328.485 3.534 20 30 EHEDMO C=CCCn1cc(C[N@H+]2CCCSC[C@@H]2c2ccccc2)nn1 ZINC000880390336 1137777574 /nfs/dbraw/zinc/77/75/74/1137777574.db2.gz YTELNMRNYDDWGG-GOSISDBHSA-N 1 1 328.485 3.534 20 30 EHEDMO N#CC1(CCC[N@H+]2CCCC[C@H](C3CCOCC3)C2)CCOCC1 ZINC000880578093 1137781769 /nfs/dbraw/zinc/78/17/69/1137781769.db2.gz MDEAGVOUCXTVTI-IBGZPJMESA-N 1 1 334.504 3.616 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000131073611 1137846005 /nfs/dbraw/zinc/84/60/05/1137846005.db2.gz AMKHDOBENZDRGW-IBGZPJMESA-N 1 1 335.455 3.737 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CC[C@@H](C)C2)c1C ZINC000429561695 1137885792 /nfs/dbraw/zinc/88/57/92/1137885792.db2.gz SENFHBDTUXGTMR-CRAIPNDOSA-N 1 1 327.472 3.671 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000108355930 1137889254 /nfs/dbraw/zinc/88/92/54/1137889254.db2.gz SFUJTMGMOPCHGP-OAHLLOKOSA-N 1 1 331.485 3.751 20 30 EHEDMO COc1ccc(C[NH2+]C(C)(C)c2nccs2)cc1OCCCC#N ZINC000116381323 1137925675 /nfs/dbraw/zinc/92/56/75/1137925675.db2.gz CCLFWQVQTNLKKQ-UHFFFAOYSA-N 1 1 345.468 3.859 20 30 EHEDMO Cc1ccccc1[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000332301354 1137938894 /nfs/dbraw/zinc/93/88/94/1137938894.db2.gz HUTTYOGKPHZRGN-QZTJIDSGSA-N 1 1 339.483 3.516 20 30 EHEDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000119924975 1137945334 /nfs/dbraw/zinc/94/53/34/1137945334.db2.gz APCLLJPWXCGLGR-ZWKOTPCHSA-N 1 1 340.471 3.578 20 30 EHEDMO COc1cccc(C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]2CCCO2)c1 ZINC000120276324 1137948043 /nfs/dbraw/zinc/94/80/43/1137948043.db2.gz YDCLULNFMIHEKF-KRWDZBQOSA-N 1 1 342.464 3.810 20 30 EHEDMO COc1cccc(C[N@H+](Cc2ccc(C#N)s2)C[C@@H]2CCCO2)c1 ZINC000120276324 1137948044 /nfs/dbraw/zinc/94/80/44/1137948044.db2.gz YDCLULNFMIHEKF-KRWDZBQOSA-N 1 1 342.464 3.810 20 30 EHEDMO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(Cl)cn2)ccc1OC ZINC000885981629 1138030317 /nfs/dbraw/zinc/03/03/17/1138030317.db2.gz KDTFHRUXPPYCTO-INIZCTEOSA-N 1 1 345.830 3.714 20 30 EHEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@H](CSc3ccccc3)C2)CCC1 ZINC000886023488 1138033059 /nfs/dbraw/zinc/03/30/59/1138033059.db2.gz QLMJLRCXNRULOS-DLBZAZTESA-N 1 1 330.497 3.545 20 30 EHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCc3oc(-c4ccccc4)cc3C2)CCC1 ZINC000886267205 1138062880 /nfs/dbraw/zinc/06/28/80/1138062880.db2.gz IGBLUESUFDRXHB-GOSISDBHSA-N 1 1 336.435 3.750 20 30 EHEDMO CC[C@H](C)[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000060471698 1138066796 /nfs/dbraw/zinc/06/67/96/1138066796.db2.gz MMGSCZQRCGTHHL-AWEZNQCLSA-N 1 1 327.453 3.859 20 30 EHEDMO COc1cccc([C@H]2CC[N@@H+](C[C@H](O)CC3(C#N)CCC3)C2(C)C)c1 ZINC000886316828 1138066870 /nfs/dbraw/zinc/06/68/70/1138066870.db2.gz OAVFUPGNYWXOKX-IEBWSBKVSA-N 1 1 342.483 3.708 20 30 EHEDMO Cc1ccc(C#N)cc1NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000069606915 1138089439 /nfs/dbraw/zinc/08/94/39/1138089439.db2.gz IHBADUFUCKYPAT-MRXNPFEDSA-N 1 1 328.460 3.643 20 30 EHEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000072693734 1138107246 /nfs/dbraw/zinc/10/72/46/1138107246.db2.gz SMLQVMLJMHPJKY-ZBFHGGJFSA-N 1 1 329.469 3.505 20 30 EHEDMO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCc2ccccc21 ZINC000075622568 1138128597 /nfs/dbraw/zinc/12/85/97/1138128597.db2.gz HWGZHUZJVJCSOM-GOSISDBHSA-N 1 1 330.391 3.728 20 30 EHEDMO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCc2ccccc21 ZINC000075622568 1138128599 /nfs/dbraw/zinc/12/85/99/1138128599.db2.gz HWGZHUZJVJCSOM-GOSISDBHSA-N 1 1 330.391 3.728 20 30 EHEDMO C=CCC1(O)CC[NH+]([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)CC1 ZINC000886767063 1138136284 /nfs/dbraw/zinc/13/62/84/1138136284.db2.gz YTYIUKVSUZZFCC-MRXNPFEDSA-N 1 1 341.455 3.817 20 30 EHEDMO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)CCS1 ZINC000093502370 1138237870 /nfs/dbraw/zinc/23/78/70/1138237870.db2.gz VZURUZZSOISOAG-MRXNPFEDSA-N 1 1 334.485 3.705 20 30 EHEDMO C#CCOc1ccc(C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000093889503 1138242789 /nfs/dbraw/zinc/24/27/89/1138242789.db2.gz IZBQYGHJRKWKHE-GYCJOSAFSA-N 1 1 341.476 3.629 20 30 EHEDMO CC(=O)c1ccc(C#N)cc1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000336942350 1138431753 /nfs/dbraw/zinc/43/17/53/1138431753.db2.gz ZFBADAXOXUJJHP-QGZVFWFLSA-N 1 1 348.450 3.678 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000130737974 1138473110 /nfs/dbraw/zinc/47/31/10/1138473110.db2.gz FFLCNRQMTPHSQT-UHFFFAOYSA-N 1 1 343.408 3.571 20 30 EHEDMO Cc1ccccc1[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000337697263 1138645831 /nfs/dbraw/zinc/64/58/31/1138645831.db2.gz UDOWWNGNRMUUHG-SJLPKXTDSA-N 1 1 333.435 3.683 20 30 EHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000134143383 1138674688 /nfs/dbraw/zinc/67/46/88/1138674688.db2.gz FMJQDGRBMCEHFY-YJBOKZPZSA-N 1 1 343.471 3.683 20 30 EHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000134143595 1138674753 /nfs/dbraw/zinc/67/47/53/1138674753.db2.gz FMJQDGRBMCEHFY-QAPCUYQASA-N 1 1 343.471 3.683 20 30 EHEDMO CN(Cc1cc(C#N)cs1)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000887971462 1139004122 /nfs/dbraw/zinc/00/41/22/1139004122.db2.gz ZNVHLEKULNAHJY-MRXNPFEDSA-N 1 1 347.871 3.534 20 30 EHEDMO C=CC[C@H](C)NC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000176867716 1139583342 /nfs/dbraw/zinc/58/33/42/1139583342.db2.gz PKNXRCPQSOMWHT-HKUYNNGSSA-N 1 1 329.488 3.505 20 30 EHEDMO CC[NH+](CC)CCOc1ccccc1CNCc1ccc(C#N)s1 ZINC000176948989 1139589035 /nfs/dbraw/zinc/58/90/35/1139589035.db2.gz CAVYKQSNBZKFOZ-UHFFFAOYSA-N 1 1 343.496 3.630 20 30 EHEDMO CCOC[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177172476 1139600756 /nfs/dbraw/zinc/60/07/56/1139600756.db2.gz UQANKDRCDSRQQP-MRXNPFEDSA-N 1 1 325.374 3.805 20 30 EHEDMO CC[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cc(F)ccc1F ZINC000179791593 1139783399 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EHEDMO C=Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000185242849 1140141374 /nfs/dbraw/zinc/14/13/74/1140141374.db2.gz RVIVOSUITTXWBO-UHFFFAOYSA-N 1 1 345.446 3.549 20 30 EHEDMO CCN(C[C@@H]1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1)CC(F)(F)F ZINC000187707709 1140268638 /nfs/dbraw/zinc/26/86/38/1140268638.db2.gz JJKPWCSJDQEWIB-HOCLYGCPSA-N 1 1 339.405 3.825 20 30 EHEDMO CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000191513222 1140469583 /nfs/dbraw/zinc/46/95/83/1140469583.db2.gz WTJQNALNYSGENO-UHFFFAOYSA-N 1 1 330.863 3.883 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000268022642 1140868538 /nfs/dbraw/zinc/86/85/38/1140868538.db2.gz JSGVHXCSGNZKTP-WMLDXEAASA-N 1 1 337.398 3.514 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000268022642 1140868553 /nfs/dbraw/zinc/86/85/53/1140868553.db2.gz JSGVHXCSGNZKTP-WMLDXEAASA-N 1 1 337.398 3.514 20 30 EHEDMO CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CCC(C#N)CC1 ZINC000269036498 1141052818 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340.423 3.905 20 30 EHEDMO N#Cc1cnn2cc(C[N@@H+]3CC4(CCCC4)[C@H]3c3ccccc3)cnc12 ZINC000592515243 1033002447 /nfs/dbraw/zinc/00/24/47/1033002447.db2.gz WQLFXZOWZMIPKF-LJQANCHMSA-N 1 1 343.434 3.718 20 30 EHEDMO N#Cc1cnn2cc(C[N@H+]3CC4(CCCC4)[C@H]3c3ccccc3)cnc12 ZINC000592515243 1033002463 /nfs/dbraw/zinc/00/24/63/1033002463.db2.gz WQLFXZOWZMIPKF-LJQANCHMSA-N 1 1 343.434 3.718 20 30 EHEDMO N#Cc1c(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)cn2ccccc12 ZINC000437514127 1021908517 /nfs/dbraw/zinc/90/85/17/1021908517.db2.gz NCHRBLHUZJNGAW-HXUWFJFHSA-N 1 1 345.446 3.645 20 30 EHEDMO C=CCN(CCc1ccccc1)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000520130223 1021952017 /nfs/dbraw/zinc/95/20/17/1021952017.db2.gz INJKNHRDJWYQPK-RBUKOAKNSA-N 1 1 343.515 3.547 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000506070169 1021976557 /nfs/dbraw/zinc/97/65/57/1021976557.db2.gz HMBPDIAYLZWMQV-UHFFFAOYSA-N 1 1 343.833 3.669 20 30 EHEDMO CCCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cn[nH]c1 ZINC001270237789 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COc1cc(C#N)ccc1C[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000501208756 1027138683 /nfs/dbraw/zinc/13/86/83/1027138683.db2.gz YUSPMTHWPIADKU-UHFFFAOYSA-N 1 1 328.387 3.607 20 30 EHEDMO COc1cc(C#N)ccc1CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000501210341 1027138725 /nfs/dbraw/zinc/13/87/25/1027138725.db2.gz RVMKWXPCANCODN-HKUYNNGSSA-N 1 1 341.499 3.653 20 30 EHEDMO CCC[N@@H+](CC(=O)N(C(C)C)C1CCCC1)Cc1ccc(C#N)cc1 ZINC000531647537 1027139751 /nfs/dbraw/zinc/13/97/51/1027139751.db2.gz MMCHKCIEUKSTJK-UHFFFAOYSA-N 1 1 341.499 3.950 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1 ZINC000076153539 1027251292 /nfs/dbraw/zinc/25/12/92/1027251292.db2.gz JZXJMQNNYMRXGX-PMACEKPBSA-N 1 1 333.435 3.787 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000076152964 1027253357 /nfs/dbraw/zinc/25/33/57/1027253357.db2.gz FNYGACVESNOVCF-FPOVZHCZSA-N 1 1 343.430 3.800 20 30 EHEDMO COCC1(C#N)CC[NH+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000342836586 1027559217 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C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCCO1 ZINC000502158459 1027896758 /nfs/dbraw/zinc/89/67/58/1027896758.db2.gz PQEIWMKOXAUDPO-AWEZNQCLSA-N 1 1 328.225 3.755 20 30 EHEDMO CC(C)[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H](C)c1ccsc1 ZINC000421007408 1027983880 /nfs/dbraw/zinc/98/38/80/1027983880.db2.gz LGFPRSSHYBHNCV-YJBOKZPZSA-N 1 1 344.480 3.831 20 30 EHEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C[C@H]1CCC[C@@H]1O ZINC000444656091 1028117935 /nfs/dbraw/zinc/11/79/35/1028117935.db2.gz CJMWUGXARPDDCU-KNQAVFIVSA-N 1 1 348.490 3.979 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c(OC(F)F)c1 ZINC000444705105 1028181304 /nfs/dbraw/zinc/18/13/04/1028181304.db2.gz LYKDXQPLIRVKGM-NSHDSACASA-N 1 1 334.288 3.934 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c(OC(F)F)c1 ZINC000444705105 1028181309 /nfs/dbraw/zinc/18/13/09/1028181309.db2.gz LYKDXQPLIRVKGM-NSHDSACASA-N 1 1 334.288 3.934 20 30 EHEDMO CC(C)[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000444751260 1028239797 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C=CCOc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)cc1OC ZINC000414530601 1028559328 /nfs/dbraw/zinc/55/93/28/1028559328.db2.gz QUGAVXURBQKTGO-HXUWFJFHSA-N 1 1 345.483 3.897 20 30 EHEDMO CCN(c1cc[nH+]c(NCc2ccc(C#N)s2)n1)C1CCCC1 ZINC000508520126 1028567267 /nfs/dbraw/zinc/56/72/67/1028567267.db2.gz YHWJZRSDRBNIAW-UHFFFAOYSA-N 1 1 327.457 3.791 20 30 EHEDMO C[C@H](C#N)Oc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000237591208 1028656080 /nfs/dbraw/zinc/65/60/80/1028656080.db2.gz GWBDULONDLESKK-GOSISDBHSA-N 1 1 349.478 3.732 20 30 EHEDMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000247074023 1028743514 /nfs/dbraw/zinc/74/35/14/1028743514.db2.gz VYYMTAGHENBBDG-HUUCEWRRSA-N 1 1 328.485 3.645 20 30 EHEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000247074023 1028743532 /nfs/dbraw/zinc/74/35/32/1028743532.db2.gz VYYMTAGHENBBDG-HUUCEWRRSA-N 1 1 328.485 3.645 20 30 EHEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000524071138 1028811122 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COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000525408356 1029838129 /nfs/dbraw/zinc/83/81/29/1029838129.db2.gz IFVLYQZAYGOJAO-LPHOPBHVSA-N 1 1 336.435 3.824 20 30 EHEDMO C[C@H](CSc1ccccc1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000593047369 1029846792 /nfs/dbraw/zinc/84/67/92/1029846792.db2.gz ZPJSYIOJKOVSHZ-CYBMUJFWSA-N 1 1 345.493 3.671 20 30 EHEDMO C[C@H](CSc1ccccc1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000593047369 1029846800 /nfs/dbraw/zinc/84/68/00/1029846800.db2.gz ZPJSYIOJKOVSHZ-CYBMUJFWSA-N 1 1 345.493 3.671 20 30 EHEDMO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cc2n(n1)CCCC2 ZINC000647294332 1029891653 /nfs/dbraw/zinc/89/16/53/1029891653.db2.gz ZXUCPUPWZUUKPM-CQSZACIVSA-N 1 1 347.384 3.941 20 30 EHEDMO C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000447057463 1029895063 /nfs/dbraw/zinc/89/50/63/1029895063.db2.gz FHWMRWZLKHZMCL-KRWDZBQOSA-N 1 1 342.446 3.817 20 30 EHEDMO CC[C@H](C[N@@H+](CC)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000481768051 1029935400 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341.503 3.538 20 30 EHEDMO CC[C@@H]1CN(c2cc(C(C)=O)ccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000302151871 1128623044 /nfs/dbraw/zinc/62/30/44/1128623044.db2.gz KUXCXNWPZLOZME-OAQYLSRUSA-N 1 1 347.462 3.862 20 30 EHEDMO CC[C@@H]1CN(c2cc(C(C)=O)ccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000302151871 1128623045 /nfs/dbraw/zinc/62/30/45/1128623045.db2.gz KUXCXNWPZLOZME-OAQYLSRUSA-N 1 1 347.462 3.862 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@H](CNc1ccc(Cl)c(C#N)n1)C1CC1 ZINC000302524178 1128635365 /nfs/dbraw/zinc/63/53/65/1128635365.db2.gz ZOPTYNYMAKTBRW-GOSISDBHSA-N 1 1 340.858 3.929 20 30 EHEDMO Cc1ccc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc1C#N ZINC000302677573 1128641119 /nfs/dbraw/zinc/64/11/19/1128641119.db2.gz VEAPJUXOMLCTNB-KSSFIOAISA-N 1 1 326.469 3.818 20 30 EHEDMO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000359868462 1128671836 /nfs/dbraw/zinc/67/18/36/1128671836.db2.gz HTJHOXAAPPZNOY-RDTXWAMCSA-N 1 1 345.406 3.586 20 30 EHEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000359868462 1128671838 /nfs/dbraw/zinc/67/18/38/1128671838.db2.gz HTJHOXAAPPZNOY-RDTXWAMCSA-N 1 1 345.406 3.586 20 30 EHEDMO C[C@@](CO)([NH2+]Cc1csc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000921746979 1128724343 /nfs/dbraw/zinc/72/43/43/1128724343.db2.gz QDIFXMZEIKXQBS-HNNXBMFYSA-N 1 1 340.370 3.636 20 30 EHEDMO Cc1[nH+]ccn1-c1ccccc1CNc1c(C#N)nnc2ccccc21 ZINC000338720571 1128755283 /nfs/dbraw/zinc/75/52/83/1128755283.db2.gz YLXFNWJGCJSECI-UHFFFAOYSA-N 1 1 340.390 3.608 20 30 EHEDMO CC(C)[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000428842985 1128772330 /nfs/dbraw/zinc/77/23/30/1128772330.db2.gz SHSKWLFYJJTQKT-YLJYHZDGSA-N 1 1 338.451 3.770 20 30 EHEDMO C[C@@H]1C[C@H](NCc2csc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000921816798 1128783878 /nfs/dbraw/zinc/78/38/78/1128783878.db2.gz KCNITBLHPVGTKT-CRAIPNDOSA-N 1 1 325.481 3.762 20 30 EHEDMO C[C@@H]1C[C@H]([NH2+]Cc2csc(C#N)c2)CCN1Cc1ccccc1 ZINC000921816798 1128783882 /nfs/dbraw/zinc/78/38/82/1128783882.db2.gz KCNITBLHPVGTKT-CRAIPNDOSA-N 1 1 325.481 3.762 20 30 EHEDMO Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000075752316 1128878887 /nfs/dbraw/zinc/87/88/87/1128878887.db2.gz GZKZPKBNMVFTLL-MRXNPFEDSA-N 1 1 346.434 3.980 20 30 EHEDMO C=C[C@](C)(CC)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000190649322 1120645631 /nfs/dbraw/zinc/64/56/31/1120645631.db2.gz WXZXSYZGCGQRJS-LLGFUMIMSA-N 1 1 344.499 3.514 20 30 EHEDMO C=C[C@](C)(CC)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000190649322 1120645634 /nfs/dbraw/zinc/64/56/34/1120645634.db2.gz WXZXSYZGCGQRJS-LLGFUMIMSA-N 1 1 344.499 3.514 20 30 EHEDMO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000192014787 1120705480 /nfs/dbraw/zinc/70/54/80/1120705480.db2.gz URVJDHJYWMGIOP-UHFFFAOYSA-N 1 1 347.434 3.529 20 30 EHEDMO C[C@H](C/N=C\c1cc(Cl)ccc1O)[N@H+]1CCc2ccccc2C1 ZINC000914558319 1120896286 /nfs/dbraw/zinc/89/62/86/1120896286.db2.gz SUUNOUSNKUZWAU-LQFJMUIISA-N 1 1 328.843 3.911 20 30 EHEDMO C[C@@H]([N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(C)(C)C ZINC000915215964 1121252065 /nfs/dbraw/zinc/25/20/65/1121252065.db2.gz FCBTYRWCPRSNGS-HIFRSBDPSA-N 1 1 336.439 3.590 20 30 EHEDMO Cc1ccc(C#N)c(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000311007175 1128975400 /nfs/dbraw/zinc/97/54/00/1128975400.db2.gz JIWRKPIZMNYYAJ-LJQANCHMSA-N 1 1 334.467 3.976 20 30 EHEDMO N#Cc1ccc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000311120750 1128982220 /nfs/dbraw/zinc/98/22/20/1128982220.db2.gz HBIDSQLNGJEBEX-FCHUYYIVSA-N 1 1 331.463 3.512 20 30 EHEDMO N#Cc1ccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000311120750 1128982222 /nfs/dbraw/zinc/98/22/22/1128982222.db2.gz HBIDSQLNGJEBEX-FCHUYYIVSA-N 1 1 331.463 3.512 20 30 EHEDMO Cc1cc(F)ccc1C[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000487964554 1121390772 /nfs/dbraw/zinc/39/07/72/1121390772.db2.gz UPKANUFVSYOJAN-UHFFFAOYSA-N 1 1 345.805 3.730 20 30 EHEDMO Cc1cc(F)ccc1C[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000487964554 1121390782 /nfs/dbraw/zinc/39/07/82/1121390782.db2.gz UPKANUFVSYOJAN-UHFFFAOYSA-N 1 1 345.805 3.730 20 30 EHEDMO C[C@H](NC(=O)Nc1cccc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272280046 1121509804 /nfs/dbraw/zinc/50/98/04/1121509804.db2.gz DJZVHQXBWOSUHO-QFBILLFUSA-N 1 1 348.450 3.590 20 30 EHEDMO C=C(Br)CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762925174 1121525818 /nfs/dbraw/zinc/52/58/18/1121525818.db2.gz BYLKCUKYXOGKME-UHFFFAOYSA-N 1 1 349.316 3.883 20 30 EHEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000113265635 1128993557 /nfs/dbraw/zinc/99/35/57/1128993557.db2.gz ZDMCOXHGRDVKOZ-JOCHJYFZSA-N 1 1 347.462 3.941 20 30 EHEDMO CCCC[N@@H+](C)CC1CCN(c2cc(C(C)=O)ccc2C#N)CC1 ZINC000272510718 1121670339 /nfs/dbraw/zinc/67/03/39/1121670339.db2.gz MNXUWTTYFAITQF-UHFFFAOYSA-N 1 1 327.472 3.709 20 30 EHEDMO COc1ccc([C@H](C)[N@@H+](C)CCOc2ccc(C#N)cc2OC)cc1 ZINC000077250187 1129003119 /nfs/dbraw/zinc/00/31/19/1129003119.db2.gz MHAHWTXZNGNQIQ-HNNXBMFYSA-N 1 1 340.423 3.647 20 30 EHEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000282118995 1121795126 /nfs/dbraw/zinc/79/51/26/1121795126.db2.gz XRBPEKJXWYQEGN-UPCLLVRISA-N 1 1 348.512 3.517 20 30 EHEDMO COc1ccc2cc(C[N@@H+](C)C[C@@H](O)c3ccc(C#N)cc3)ccc2c1 ZINC000763233756 1121915933 /nfs/dbraw/zinc/91/59/33/1121915933.db2.gz NVGHJERVSOGVPP-JOCHJYFZSA-N 1 1 346.430 3.885 20 30 EHEDMO C=CC[C@H](Cc1ccccc1)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648931138 1121928558 /nfs/dbraw/zinc/92/85/58/1121928558.db2.gz OTRQCQVPMCHHEA-SJLPKXTDSA-N 1 1 325.456 3.700 20 30 EHEDMO C=C(C)CNC(=S)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000916012228 1122028176 /nfs/dbraw/zinc/02/81/76/1122028176.db2.gz GEIJCNUQIMFHHH-CALCHBBNSA-N 1 1 345.556 3.705 20 30 EHEDMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCCCC(C)(C)C#N ZINC000496632166 1122142545 /nfs/dbraw/zinc/14/25/45/1122142545.db2.gz JXULDPFUIUZPCM-HZPDHXFCSA-N 1 1 337.508 3.942 20 30 EHEDMO CC(C)C[N@@H+](CCC#N)C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000916633244 1122223459 /nfs/dbraw/zinc/22/34/59/1122223459.db2.gz RHLXFZTVTPHHIH-MAUKXSAKSA-N 1 1 338.879 3.650 20 30 EHEDMO N#CC1CC[NH+](Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000123771842 1122263824 /nfs/dbraw/zinc/26/38/24/1122263824.db2.gz CTVGDTOLNSOBSQ-UHFFFAOYSA-N 1 1 334.467 3.961 20 30 EHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497179786 1122362268 /nfs/dbraw/zinc/36/22/68/1122362268.db2.gz BMGDDYQQHWJNFK-ZACQAIPSSA-N 1 1 335.492 3.648 20 30 EHEDMO C=CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000497936402 1122707040 /nfs/dbraw/zinc/70/70/40/1122707040.db2.gz HNHVORVSNXCMRH-MGPQQGTHSA-N 1 1 334.426 3.756 20 30 EHEDMO C=CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000497936401 1122707154 /nfs/dbraw/zinc/70/71/54/1122707154.db2.gz HNHVORVSNXCMRH-BFHYXJOUSA-N 1 1 334.426 3.756 20 30 EHEDMO C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000130793058 1123000148 /nfs/dbraw/zinc/00/01/48/1123000148.db2.gz SKDLIGWEINTZOS-FQEVSTJZSA-N 1 1 343.515 3.752 20 30 EHEDMO C=CCC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000130970987 1123027642 /nfs/dbraw/zinc/02/76/42/1123027642.db2.gz BTQOTCWPWPGATR-NEWSRXKRSA-N 1 1 329.488 3.818 20 30 EHEDMO N#Cc1ccc(C[N@H+](CCOc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000194957870 1123093318 /nfs/dbraw/zinc/09/33/18/1123093318.db2.gz PUEJEKKZEUWTLS-UHFFFAOYSA-N 1 1 337.379 3.510 20 30 EHEDMO CCc1ccc([C@@H]2CCCCC[N@H+]2CCC(=O)N(C)CCC#N)o1 ZINC000131674463 1123162746 /nfs/dbraw/zinc/16/27/46/1123162746.db2.gz QAQHKQVBYCNGGL-KRWDZBQOSA-N 1 1 331.460 3.521 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)/C=C\c2ccccc2C#N)C1 ZINC000919857620 1123186545 /nfs/dbraw/zinc/18/65/45/1123186545.db2.gz SULRJDMGCQXSSX-NDLUBXDGSA-N 1 1 345.446 3.523 20 30 EHEDMO COc1cccc(O)c1/C=N\C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000921260842 1123500752 /nfs/dbraw/zinc/50/07/52/1123500752.db2.gz GYMNMCXXEIGTCC-CEZZIEKDSA-N 1 1 338.451 3.874 20 30 EHEDMO C=CC[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)CC1CCCCC1 ZINC000609564982 1123609613 /nfs/dbraw/zinc/60/96/13/1123609613.db2.gz BYDABKFRAACIBO-HXUWFJFHSA-N 1 1 342.483 3.561 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2OCc2cccnc2)c(F)c1 ZINC000237710197 1123823654 /nfs/dbraw/zinc/82/36/54/1123823654.db2.gz NXURAZCVZWTKML-UHFFFAOYSA-N 1 1 347.393 3.961 20 30 EHEDMO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000179691451 1123824541 /nfs/dbraw/zinc/82/45/41/1123824541.db2.gz IMXLWYZFYRFGJU-UHFFFAOYSA-N 1 1 343.789 3.568 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000179935820 1123900110 /nfs/dbraw/zinc/90/01/10/1123900110.db2.gz RQWXKSSIGOAFMS-UHFFFAOYSA-N 1 1 327.472 3.572 20 30 EHEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000245955750 1123989976 /nfs/dbraw/zinc/98/99/76/1123989976.db2.gz QMXHQIITOOMCTG-RTBURBONSA-N 1 1 342.487 3.595 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000246070875 1124012610 /nfs/dbraw/zinc/01/26/10/1124012610.db2.gz ZISCFZKXCFKSKC-PMPSAXMXSA-N 1 1 345.512 3.855 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000246070875 1124012615 /nfs/dbraw/zinc/01/26/15/1124012615.db2.gz ZISCFZKXCFKSKC-PMPSAXMXSA-N 1 1 345.512 3.855 20 30 EHEDMO C=CC[C@@H](NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)c1ccncc1 ZINC000734661831 1131266094 /nfs/dbraw/zinc/26/60/94/1131266094.db2.gz RQVJTFUTSFSYLW-SJLPKXTDSA-N 1 1 344.503 3.509 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)CC1CCCC1 ZINC000069227565 1124538194 /nfs/dbraw/zinc/53/81/94/1124538194.db2.gz SOVWMGAGGRWILS-GFCCVEGCSA-N 1 1 331.485 3.557 20 30 EHEDMO CCCn1cc[nH+]c1CCCN(C)c1nc(C(C)(C)C)ccc1C#N ZINC000617481386 1124584282 /nfs/dbraw/zinc/58/42/82/1124584282.db2.gz MUENCGKZRTYGCA-UHFFFAOYSA-N 1 1 339.487 3.926 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(Br)ccc2C)no1 ZINC001212325345 1124656199 /nfs/dbraw/zinc/65/61/99/1124656199.db2.gz PIXTZUQNGNLGRL-ZDUSSCGKSA-N 1 1 334.217 3.611 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000248862249 1124709599 /nfs/dbraw/zinc/70/95/99/1124709599.db2.gz PVHGEPLDNOCXLW-GBMAXXPESA-N 1 1 325.500 3.815 20 30 EHEDMO COC[C@@H]1CCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000618284598 1125037765 /nfs/dbraw/zinc/03/77/65/1125037765.db2.gz ZJMONKIRQHYLBL-NRFANRHFSA-N 1 1 334.463 3.997 20 30 EHEDMO COCC[N@H+](Cc1cnc(C2CC2)s1)Cc1ccc(C#N)cc1 ZINC000092567962 1125131569 /nfs/dbraw/zinc/13/15/69/1125131569.db2.gz LHAYEFAPLRJPST-UHFFFAOYSA-N 1 1 327.453 3.541 20 30 EHEDMO COCC[N@@H+](Cc1cnc(C2CC2)s1)Cc1ccc(C#N)cc1 ZINC000092567962 1125131576 /nfs/dbraw/zinc/13/15/76/1125131576.db2.gz LHAYEFAPLRJPST-UHFFFAOYSA-N 1 1 327.453 3.541 20 30 EHEDMO N#Cc1ccc(N2CC[NH+](Cc3ccc4cnccc4c3)CC2)c(F)c1 ZINC000618809730 1125208775 /nfs/dbraw/zinc/20/87/75/1125208775.db2.gz QOJVGFIHPBPKNL-UHFFFAOYSA-N 1 1 346.409 3.568 20 30 EHEDMO CC[C@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1c(C)noc1C ZINC000182504045 1125321986 /nfs/dbraw/zinc/32/19/86/1125321986.db2.gz IKYJWPQPHTWGFV-AWEZNQCLSA-N 1 1 346.456 3.521 20 30 EHEDMO Cc1c(Cl)cnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000543138057 1129274113 /nfs/dbraw/zinc/27/41/13/1129274113.db2.gz CZNWOXMWWAHYHO-INIZCTEOSA-N 1 1 340.858 3.626 20 30 EHEDMO C[N@@H+](CCCc1ccccc1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000079989181 1129314626 /nfs/dbraw/zinc/31/46/26/1129314626.db2.gz JBELXQKIMVLVKW-UHFFFAOYSA-N 1 1 341.842 3.715 20 30 EHEDMO COc1ccccc1OCC[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000426398760 1129357658 /nfs/dbraw/zinc/35/76/58/1129357658.db2.gz ZZASGXMJTPHJNN-UHFFFAOYSA-N 1 1 329.827 3.711 20 30 EHEDMO CCC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000466480092 1129484297 /nfs/dbraw/zinc/48/42/97/1129484297.db2.gz AGLXPTHUVOIIQW-IAGOWNOFSA-N 1 1 345.462 3.973 20 30 EHEDMO CN(c1nc2c(cc1C#N)CCC2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388526296 1129531298 /nfs/dbraw/zinc/53/12/98/1129531298.db2.gz RBBMZRXLEHKWEU-HXUWFJFHSA-N 1 1 346.478 3.543 20 30 EHEDMO CC1(C)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]2CCC[C@@H]21 ZINC000328886732 1129584454 /nfs/dbraw/zinc/58/44/54/1129584454.db2.gz ZWQJQEPXQYKZBH-HOCLYGCPSA-N 1 1 331.847 3.661 20 30 EHEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cnc3ccc(C#N)cn23)cc1 ZINC000155167679 1129617181 /nfs/dbraw/zinc/61/71/81/1129617181.db2.gz YDIAHMYFOGLWHV-LJQANCHMSA-N 1 1 332.407 3.552 20 30 EHEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)cs2)cc1OC ZINC000124681479 1129624767 /nfs/dbraw/zinc/62/47/67/1129624767.db2.gz WLYPFDHGEHZTDW-INIZCTEOSA-N 1 1 328.437 3.974 20 30 EHEDMO COc1cc(CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000281720154 1129714758 /nfs/dbraw/zinc/71/47/58/1129714758.db2.gz PCALBSOCBNYFOC-DYESRHJHSA-N 1 1 349.478 3.567 20 30 EHEDMO COc1cc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000281720154 1129714761 /nfs/dbraw/zinc/71/47/61/1129714761.db2.gz PCALBSOCBNYFOC-DYESRHJHSA-N 1 1 349.478 3.567 20 30 EHEDMO C=C(C)C[N@H+](CC)CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000125931257 1129724870 /nfs/dbraw/zinc/72/48/70/1129724870.db2.gz DTODCVQVPQLYON-UHFFFAOYSA-N 1 1 337.467 3.682 20 30 EHEDMO C=CC[C@H]([NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C)c1ccncc1 ZINC000766019553 1129791646 /nfs/dbraw/zinc/79/16/46/1129791646.db2.gz MMTMWEHTEVQKAA-KXBFYZLASA-N 1 1 333.439 3.939 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429209716 1129979703 /nfs/dbraw/zinc/97/97/03/1129979703.db2.gz FLLPMARINHXXQH-HNNXBMFYSA-N 1 1 349.906 3.728 20 30 EHEDMO OCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCc1ccccc1 ZINC000674251085 1130037284 /nfs/dbraw/zinc/03/72/84/1130037284.db2.gz LJEWCIVYGKWACL-UHFFFAOYSA-N 1 1 347.380 3.594 20 30 EHEDMO CCC[N@H+]1Cc2cccc(NC(=O)/C=C/c3cccc(C#N)c3)c2C1 ZINC000171307686 1130044831 /nfs/dbraw/zinc/04/48/31/1130044831.db2.gz XPYGTPVQUKHNRA-MDZDMXLPSA-N 1 1 331.419 3.936 20 30 EHEDMO COc1cccc([C@@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000173212027 1130197218 /nfs/dbraw/zinc/19/72/18/1130197218.db2.gz AFRDWVCYWAGMFP-QGZVFWFLSA-N 1 1 335.451 3.840 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2cc(Br)ccc2F)c(F)c1 ZINC000041069438 1130319907 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EHEDMO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173601566 1132102992 /nfs/dbraw/zinc/10/29/92/1132102992.db2.gz VXRNJTFMNSPXDQ-UYFTZEKXSA-N 1 1 335.492 3.836 20 30 EHEDMO C#CCOc1ccccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379647196 1132198464 /nfs/dbraw/zinc/19/84/64/1132198464.db2.gz KDWRNKSSTBMHNR-UGKGYDQZSA-N 1 1 348.490 3.841 20 30 EHEDMO C#CCOc1ccccc1C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379647196 1132198468 /nfs/dbraw/zinc/19/84/68/1132198468.db2.gz KDWRNKSSTBMHNR-UGKGYDQZSA-N 1 1 348.490 3.841 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H](CC(C)C)C2)cc1 ZINC000745946388 1132334640 /nfs/dbraw/zinc/33/46/40/1132334640.db2.gz BVQMVOOCIZKXFI-MOPGFXCFSA-N 1 1 341.499 3.998 20 30 EHEDMO C=CC[N@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)C(C)(C)C ZINC001174641843 1132422452 /nfs/dbraw/zinc/42/24/52/1132422452.db2.gz OCIPPVPWNKBYFS-UHFFFAOYSA-N 1 1 327.472 3.837 20 30 EHEDMO CCCCCCCOc1ccc([N@@H+]2C=CC(=NC(C)=O)C(N)=C2)cc1 ZINC001175190316 1132582915 /nfs/dbraw/zinc/58/29/15/1132582915.db2.gz LESDTAVJJUKJGQ-UHFFFAOYSA-N 1 1 341.455 3.856 20 30 EHEDMO CCCCCCCOc1ccc([N@H+]2C=CC(=NC(C)=O)C(N)=C2)cc1 ZINC001175190316 1132582922 /nfs/dbraw/zinc/58/29/22/1132582922.db2.gz LESDTAVJJUKJGQ-UHFFFAOYSA-N 1 1 341.455 3.856 20 30 EHEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC001175194754 1132584158 /nfs/dbraw/zinc/58/41/58/1132584158.db2.gz LODUXDOZDPZPDU-IUODEOHRSA-N 1 1 349.862 3.699 20 30 EHEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC001175194754 1132584165 /nfs/dbraw/zinc/58/41/65/1132584165.db2.gz LODUXDOZDPZPDU-IUODEOHRSA-N 1 1 349.862 3.699 20 30 EHEDMO CCOc1cccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1F ZINC001175234859 1132603596 /nfs/dbraw/zinc/60/35/96/1132603596.db2.gz RCHUISDCACCYGY-UHFFFAOYSA-N 1 1 331.416 3.889 20 30 EHEDMO C#CCC1(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C)c3)C2)CCCCC1 ZINC001169150951 1132678589 /nfs/dbraw/zinc/67/85/89/1132678589.db2.gz XIRWWIOLKBVMKV-FQEVSTJZSA-N 1 1 338.495 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C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)cc2C)c1 ZINC000768505239 1133147182 /nfs/dbraw/zinc/14/71/82/1133147182.db2.gz NMPFWPHSGNCFKG-UHFFFAOYSA-N 1 1 326.827 3.700 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(Cl)cc2C)c1 ZINC000768505239 1133147187 /nfs/dbraw/zinc/14/71/87/1133147187.db2.gz NMPFWPHSGNCFKG-UHFFFAOYSA-N 1 1 326.827 3.700 20 30 EHEDMO C=CCOc1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000769401290 1133276889 /nfs/dbraw/zinc/27/68/89/1133276889.db2.gz GDSDPJOSLHCIFB-HNNXBMFYSA-N 1 1 334.460 3.596 20 30 EHEDMO C#CC[N@H+](Cc1ccc(-c2ccc(C(=O)OCC)cc2)o1)CC1CC1 ZINC001180116876 1133334342 /nfs/dbraw/zinc/33/43/42/1133334342.db2.gz MYJKOBDYCMSIQX-UHFFFAOYSA-N 1 1 337.419 3.969 20 30 EHEDMO C#Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC001180210663 1133343520 /nfs/dbraw/zinc/34/35/20/1133343520.db2.gz KXJWNUKYYXKHPU-FQEVSTJZSA-N 1 1 336.410 3.800 20 30 EHEDMO C#Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC001180210663 1133343527 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COc1ccc([C@H]2[C@@H](COC(=O)CC(C)(C)C#N)CCC[N@H+]2C)cc1 ZINC000786419538 1133846854 /nfs/dbraw/zinc/84/68/54/1133846854.db2.gz DUGQNYKKRBFCAX-APWZRJJASA-N 1 1 344.455 3.561 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(F)cc1C ZINC000746657165 1133964606 /nfs/dbraw/zinc/96/46/06/1133964606.db2.gz BQQSYJGKYPOVEF-FQEVSTJZSA-N 1 1 326.415 3.951 20 30 EHEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC001184795555 1133991892 /nfs/dbraw/zinc/99/18/92/1133991892.db2.gz ZSCNVWBVFUVARH-GOSISDBHSA-N 1 1 326.484 3.760 20 30 EHEDMO Cc1cc(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N ZINC000774839939 1134048518 /nfs/dbraw/zinc/04/85/18/1134048518.db2.gz GRCVPLQNOGIDCZ-UHFFFAOYSA-N 1 1 343.471 3.698 20 30 EHEDMO C#CC(C)(C)[N@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1 ZINC000787997630 1134062818 /nfs/dbraw/zinc/06/28/18/1134062818.db2.gz MUUIFLOJZZHLDG-IBGZPJMESA-N 1 1 340.492 3.606 20 30 EHEDMO C#CC(C)(C)[N@@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1 ZINC000787997630 1134062824 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EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N2CC[N@H+](CC)[C@H](C)C2)c1 ZINC001189268633 1134565328 /nfs/dbraw/zinc/56/53/28/1134565328.db2.gz MRZJXHINALYYCQ-MRXNPFEDSA-N 1 1 329.488 3.690 20 30 EHEDMO Cc1cc(C#N)cnc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001170333374 1134751236 /nfs/dbraw/zinc/75/12/36/1134751236.db2.gz PJYZYMHDYADJEQ-OWZKRDHZSA-N 1 1 332.451 3.869 20 30 EHEDMO C#C[C@H](CC)[NH2+][C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000792640278 1134757013 /nfs/dbraw/zinc/75/70/13/1134757013.db2.gz BAEGNRVJBVASOO-XLIONFOSSA-N 1 1 336.435 3.685 20 30 EHEDMO COC(=O)[C@@H]1C[C@H](C)C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170389024 1134762593 /nfs/dbraw/zinc/76/25/93/1134762593.db2.gz JGDQRCKUIATURN-JPPFFPKXSA-N 1 1 340.467 3.522 20 30 EHEDMO COC(=O)[C@@]1(C)CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170389282 1134763409 /nfs/dbraw/zinc/76/34/09/1134763409.db2.gz QDKBDJLLAVOVAI-CKHPTIKVSA-N 1 1 340.467 3.666 20 30 EHEDMO CC[N@@H+](CCN1CCCC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170389695 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C=C(C)C[N@H+](Cc1cc(Br)nn1C)Cc1ccccc1 ZINC000793223081 1134877081 /nfs/dbraw/zinc/87/70/81/1134877081.db2.gz BOXLTVUSQICASJ-UHFFFAOYSA-N 1 1 334.261 3.761 20 30 EHEDMO C[NH+](C)Cc1ccc(NC(=O)Cc2ccccc2CC#N)cc1Cl ZINC000794231434 1135029620 /nfs/dbraw/zinc/02/96/20/1135029620.db2.gz DQFXWGJOSINTHJ-UHFFFAOYSA-N 1 1 341.842 3.649 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)C(C)(C)C2)c1C ZINC001193208183 1135114834 /nfs/dbraw/zinc/11/48/34/1135114834.db2.gz BYYMUUPXXUMQAH-QGZVFWFLSA-N 1 1 341.499 3.918 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1nc(Cl)c(C#N)s1 ZINC000804586905 1135126378 /nfs/dbraw/zinc/12/63/78/1135126378.db2.gz RGPQXSCHFYTSCZ-QWHCGFSZSA-N 1 1 346.887 3.767 20 30 EHEDMO C[C@H](C1CCCCC1)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001193807780 1135187197 /nfs/dbraw/zinc/18/71/97/1135187197.db2.gz MYYXKADCBJWWIE-UZLBHIALSA-N 1 1 339.483 3.954 20 30 EHEDMO C=CC[N@H+](C)CCN(CC)Cc1cccc(C)c1Br ZINC001193920516 1135203983 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C[N@@H+](CCc1cccc(C#N)c1)C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC001197105104 1135650235 /nfs/dbraw/zinc/65/02/35/1135650235.db2.gz QBFCHOZSHRRVDT-GOSISDBHSA-N 1 1 348.368 3.785 20 30 EHEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCCSC[C@H]2c2ccccc2)c1 ZINC001197368399 1135686153 /nfs/dbraw/zinc/68/61/53/1135686153.db2.gz HJBBTEJVFGVUGU-VQTJNVASSA-N 1 1 338.476 3.772 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2CC[C@H](C)[C@@H]2c2ccccc2)c1C#N ZINC001197661703 1135717343 /nfs/dbraw/zinc/71/73/43/1135717343.db2.gz ZCJZGZRJOCINCG-MGPUTAFESA-N 1 1 334.419 3.928 20 30 EHEDMO CCC[N@H+](CCN1CCCCCC1)Cc1ccc(OCC#N)cc1 ZINC000808781450 1135736470 /nfs/dbraw/zinc/73/64/70/1135736470.db2.gz GRVVLCZVBOEFPK-UHFFFAOYSA-N 1 1 329.488 3.677 20 30 EHEDMO CCC[N@@H+](CCN1CCCCCC1)Cc1ccc(OCC#N)cc1 ZINC000808781450 1135736472 /nfs/dbraw/zinc/73/64/72/1135736472.db2.gz GRVVLCZVBOEFPK-UHFFFAOYSA-N 1 1 329.488 3.677 20 30 EHEDMO CC[N@@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)[C@@H](C)C(C)C ZINC000747529560 1135741397 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C#CC[NH+]1CCC(c2nc([C@@H](c3ccccc3C)C(C)C)no2)CC1 ZINC000809512416 1135850033 /nfs/dbraw/zinc/85/00/33/1135850033.db2.gz YXSLAVGMOXZDOQ-LJQANCHMSA-N 1 1 337.467 3.979 20 30 EHEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)c1 ZINC000809719130 1135877663 /nfs/dbraw/zinc/87/76/63/1135877663.db2.gz CEZBVBUKXOBQHB-MRXNPFEDSA-N 1 1 347.484 3.643 20 30 EHEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)c1 ZINC000809719130 1135877666 /nfs/dbraw/zinc/87/76/66/1135877666.db2.gz CEZBVBUKXOBQHB-MRXNPFEDSA-N 1 1 347.484 3.643 20 30 EHEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cc1 ZINC000809766958 1135880452 /nfs/dbraw/zinc/88/04/52/1135880452.db2.gz COHHTMVBTVZKQW-LJQANCHMSA-N 1 1 345.446 3.713 20 30 EHEDMO CC(C)C[N@@H+](CCC#N)CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000775973821 1135907313 /nfs/dbraw/zinc/90/73/13/1135907313.db2.gz ARMUTDFIRDTBEL-UHFFFAOYSA-N 1 1 336.863 3.915 20 30 EHEDMO CCCC[N@@H+]1CCCC[C@H]1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000105458265 1135947976 /nfs/dbraw/zinc/94/79/76/1135947976.db2.gz VXWNSOYMEHVTLH-HKUYNNGSSA-N 1 1 329.488 3.722 20 30 EHEDMO CCCC[N@H+]1CCCC[C@H]1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000105458265 1135947978 /nfs/dbraw/zinc/94/79/78/1135947978.db2.gz VXWNSOYMEHVTLH-HKUYNNGSSA-N 1 1 329.488 3.722 20 30 EHEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)c2ccc(C)[nH]c2=O)CC[C@@H]1C ZINC001132321346 1135974807 /nfs/dbraw/zinc/97/48/07/1135974807.db2.gz GSXZGMAOBSVWMB-IRXDYDNUSA-N 1 1 347.503 3.649 20 30 EHEDMO C#CCOc1ccccc1[C@@H](C)OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810577128 1135977465 /nfs/dbraw/zinc/97/74/65/1135977465.db2.gz ZYDSESNOIYNNTR-QRWLVFNGSA-N 1 1 347.430 3.515 20 30 EHEDMO C#CCOc1ccccc1[C@H](C)OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810577127 1135977502 /nfs/dbraw/zinc/97/75/02/1135977502.db2.gz ZYDSESNOIYNNTR-MGPUTAFESA-N 1 1 347.430 3.515 20 30 EHEDMO CCCCCCC[N@@H+]1Cc2cncn2C[C@H](COc2ccccn2)C1 ZINC001201777454 1136065340 /nfs/dbraw/zinc/06/53/40/1136065340.db2.gz XHNYCLFRTBEKTF-GOSISDBHSA-N 1 1 342.487 3.759 20 30 EHEDMO CCCCCCCCC[N@H+]1CCC[C@@]2(CCN(CCOC)C2=O)C1 ZINC001201840209 1136069515 /nfs/dbraw/zinc/06/95/15/1136069515.db2.gz WTMZMZOIPFZZAU-HXUWFJFHSA-N 1 1 338.536 3.698 20 30 EHEDMO CCCCCCCCCC[N@@H+]1[C@H]2COC[C@@H]1C[C@@H](C(=O)OC)C2 ZINC001201874984 1136071849 /nfs/dbraw/zinc/07/18/49/1136071849.db2.gz NDASREWVPHMONI-BCDXTJNWSA-N 1 1 325.493 3.780 20 30 EHEDMO CCCCCCCCCC[N@H+]1[C@H]2COC[C@@H]1C[C@@H](C(=O)OC)C2 ZINC001201874984 1136071851 /nfs/dbraw/zinc/07/18/51/1136071851.db2.gz NDASREWVPHMONI-BCDXTJNWSA-N 1 1 325.493 3.780 20 30 EHEDMO Cc1nc(Cl)cc(N=NC2CC[N@@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000811642821 1136116103 /nfs/dbraw/zinc/11/61/03/1136116103.db2.gz HOBWXAAWZKKKOB-LBPRGKRZSA-N 1 1 329.835 3.501 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O ZINC000811779321 1136135065 /nfs/dbraw/zinc/13/50/65/1136135065.db2.gz OVZLPJFEWCXOOP-HKUYNNGSSA-N 1 1 331.456 3.519 20 30 EHEDMO C=CCc1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(O)c(OC)c1 ZINC000811793175 1136141248 /nfs/dbraw/zinc/14/12/48/1136141248.db2.gz TVNBDEKIKXGYLV-PXNSSMCTSA-N 1 1 343.467 3.663 20 30 EHEDMO N#Cc1ccc(-c2cccc(C[NH2+]Cc3cc4n(n3)CCC4)c2)s1 ZINC000850152575 1136214520 /nfs/dbraw/zinc/21/45/20/1136214520.db2.gz CXQLXPVVDQICPV-UHFFFAOYSA-N 1 1 334.448 3.719 20 30 EHEDMO C=CC[N@@H+](Cc1csc(-c2ccc(C(=O)OC)cc2)n1)C(C)C ZINC000747812185 1136239000 /nfs/dbraw/zinc/23/90/00/1136239000.db2.gz TVPDALGPSHMHEP-UHFFFAOYSA-N 1 1 330.453 3.993 20 30 EHEDMO C=CC[N@H+](Cc1csc(-c2ccc(C(=O)OC)cc2)n1)C(C)C ZINC000747812185 1136239004 /nfs/dbraw/zinc/23/90/04/1136239004.db2.gz TVPDALGPSHMHEP-UHFFFAOYSA-N 1 1 330.453 3.993 20 30 EHEDMO N#CCCCOc1cccc(C[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000747812037 1136239499 /nfs/dbraw/zinc/23/94/99/1136239499.db2.gz OOTXMYKKMQRSOI-UHFFFAOYSA-N 1 1 341.480 3.994 20 30 EHEDMO N#Cc1ccccc1N1CC[NH+](Cc2c[nH]c3c2cccc3F)CC1 ZINC001137049868 1136366420 /nfs/dbraw/zinc/36/64/20/1136366420.db2.gz FECPPBXYHXYRSO-UHFFFAOYSA-N 1 1 334.398 3.501 20 30 EHEDMO C[C@H](C#N)C[N@H+](C)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000851744649 1136404506 /nfs/dbraw/zinc/40/45/06/1136404506.db2.gz KZVYPZNPGBFIQW-OAHLLOKOSA-N 1 1 343.471 3.571 20 30 EHEDMO C[C@H](C#N)C[N@@H+](C)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000851744649 1136404507 /nfs/dbraw/zinc/40/45/07/1136404507.db2.gz KZVYPZNPGBFIQW-OAHLLOKOSA-N 1 1 343.471 3.571 20 30 EHEDMO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](c3ccc(CC)cc3)C2)c1=S ZINC000814224668 1136425807 /nfs/dbraw/zinc/42/58/07/1136425807.db2.gz JWMCTDMGZZXPBM-GOSISDBHSA-N 1 1 342.512 3.918 20 30 EHEDMO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](c3ccc(CC)cc3)C2)c1=S ZINC000814224668 1136425809 /nfs/dbraw/zinc/42/58/09/1136425809.db2.gz JWMCTDMGZZXPBM-GOSISDBHSA-N 1 1 342.512 3.918 20 30 EHEDMO C[N@@H+](CCCCC(C)(C)C#N)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852307562 1136447143 /nfs/dbraw/zinc/44/71/43/1136447143.db2.gz ZAACPZNOIBYKAY-UHFFFAOYSA-N 1 1 325.497 3.942 20 30 EHEDMO C[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)[C@H]1CNC(=O)OC(C)(C)C ZINC000747967066 1136487585 /nfs/dbraw/zinc/48/75/85/1136487585.db2.gz IGSYKGIUQPKQBI-YJBOKZPZSA-N 1 1 343.471 3.683 20 30 EHEDMO C#Cc1cccnc1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000853399570 1136531074 /nfs/dbraw/zinc/53/10/74/1136531074.db2.gz SWPQROIDOGZHII-QFIPXVFZSA-N 1 1 331.463 3.555 20 30 EHEDMO CN(CCC#N)c1ccc(C[NH2+]Cc2c(F)cc(F)cc2F)cc1 ZINC000815151387 1136557330 /nfs/dbraw/zinc/55/73/30/1136557330.db2.gz FAQXKWXOLNDEAS-UHFFFAOYSA-N 1 1 333.357 3.744 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)c1ccc(C#N)s1 ZINC000816453720 1136717004 /nfs/dbraw/zinc/71/70/04/1136717004.db2.gz UAXAPMYCEAGMEW-YOEHRIQHSA-N 1 1 340.448 3.687 20 30 EHEDMO Cc1oc(C#N)cc1C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000816451871 1136722178 /nfs/dbraw/zinc/72/21/78/1136722178.db2.gz SQBDXXAIPRJTBU-LIRRHRJNSA-N 1 1 338.407 3.527 20 30 EHEDMO CCC[N@@H+]1Cc2cccc(NC(=O)Cc3ccccc3CC#N)c2C1 ZINC000776885465 1136782930 /nfs/dbraw/zinc/78/29/30/1136782930.db2.gz XBAUKHCIAOODGN-UHFFFAOYSA-N 1 1 333.435 3.659 20 30 EHEDMO CCC[N@H+]1Cc2cccc(NC(=O)Cc3ccccc3CC#N)c2C1 ZINC000776885465 1136782932 /nfs/dbraw/zinc/78/29/32/1136782932.db2.gz XBAUKHCIAOODGN-UHFFFAOYSA-N 1 1 333.435 3.659 20 30 EHEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001170882515 1136844509 /nfs/dbraw/zinc/84/45/09/1136844509.db2.gz SXZPJMZKYMQHTD-YJBOKZPZSA-N 1 1 343.471 3.541 20 30 EHEDMO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C2 ZINC000857877670 1136917462 /nfs/dbraw/zinc/91/74/62/1136917462.db2.gz HVJKQYHITFZWEJ-UHFFFAOYSA-N 1 1 349.482 3.508 20 30 EHEDMO CC(C)c1ncc2c(n1)CC[N@H+](Cc1ccc(N(C)CCC#N)cc1)C2 ZINC000857877670 1136917464 /nfs/dbraw/zinc/91/74/64/1136917464.db2.gz HVJKQYHITFZWEJ-UHFFFAOYSA-N 1 1 349.482 3.508 20 30 EHEDMO Cc1ccc(O[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)nc1 ZINC000858037530 1136934474 /nfs/dbraw/zinc/93/44/74/1136934474.db2.gz WCEZEPBTNLOOCE-SFHVURJKSA-N 1 1 326.827 3.548 20 30 EHEDMO Cc1ccc(O[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)nc1 ZINC000858037530 1136934476 /nfs/dbraw/zinc/93/44/76/1136934476.db2.gz WCEZEPBTNLOOCE-SFHVURJKSA-N 1 1 326.827 3.548 20 30 EHEDMO Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3Cl)C2)nc1 ZINC000858039536 1136934583 /nfs/dbraw/zinc/93/45/83/1136934583.db2.gz CWIQPJAAPRWOQW-MRXNPFEDSA-N 1 1 327.815 3.568 20 30 EHEDMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)nc1 ZINC000858039536 1136934586 /nfs/dbraw/zinc/93/45/86/1136934586.db2.gz CWIQPJAAPRWOQW-MRXNPFEDSA-N 1 1 327.815 3.568 20 30 EHEDMO Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1C#N ZINC000858052408 1136936193 /nfs/dbraw/zinc/93/61/93/1136936193.db2.gz WVMQTKAEXMNQDW-HXUWFJFHSA-N 1 1 333.435 3.792 20 30 EHEDMO C=C(CCC(=O)OC)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001136271120 1136961519 /nfs/dbraw/zinc/96/15/19/1136961519.db2.gz OMKRTVIRHIRSCB-INIZCTEOSA-N 1 1 344.455 3.509 20 30 EHEDMO Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1C#N ZINC000859107369 1137003467 /nfs/dbraw/zinc/00/34/67/1137003467.db2.gz HLPCWHQHPOYNEE-KRWDZBQOSA-N 1 1 343.471 3.603 20 30 EHEDMO C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccns1 ZINC000860056927 1137042691 /nfs/dbraw/zinc/04/26/91/1137042691.db2.gz JWGXZOLBASFQSK-NSHDSACASA-N 1 1 326.343 3.744 20 30 EHEDMO C=C[C@H](C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC001136515836 1137044445 /nfs/dbraw/zinc/04/44/45/1137044445.db2.gz AQTZQVAWCSLJSA-UTKZUKDTSA-N 1 1 334.463 3.519 20 30 EHEDMO CC[C@@](C)(C(=O)OC)[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)CC1CC1 ZINC000822504327 1137063502 /nfs/dbraw/zinc/06/35/02/1137063502.db2.gz RXKBEKBYHNIDNJ-QRWLVFNGSA-N 1 1 344.455 3.531 20 30 EHEDMO N#CCCC[C@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)c(F)c2)no1 ZINC000822717678 1137069774 /nfs/dbraw/zinc/06/97/74/1137069774.db2.gz MIECCMRFSGSKDC-NSHDSACASA-N 1 1 328.269 3.588 20 30 EHEDMO C[C@@H](c1noc([C@H]([NH3+])CCCC#N)n1)c1ccc(Br)cc1 ZINC000822996939 1137082715 /nfs/dbraw/zinc/08/27/15/1137082715.db2.gz RUDUSPHAVRGETE-ZWNOBZJWSA-N 1 1 349.232 3.678 20 30 EHEDMO CC(C)(Cc1ccc(Cl)cc1)c1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000823269628 1137092390 /nfs/dbraw/zinc/09/23/90/1137092390.db2.gz JNHKOARVDWJVDD-AWEZNQCLSA-N 1 1 332.835 3.937 20 30 EHEDMO Cc1ccn2c(C[NH+]3CCC(C#N)(c4ccccc4)CC3)cnc2c1 ZINC001136885344 1137142022 /nfs/dbraw/zinc/14/20/22/1137142022.db2.gz QTUXTFZCBBZCGK-UHFFFAOYSA-N 1 1 330.435 3.700 20 30 EHEDMO C#CC[C@H]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000862564791 1137150486 /nfs/dbraw/zinc/15/04/86/1137150486.db2.gz HYOMMCBTLVNYNP-IBGZPJMESA-N 1 1 346.474 3.804 20 30 EHEDMO COC(=O)C1(C#N)CC[NH+](Cc2ccc(-c3ccc(C)cc3)o2)CC1 ZINC000824866443 1137155131 /nfs/dbraw/zinc/15/51/31/1137155131.db2.gz CCXZTCSDQLGOJH-UHFFFAOYSA-N 1 1 338.407 3.534 20 30 EHEDMO COC(=O)C1(C#N)CC[NH+](Cc2cccc(-c3ccc(C)cc3)c2)CC1 ZINC000824866742 1137155280 /nfs/dbraw/zinc/15/52/80/1137155280.db2.gz HNSQIOGJZQJBCZ-UHFFFAOYSA-N 1 1 348.446 3.941 20 30 EHEDMO C=CCOCC[N@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000339060961 1137196616 /nfs/dbraw/zinc/19/66/16/1137196616.db2.gz UOOGJMVYAUQALU-SFHVURJKSA-N 1 1 329.419 3.945 20 30 EHEDMO C=CCOCC[N@@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000339060961 1137196617 /nfs/dbraw/zinc/19/66/17/1137196617.db2.gz UOOGJMVYAUQALU-SFHVURJKSA-N 1 1 329.419 3.945 20 30 EHEDMO CCc1nc(C(C)C)ccc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370814 1137213195 /nfs/dbraw/zinc/21/31/95/1137213195.db2.gz JUMLQDHEQBIISL-OAQYLSRUSA-N 1 1 337.467 3.804 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)c1F ZINC000844378434 1137217987 /nfs/dbraw/zinc/21/79/87/1137217987.db2.gz ZWGWYTQLIUDBKE-LJQANCHMSA-N 1 1 344.817 3.834 20 30 EHEDMO C[C@@]12CC[N@@H+](Cc3cc(Cl)ccc3OCC#N)C[C@@H]1C2(F)F ZINC000794621627 1137221316 /nfs/dbraw/zinc/22/13/16/1137221316.db2.gz CMTQGRJVUKXIOQ-LSDHHAIUSA-N 1 1 326.774 3.719 20 30 EHEDMO N#Cc1cncc(C[NH+]2CCC(Oc3cccc(Cl)c3)CC2)c1 ZINC001144080257 1137237329 /nfs/dbraw/zinc/23/73/29/1137237329.db2.gz YXQCDSXXJHTHPU-UHFFFAOYSA-N 1 1 327.815 3.650 20 30 EHEDMO N#Cc1ccc(O[C@H]2CC[N@H+]([C@H]3CCc4cc(Cl)ccc43)C2)nc1 ZINC000794834282 1137271096 /nfs/dbraw/zinc/27/10/96/1137271096.db2.gz UOVUYRBRNXDXEW-WMZOPIPTSA-N 1 1 339.826 3.747 20 30 EHEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cccc(CC)c1)CCO2 ZINC001144322939 1137272329 /nfs/dbraw/zinc/27/23/29/1137272329.db2.gz JLWLYAVZEPEGMR-LEWJYISDSA-N 1 1 329.484 3.823 20 30 EHEDMO C#Cc1ccc(CN2CC[C@@]3(CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001144578717 1137310694 /nfs/dbraw/zinc/31/06/94/1137310694.db2.gz KJDUKGLWGMBZOM-QHCPKHFHSA-N 1 1 330.475 3.908 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CC[C@@]3(CCCN3Cc3ccccc3)C2)cc1 ZINC001144578717 1137310696 /nfs/dbraw/zinc/31/06/96/1137310696.db2.gz KJDUKGLWGMBZOM-QHCPKHFHSA-N 1 1 330.475 3.908 20 30 EHEDMO C#Cc1ccc(C[N@H+]2CC[C@@]3(CCCN3Cc3ccccc3)C2)cc1 ZINC001144578717 1137310697 /nfs/dbraw/zinc/31/06/97/1137310697.db2.gz KJDUKGLWGMBZOM-QHCPKHFHSA-N 1 1 330.475 3.908 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)CC[C@H]2C)cc1 ZINC001144568342 1137311458 /nfs/dbraw/zinc/31/14/58/1137311458.db2.gz RJPYOPXZTSJDQB-APWZRJJASA-N 1 1 342.483 3.793 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001171202216 1137318751 /nfs/dbraw/zinc/31/87/51/1137318751.db2.gz AADVQPPOMYRPBB-VBQJREDUSA-N 1 1 340.389 3.515 20 30 EHEDMO Cc1nc2ccc(C[N@@H+](C)C[C@@H](O)c3cccc(C#N)c3)cc2s1 ZINC000846006705 1137325170 /nfs/dbraw/zinc/32/51/70/1137325170.db2.gz KNZMTFNIBZOFHS-GOSISDBHSA-N 1 1 337.448 3.642 20 30 EHEDMO C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1[O-] ZINC000866212381 1137335629 /nfs/dbraw/zinc/33/56/29/1137335629.db2.gz FNOIWZBJXOQLSY-INIZCTEOSA-N 1 1 335.451 3.579 20 30 EHEDMO COc1cc(F)c([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cc1OC ZINC000866266614 1137340793 /nfs/dbraw/zinc/34/07/93/1137340793.db2.gz LRPXTWGIEUOMIO-VXGBXAGGSA-N 1 1 344.386 3.832 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001171221121 1137346910 /nfs/dbraw/zinc/34/69/10/1137346910.db2.gz IJCOSICWOWWARK-WIYYLYMNSA-N 1 1 325.500 3.830 20 30 EHEDMO CCCc1noc([C@H]2CCC[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)n1 ZINC001171224203 1137349080 /nfs/dbraw/zinc/34/90/80/1137349080.db2.gz PUDFKCAKNQXNRA-YJBOKZPZSA-N 1 1 338.455 3.704 20 30 EHEDMO C=CCCCCCCCCC(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001144795235 1137349166 /nfs/dbraw/zinc/34/91/66/1137349166.db2.gz CFERDVBTINBEJP-BGYRXZFFSA-N 1 1 348.531 3.615 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000847036416 1137382173 /nfs/dbraw/zinc/38/21/73/1137382173.db2.gz KRMYTGINLUOKPK-QGZVFWFLSA-N 1 1 334.847 3.776 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000847036416 1137382175 /nfs/dbraw/zinc/38/21/75/1137382175.db2.gz KRMYTGINLUOKPK-QGZVFWFLSA-N 1 1 334.847 3.776 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](O)[C@H]2CCc2ccccc2)s1 ZINC000847008237 1137382371 /nfs/dbraw/zinc/38/23/71/1137382371.db2.gz DXGDHOGFZHUOCR-RTBURBONSA-N 1 1 326.465 3.578 20 30 EHEDMO C#C[C@@H]1CCC[N@@H+](Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)C1 ZINC000847026628 1137383477 /nfs/dbraw/zinc/38/34/77/1137383477.db2.gz GCSJEUCDKYYGHI-OAHLLOKOSA-N 1 1 348.406 3.545 20 30 EHEDMO C#C[C@@H]1CCC[N@H+](Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)C1 ZINC000847026628 1137383478 /nfs/dbraw/zinc/38/34/78/1137383478.db2.gz GCSJEUCDKYYGHI-OAHLLOKOSA-N 1 1 348.406 3.545 20 30 EHEDMO CC[C@@H](C)Oc1ccc(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)cc1 ZINC000867955035 1137391085 /nfs/dbraw/zinc/39/10/85/1137391085.db2.gz VNZSSIHNYIOJQV-JLTOFOAXSA-N 1 1 349.434 3.561 20 30 EHEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001171488985 1137491388 /nfs/dbraw/zinc/49/13/88/1137491388.db2.gz BSHAQAIRYUPVLN-GFCCVEGCSA-N 1 1 337.217 3.593 20 30 EHEDMO C=CCc1cc(C)c[nH+]c1NC[C@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC001171521569 1137496325 /nfs/dbraw/zinc/49/63/25/1137496325.db2.gz AKCWSCPZMDGJQG-LJQANCHMSA-N 1 1 349.478 3.969 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H]1CCc3c(C)cccc3C1)C2 ZINC001171572444 1137498915 /nfs/dbraw/zinc/49/89/15/1137498915.db2.gz SLEDTDCQKRUVMP-URVUXULASA-N 1 1 341.495 3.678 20 30 EHEDMO C[C@@H]1C[C@H](N2CCc3ccc(C#N)cc3C2)C[N@H+]1Cc1ccccc1 ZINC001171749117 1137507997 /nfs/dbraw/zinc/50/79/97/1137507997.db2.gz HRJRXLIYJMPOLB-VGSWGCGISA-N 1 1 331.463 3.579 20 30 EHEDMO N#Cc1cccc(O[C@@H]2CCC[N@H+]([C@H]3Cc4cccc(F)c4C3)C2)c1 ZINC001171806746 1137513816 /nfs/dbraw/zinc/51/38/16/1137513816.db2.gz JXGJARNOZLBIMY-PKOBYXMFSA-N 1 1 336.410 3.708 20 30 EHEDMO C=CC[C@H]1CCC[N@H+](CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001171847773 1137515689 /nfs/dbraw/zinc/51/56/89/1137515689.db2.gz SAVHEKNUJBXVFM-GJZGRUSLSA-N 1 1 336.426 3.772 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCC[C@H](CC#N)C2)CC12CCC2 ZINC001171858992 1137516328 /nfs/dbraw/zinc/51/63/28/1137516328.db2.gz WAPIIIHDZAXDCB-IAGOWNOFSA-N 1 1 347.503 3.934 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@](C)(C#N)C2)CC12CCC2 ZINC001171862470 1137516424 /nfs/dbraw/zinc/51/64/24/1137516424.db2.gz PILPJWIQPUBWGS-MAUKXSAKSA-N 1 1 333.476 3.544 20 30 EHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171904477 1137517699 /nfs/dbraw/zinc/51/76/99/1137517699.db2.gz DXMPPJHDJJMZTM-OAQYLSRUSA-N 1 1 347.462 3.685 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCN(Cc2ccccc2)C[C@H]1C ZINC001172307611 1137545536 /nfs/dbraw/zinc/54/55/36/1137545536.db2.gz OXZHSYNCNKKETL-RBUKOAKNSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001172307611 1137545539 /nfs/dbraw/zinc/54/55/39/1137545539.db2.gz OXZHSYNCNKKETL-RBUKOAKNSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001172307611 1137545541 /nfs/dbraw/zinc/54/55/41/1137545541.db2.gz OXZHSYNCNKKETL-RBUKOAKNSA-N 1 1 333.479 3.696 20 30 EHEDMO CCOC(=O)[C@@]1(C)CCCC[N@H+]([C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172314271 1137546682 /nfs/dbraw/zinc/54/66/82/1137546682.db2.gz IJRUEWQZHIBYIT-JXFKEZNVSA-N 1 1 328.456 3.545 20 30 EHEDMO CC(C)c1noc([C@@H]2CCC[N@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)n1 ZINC001172319340 1137546909 /nfs/dbraw/zinc/54/69/09/1137546909.db2.gz MYYKIBHYRTYYCR-CRAIPNDOSA-N 1 1 338.455 3.875 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC001172319714 1137546948 /nfs/dbraw/zinc/54/69/48/1137546948.db2.gz PZUBAQIPOUDXSJ-KRWDZBQOSA-N 1 1 342.446 3.733 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@H]2CN(C(C)=O)CCO[C@@H]2C1 ZINC001172356028 1137554314 /nfs/dbraw/zinc/55/43/14/1137554314.db2.gz GBSIUVYTXAOGSZ-VAMGGRTRSA-N 1 1 338.536 3.695 20 30 EHEDMO N#CCc1ccc(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)cc1 ZINC000876204984 1137646171 /nfs/dbraw/zinc/64/61/71/1137646171.db2.gz HUDHCVULTGVXAA-LJQANCHMSA-N 1 1 340.471 3.671 20 30 EHEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(C#N)ccc2N(C)C)s1 ZINC000876715142 1137659636 /nfs/dbraw/zinc/65/96/36/1137659636.db2.gz JMNQBMJDSBQNNJ-ZDUSSCGKSA-N 1 1 328.485 3.891 20 30 EHEDMO Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(OCC#N)cc3)C2)cc1 ZINC001137119378 1137674747 /nfs/dbraw/zinc/67/47/47/1137674747.db2.gz KLFJIJIHMBKYRD-OAQYLSRUSA-N 1 1 336.435 3.941 20 30 EHEDMO C=CC[C@H]1CC[N@H+](Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC000877651367 1137684381 /nfs/dbraw/zinc/68/43/81/1137684381.db2.gz XCYWRQGMXRTVBL-AWEZNQCLSA-N 1 1 349.475 3.832 20 30 EHEDMO N#CC1(c2ccc(C[N@@H+]3Cc4cccnc4N4CCC[C@@H]4C3)cc2)CC1 ZINC000877714434 1137686765 /nfs/dbraw/zinc/68/67/65/1137686765.db2.gz WRMCGEPQSMVDHB-HXUWFJFHSA-N 1 1 344.462 3.621 20 30 EHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCC2(CCOCC2)O1 ZINC000878011400 1137699470 /nfs/dbraw/zinc/69/94/70/1137699470.db2.gz ZUIFOGFOBTVDGV-FQEVSTJZSA-N 1 1 342.483 3.744 20 30 EHEDMO Cc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)nc1Cl ZINC000878052394 1137700859 /nfs/dbraw/zinc/70/08/59/1137700859.db2.gz ZOKHVLSHYJGPLJ-UHFFFAOYSA-N 1 1 341.842 3.959 20 30 EHEDMO Cc1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)nc1Cl ZINC000878055542 1137700871 /nfs/dbraw/zinc/70/08/71/1137700871.db2.gz IPPGWBZYULACFW-UHFFFAOYSA-N 1 1 341.842 3.959 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@H]1CCc2ccccc2C1)c1ccccc1 ZINC000878105312 1137702671 /nfs/dbraw/zinc/70/26/71/1137702671.db2.gz AISAIXKTFTXNOH-GOTSBHOMSA-N 1 1 346.474 3.916 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCCc2ccccc2CC1)c1ccccc1 ZINC000878682032 1137724704 /nfs/dbraw/zinc/72/47/04/1137724704.db2.gz JCOUGZCBKBSNKQ-QHCPKHFHSA-N 1 1 346.474 3.918 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@@H](OCCC(C)C)C1)c1ccccc1 ZINC000879012646 1137735179 /nfs/dbraw/zinc/73/51/79/1137735179.db2.gz AXSYEDANXMJJFU-RTWAWAEBSA-N 1 1 342.483 3.564 20 30 EHEDMO Fc1ccc(C#CC[NH+]2CCC(c3nc(C4CCC4)no3)CC2)cc1 ZINC000879552408 1137750596 /nfs/dbraw/zinc/75/05/96/1137750596.db2.gz WUSILZQUIKPKSZ-UHFFFAOYSA-N 1 1 339.414 3.707 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCCC(C)(C)C#N ZINC000879755795 1137758217 /nfs/dbraw/zinc/75/82/17/1137758217.db2.gz WQVCGSKCPOHKEJ-JKSUJKDBSA-N 1 1 335.492 3.790 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCSC[C@@H]2c2ccccc2)cc1 ZINC000880386854 1137777485 /nfs/dbraw/zinc/77/74/85/1137777485.db2.gz ASQFLACBQQTYDP-WOJBJXKFSA-N 1 1 338.476 3.772 20 30 EHEDMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)CCCCC#N ZINC000881987158 1137818279 /nfs/dbraw/zinc/81/82/79/1137818279.db2.gz ZQIQHLFRTRVWHF-IBGZPJMESA-N 1 1 327.472 3.583 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCN(c3ccccc3)CC2)cc1 ZINC000130775287 1137842023 /nfs/dbraw/zinc/84/20/23/1137842023.db2.gz ZKWKETGUDHEIPD-UHFFFAOYSA-N 1 1 348.494 3.749 20 30 EHEDMO COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1nc(C#N)cs1)CCCC2 ZINC000883346509 1137856395 /nfs/dbraw/zinc/85/63/95/1137856395.db2.gz BBNZJKKNQXGXDM-HNNXBMFYSA-N 1 1 343.452 3.589 20 30 EHEDMO C=CCCC[C@@H](NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000883858942 1137875516 /nfs/dbraw/zinc/87/55/16/1137875516.db2.gz XTEBGMQFBSUAQL-CTNGQTDRSA-N 1 1 341.499 3.821 20 30 EHEDMO CCS[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000331427107 1137907969 /nfs/dbraw/zinc/90/79/69/1137907969.db2.gz CBFNOSXQBJNNIZ-UKRRQHHQSA-N 1 1 349.500 3.703 20 30 EHEDMO CCS[C@@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000331427107 1137907970 /nfs/dbraw/zinc/90/79/70/1137907970.db2.gz CBFNOSXQBJNNIZ-UKRRQHHQSA-N 1 1 349.500 3.703 20 30 EHEDMO CC[N@@H+](Cc1cn(C)nc1-c1cccnc1)[C@H](C)c1ccc(C#N)cc1 ZINC000119857943 1137944933 /nfs/dbraw/zinc/94/49/33/1137944933.db2.gz NZAXQKCBOJIRNM-MRXNPFEDSA-N 1 1 345.450 3.937 20 30 EHEDMO C=CC[C@@H](CC)NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000884317916 1137947926 /nfs/dbraw/zinc/94/79/26/1137947926.db2.gz GZFIYSKIBQTGLD-XUVXKRRUSA-N 1 1 341.499 3.505 20 30 EHEDMO Cc1[nH]c2ccc(Nc3c(C#N)cnnc3-c3ccccc3)cc2[nH+]1 ZINC001213072176 1137960686 /nfs/dbraw/zinc/96/06/86/1137960686.db2.gz GLWAWNKKUUZMFX-UHFFFAOYSA-N 1 1 326.363 3.944 20 30 EHEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CCC1 ZINC000886296948 1138065476 /nfs/dbraw/zinc/06/54/76/1138065476.db2.gz FMWIFDDQQRBWKX-HOTGVXAUSA-N 1 1 334.410 3.589 20 30 EHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CCC1 ZINC000886296950 1138065489 /nfs/dbraw/zinc/06/54/89/1138065489.db2.gz FMWIFDDQQRBWKX-JKSUJKDBSA-N 1 1 334.410 3.589 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2csc(-c3cccc(OC)c3OC)n2)C1 ZINC000886355074 1138070320 /nfs/dbraw/zinc/07/03/20/1138070320.db2.gz BTRIRTUZJMUASF-CQSZACIVSA-N 1 1 342.464 3.673 20 30 EHEDMO C#CC[C@H]1CC[N@@H+](Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C1 ZINC000886359355 1138070482 /nfs/dbraw/zinc/07/04/82/1138070482.db2.gz AZEREIUPMUAXBK-AWEZNQCLSA-N 1 1 349.459 3.909 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C1 ZINC000886359355 1138070483 /nfs/dbraw/zinc/07/04/83/1138070483.db2.gz AZEREIUPMUAXBK-AWEZNQCLSA-N 1 1 349.459 3.909 20 30 EHEDMO CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(OC)cc1 ZINC000075640600 1138128679 /nfs/dbraw/zinc/12/86/79/1138128679.db2.gz NWGJFBWJFCQQBX-UHFFFAOYSA-N 1 1 348.406 3.639 20 30 EHEDMO CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(OC)cc1 ZINC000075640600 1138128681 /nfs/dbraw/zinc/12/86/81/1138128681.db2.gz NWGJFBWJFCQQBX-UHFFFAOYSA-N 1 1 348.406 3.639 20 30 EHEDMO CCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1O ZINC000076073935 1138129639 /nfs/dbraw/zinc/12/96/39/1138129639.db2.gz APRWCSYNAHFCGI-UHFFFAOYSA-N 1 1 348.406 3.726 20 30 EHEDMO C=CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000886759885 1138133803 /nfs/dbraw/zinc/13/38/03/1138133803.db2.gz RZSKWPQLMJHZTL-MRXNPFEDSA-N 1 1 330.472 3.540 20 30 EHEDMO C=CCC1(O)CC[NH+]([C@@H](C)c2nc(-c3ccccc3C)no2)CC1 ZINC000886766544 1138136036 /nfs/dbraw/zinc/13/60/36/1138136036.db2.gz LTQQRXQBADECRT-HNNXBMFYSA-N 1 1 327.428 3.509 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000080908061 1138164856 /nfs/dbraw/zinc/16/48/56/1138164856.db2.gz NNEFMVSWTYJCKD-UWJYYQICSA-N 1 1 330.435 3.502 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@H]2CC2(O)CCCCC2)cc1 ZINC000887036800 1138188174 /nfs/dbraw/zinc/18/81/74/1138188174.db2.gz NTOMALNSQGECTJ-PMACEKPBSA-N 1 1 342.483 3.531 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000091631340 1138220674 /nfs/dbraw/zinc/22/06/74/1138220674.db2.gz GZTOJKJWBZYMLH-QGZVFWFLSA-N 1 1 349.482 3.794 20 30 EHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000126605389 1138333842 /nfs/dbraw/zinc/33/38/42/1138333842.db2.gz WOOSOJSTCMBJGY-KGLIPLIRSA-N 1 1 349.500 3.745 20 30 EHEDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C2(C#N)CCC2)c1 ZINC000127217232 1138350248 /nfs/dbraw/zinc/35/02/48/1138350248.db2.gz YHOZTVUATOMOAA-UHFFFAOYSA-N 1 1 327.472 3.619 20 30 EHEDMO C=CC[N@H+](CCCC1(C#N)CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000337145252 1138478760 /nfs/dbraw/zinc/47/87/60/1138478760.db2.gz XJCKAGQSYOWGQY-UHFFFAOYSA-N 1 1 343.427 3.683 20 30 EHEDMO C=C1CC[NH+](Cc2cc(=O)oc3cc(NC(=O)OCC)ccc23)CC1 ZINC000264467107 1138525776 /nfs/dbraw/zinc/52/57/76/1138525776.db2.gz MGHUMRWXILNLEH-UHFFFAOYSA-N 1 1 342.395 3.513 20 30 EHEDMO CCCCCCCCCCC[C@@H](O)CC(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001274144608 1138663773 /nfs/dbraw/zinc/66/37/73/1138663773.db2.gz OSLIKARGTLPRLE-GOSISDBHSA-N 1 1 338.536 3.575 20 30 EHEDMO CCCCCCCCCCC[C@@H](O)CC(=O)N1CC2(CC[N@H+]2C)C1 ZINC001274144608 1138663775 /nfs/dbraw/zinc/66/37/75/1138663775.db2.gz OSLIKARGTLPRLE-GOSISDBHSA-N 1 1 338.536 3.575 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000135136579 1138728493 /nfs/dbraw/zinc/72/84/93/1138728493.db2.gz BSYVSKVOONJZCW-HXUWFJFHSA-N 1 1 347.462 3.551 20 30 EHEDMO CC(C)CC[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000338209340 1138788489 /nfs/dbraw/zinc/78/84/89/1138788489.db2.gz UYQPJEUWTNMNHC-SFHVURJKSA-N 1 1 348.512 3.623 20 30 EHEDMO CC(C)CC[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000338209340 1138788492 /nfs/dbraw/zinc/78/84/92/1138788492.db2.gz UYQPJEUWTNMNHC-SFHVURJKSA-N 1 1 348.512 3.623 20 30 EHEDMO CCOC(=O)C1CCC([N@@H+](CC)Cc2cccc(C#N)c2F)CC1 ZINC000338370673 1138865319 /nfs/dbraw/zinc/86/53/19/1138865319.db2.gz YCSMSFSMKRURHS-UHFFFAOYSA-N 1 1 332.419 3.641 20 30 EHEDMO Clc1cccc(C#CC[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000152173567 1139077004 /nfs/dbraw/zinc/07/70/04/1139077004.db2.gz KJVUXOWCKLTVSO-INIZCTEOSA-N 1 1 340.858 3.567 20 30 EHEDMO CCc1cccc(NC(=[NH2+])NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000104155688 1139196606 /nfs/dbraw/zinc/19/66/06/1139196606.db2.gz ACSJBQWILHFRSH-KRWDZBQOSA-N 1 1 342.512 3.874 20 30 EHEDMO CC1CC[NH+]([C@@H](CNCc2ccc(C#N)o2)c2cccs2)CC1 ZINC000174240032 1139408331 /nfs/dbraw/zinc/40/83/31/1139408331.db2.gz RBGZHXNBQPCNJZ-KRWDZBQOSA-N 1 1 329.469 3.776 20 30 EHEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNCc3ccc(C#N)o3)cc2)C1 ZINC000174273949 1139410842 /nfs/dbraw/zinc/41/08/42/1139410842.db2.gz JQCIXJJQYQSOEM-CALCHBBNSA-N 1 1 337.467 3.919 20 30 EHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(-n2ccnc2)nc1 ZINC000177064583 1139595390 /nfs/dbraw/zinc/59/53/90/1139595390.db2.gz GHJNWIFTNAPXIS-UHFFFAOYSA-N 1 1 331.423 3.550 20 30 EHEDMO C=C[C@@H](CC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000179523064 1139763362 /nfs/dbraw/zinc/76/33/62/1139763362.db2.gz RWXLUMHPAKXRFO-SFHVURJKSA-N 1 1 326.484 3.823 20 30 EHEDMO C=CCC[C@H](NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)c1ccccc1 ZINC000183347894 1140031461 /nfs/dbraw/zinc/03/14/61/1140031461.db2.gz XBMVMCHSBRDBOL-HSALFYBXSA-N 1 1 341.499 3.820 20 30 EHEDMO COc1cccc(O)c1/C=N/C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000777402496 1140086840 /nfs/dbraw/zinc/08/68/40/1140086840.db2.gz ZIZHGSCZAPFRJR-XOWGOQOESA-N 1 1 338.451 3.874 20 30 EHEDMO CC[N@@H+](Cc1cc(-c2cnn(C)c2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000184986967 1140129825 /nfs/dbraw/zinc/12/98/25/1140129825.db2.gz CPPUGRMDTCMBAC-AWEZNQCLSA-N 1 1 335.411 3.530 20 30 EHEDMO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1nc(C2CCCCC2)no1 ZINC000185218338 1140139899 /nfs/dbraw/zinc/13/98/99/1140139899.db2.gz YIJUJQZIMJARHS-AWEZNQCLSA-N 1 1 340.427 3.719 20 30 EHEDMO CC[C@@]1(CO)CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000187608360 1140264389 /nfs/dbraw/zinc/26/43/89/1140264389.db2.gz QVWUTEYTJHCLIM-QGZVFWFLSA-N 1 1 325.374 3.541 20 30 EHEDMO CSc1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000189348106 1140337242 /nfs/dbraw/zinc/33/72/42/1140337242.db2.gz LVEICMUAPSYJDK-CQSZACIVSA-N 1 1 339.464 3.912 20 30 EHEDMO CSc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000189348106 1140337249 /nfs/dbraw/zinc/33/72/49/1140337249.db2.gz LVEICMUAPSYJDK-CQSZACIVSA-N 1 1 339.464 3.912 20 30 EHEDMO CC[N@H+](Cc1nccc(OC)c1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000190425519 1140403586 /nfs/dbraw/zinc/40/35/86/1140403586.db2.gz BMIZEZNXQKEVRQ-AWEZNQCLSA-N 1 1 325.412 3.554 20 30 EHEDMO CC[N@@H+](Cc1nccc(OC)c1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000190425519 1140403589 /nfs/dbraw/zinc/40/35/89/1140403589.db2.gz BMIZEZNXQKEVRQ-AWEZNQCLSA-N 1 1 325.412 3.554 20 30 EHEDMO C[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCS1 ZINC000190688001 1140414693 /nfs/dbraw/zinc/41/46/93/1140414693.db2.gz YUHYMTGNNUTIDI-INIZCTEOSA-N 1 1 340.496 3.791 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccnc(C#N)c2)cc1 ZINC000192745193 1140548187 /nfs/dbraw/zinc/54/81/87/1140548187.db2.gz VUQGVMSFPFMIHI-OAHLLOKOSA-N 1 1 334.423 3.580 20 30 EHEDMO C[C@@H](c1cccc(NCc2cc(C#N)ccc2F)c1)[NH+]1CCOCC1 ZINC000267169364 1140764624 /nfs/dbraw/zinc/76/46/24/1140764624.db2.gz BWTBMKHCUCGZAO-HNNXBMFYSA-N 1 1 339.414 3.703 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cccs1 ZINC000268803617 1140995571 /nfs/dbraw/zinc/99/55/71/1140995571.db2.gz PUYYYNFYNAMODD-HNNXBMFYSA-N 1 1 327.453 3.515 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cccs1 ZINC000268803617 1140995577 /nfs/dbraw/zinc/99/55/77/1140995577.db2.gz PUYYYNFYNAMODD-HNNXBMFYSA-N 1 1 327.453 3.515 20 30 EHEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2csc([C@@H](C)OC)n2)cc1 ZINC000269106468 1141066472 /nfs/dbraw/zinc/06/64/72/1141066472.db2.gz VAGBKQMBTGBMDK-ZIAGYGMSSA-N 1 1 330.453 3.713 20 30 EHEDMO CC(C)Oc1ccc(NC(=O)c2sccc2C[NH+](C)C)cc1C#N ZINC000269620158 1141129066 /nfs/dbraw/zinc/12/90/66/1141129066.db2.gz UEGUAXGAXMOPHL-UHFFFAOYSA-N 1 1 343.452 3.721 20 30 EHEDMO COc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1C#N ZINC000269722307 1141138233 /nfs/dbraw/zinc/13/82/33/1141138233.db2.gz UTNYCASIOHMZSP-IAGOWNOFSA-N 1 1 342.464 3.716 20 30 EHEDMO COc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1C#N ZINC000269722309 1141138669 /nfs/dbraw/zinc/13/86/69/1141138669.db2.gz UTNYCASIOHMZSP-SJORKVTESA-N 1 1 342.464 3.716 20 30 EHEDMO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OCC ZINC000270140628 1141184018 /nfs/dbraw/zinc/18/40/18/1141184018.db2.gz GDOHJJXBEZOUTC-IHPCNDPISA-N 1 1 344.499 3.527 20 30 EHEDMO CC[N@@H+](CCc1cccs1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000270780035 1141270457 /nfs/dbraw/zinc/27/04/57/1141270457.db2.gz OKDCVGIVGJOJCS-ZDUSSCGKSA-N 1 1 345.468 3.721 20 30 EHEDMO C=CC[N@@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C1CC1 ZINC000271467635 1141374653 /nfs/dbraw/zinc/37/46/53/1141374653.db2.gz QTLHOKJTJXOMLB-CQSZACIVSA-N 1 1 329.469 3.670 20 30 EHEDMO C=CC[N@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C1CC1 ZINC000271467635 1141374658 /nfs/dbraw/zinc/37/46/58/1141374658.db2.gz QTLHOKJTJXOMLB-CQSZACIVSA-N 1 1 329.469 3.670 20 30 EHEDMO Cc1cc([C@H]2CCC[N@H+]2CCOCCC#N)ccc1Br ZINC000339150512 1141510539 /nfs/dbraw/zinc/51/05/39/1141510539.db2.gz TYAKUDZNYDEMSX-MRXNPFEDSA-N 1 1 337.261 3.825 20 30 EHEDMO N#CC1(NC(=O)C[N@@H+]2CCCCC[C@H]2c2ccco2)CCCCC1 ZINC000078830340 217130899 /nfs/dbraw/zinc/13/08/99/217130899.db2.gz GQSIVYPKIPIUBR-INIZCTEOSA-N 1 1 329.444 3.539 20 30 EHEDMO N#CC1(NC(=O)C[N@H+]2CCCCC[C@H]2c2ccco2)CCCCC1 ZINC000078830340 217130902 /nfs/dbraw/zinc/13/09/02/217130902.db2.gz GQSIVYPKIPIUBR-INIZCTEOSA-N 1 1 329.444 3.539 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000339374812 1014292817 /nfs/dbraw/zinc/29/28/17/1014292817.db2.gz HRDZKIZWIYNSFX-MRXNPFEDSA-N 1 1 337.398 3.515 20 30 EHEDMO N#Cc1ccc(C[N@@H+](Cc2cccc3c2OCCCO3)C2CC2)cc1 ZINC000339406404 1014366313 /nfs/dbraw/zinc/36/63/13/1014366313.db2.gz HHWRZDRHAMXQIT-UHFFFAOYSA-N 1 1 334.419 3.884 20 30 EHEDMO C=CC[C@H](C(=O)OC)[NH+]1CCC(Oc2ccc(C(C)C)cc2)CC1 ZINC001167049958 1014415688 /nfs/dbraw/zinc/41/56/88/1014415688.db2.gz ULXBVQVDUDGGSX-LJQANCHMSA-N 1 1 331.456 3.771 20 30 EHEDMO C[N@@H+](CCOc1ccccc1C#N)[C@H]1CCCN(c2ccccc2)C1 ZINC000471167683 1015207306 /nfs/dbraw/zinc/20/73/06/1015207306.db2.gz FUEAKXJLPOCCMG-FQEVSTJZSA-N 1 1 335.451 3.538 20 30 EHEDMO CC1=C[C@H](C)C[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000430274643 1015706120 /nfs/dbraw/zinc/70/61/20/1015706120.db2.gz FHCXLYIEIMMQGJ-HOCLYGCPSA-N 1 1 343.496 3.775 20 30 EHEDMO CC1=C[C@H](C)C[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000430274643 1015706127 /nfs/dbraw/zinc/70/61/27/1015706127.db2.gz FHCXLYIEIMMQGJ-HOCLYGCPSA-N 1 1 343.496 3.775 20 30 EHEDMO CC(C)[C@H]1C[N@H+](Cc2cc(C#N)ccc2Br)CCCO1 ZINC000339831592 1015714487 /nfs/dbraw/zinc/71/44/87/1015714487.db2.gz VNVXLFUCWUQOIN-MRXNPFEDSA-N 1 1 337.261 3.568 20 30 EHEDMO CC(C)[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)CCCO1 ZINC000339831592 1015714497 /nfs/dbraw/zinc/71/44/97/1015714497.db2.gz VNVXLFUCWUQOIN-MRXNPFEDSA-N 1 1 337.261 3.568 20 30 EHEDMO Cn1c(C[NH2+]Cc2cccc(C#N)c2)nc2cc(C(F)(F)F)ccc21 ZINC000130491859 1032133275 /nfs/dbraw/zinc/13/32/75/1032133275.db2.gz XZUARJJHZLYOTM-UHFFFAOYSA-N 1 1 344.340 3.754 20 30 EHEDMO C=CC[N@H+](CC(=O)N(C)C1CCC(C)CC1)Cc1ccc(OC)cc1 ZINC000339947951 1016020415 /nfs/dbraw/zinc/02/04/15/1016020415.db2.gz QBWOZKHJEHSWJA-UHFFFAOYSA-N 1 1 344.499 3.720 20 30 EHEDMO C=CC[N@@H+](CC(=O)N(C)C1CCC(C)CC1)Cc1ccc(OC)cc1 ZINC000339947951 1016020422 /nfs/dbraw/zinc/02/04/22/1016020422.db2.gz QBWOZKHJEHSWJA-UHFFFAOYSA-N 1 1 344.499 3.720 20 30 EHEDMO C=CCCCCC[N@@H+]1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001209422775 1016240923 /nfs/dbraw/zinc/24/09/23/1016240923.db2.gz IFCIPZDJNFGYOX-SFHVURJKSA-N 1 1 340.471 3.535 20 30 EHEDMO C[C@H]1CC[N@@H+](C)CCN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000536682722 1032146878 /nfs/dbraw/zinc/14/68/78/1032146878.db2.gz FDHVUKDHPCPUSB-SFHVURJKSA-N 1 1 349.478 3.663 20 30 EHEDMO C[C@H]1CCN(C)CC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000536682722 1032146884 /nfs/dbraw/zinc/14/68/84/1032146884.db2.gz FDHVUKDHPCPUSB-SFHVURJKSA-N 1 1 349.478 3.663 20 30 EHEDMO C[C@H]1CCN(C)CC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000536682722 1032146894 /nfs/dbraw/zinc/14/68/94/1032146894.db2.gz FDHVUKDHPCPUSB-SFHVURJKSA-N 1 1 349.478 3.663 20 30 EHEDMO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H]2c2cccs2)C1=O ZINC000083128463 1016351239 /nfs/dbraw/zinc/35/12/39/1016351239.db2.gz BRQXSUURALDQAB-UONOGXRCSA-N 1 1 343.477 3.624 20 30 EHEDMO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H]2c2cccs2)C1=O ZINC000083128463 1016351248 /nfs/dbraw/zinc/35/12/48/1016351248.db2.gz BRQXSUURALDQAB-UONOGXRCSA-N 1 1 343.477 3.624 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)ccc1OC ZINC000092073911 1016796199 /nfs/dbraw/zinc/79/61/99/1016796199.db2.gz ADVNKEQWWQSDQZ-KRWDZBQOSA-N 1 1 341.455 3.753 20 30 EHEDMO CC[NH+](CC)Cc1ccc(C(O)=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000340363774 1017036816 /nfs/dbraw/zinc/03/68/16/1017036816.db2.gz MFGUWNLYFOLEJK-QGZVFWFLSA-N 1 1 346.434 3.895 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@H](CCC)NC(=O)c2ccccc2)no1 ZINC000904671923 1032190665 /nfs/dbraw/zinc/19/06/65/1032190665.db2.gz BTJBNLKTKOHTNE-CVEARBPZSA-N 1 1 342.443 3.697 20 30 EHEDMO CCOc1cccc([C@H](C)[NH2+]Cc2cccc(C(=O)OC)c2C#N)c1 ZINC000538181310 1032190790 /nfs/dbraw/zinc/19/07/90/1032190790.db2.gz VJHLTEUOPVDRJK-AWEZNQCLSA-N 1 1 338.407 3.594 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(Br)cc2F)no1 ZINC000904691076 1032192739 /nfs/dbraw/zinc/19/27/39/1032192739.db2.gz VUQQNWBVJKXYSM-GFCCVEGCSA-N 1 1 340.196 3.994 20 30 EHEDMO C=CCCC[C@@H](C)[N@H+]1CCCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000537047328 1032502567 /nfs/dbraw/zinc/50/25/67/1032502567.db2.gz DXZJNHQCDLMCAV-QGZVFWFLSA-N 1 1 345.487 3.515 20 30 EHEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000592800765 1032586326 /nfs/dbraw/zinc/58/63/26/1032586326.db2.gz NDCAEYNPSSCKHO-WMZOPIPTSA-N 1 1 338.455 3.948 20 30 EHEDMO C=CCC1(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)CCCC1 ZINC000449497806 1032666768 /nfs/dbraw/zinc/66/67/68/1032666768.db2.gz AQYUIGREMOKWOR-HNNXBMFYSA-N 1 1 332.513 3.747 20 30 EHEDMO C=CCC1(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)CCCC1 ZINC000449497806 1032666773 /nfs/dbraw/zinc/66/67/73/1032666773.db2.gz AQYUIGREMOKWOR-HNNXBMFYSA-N 1 1 332.513 3.747 20 30 EHEDMO CC(C)(C)OC(=O)C[N@@H+](CCCCC(C)(C)C#N)C1CCOCC1 ZINC000593032951 1032670037 /nfs/dbraw/zinc/67/00/37/1032670037.db2.gz KSVOTJPBONQWAR-UHFFFAOYSA-N 1 1 338.492 3.529 20 30 EHEDMO N#Cc1ccsc1NC(=O)C[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000593042096 1032677544 /nfs/dbraw/zinc/67/75/44/1032677544.db2.gz NHRGTBFHKMJENA-UHFFFAOYSA-N 1 1 345.855 3.881 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000275592888 1017410174 /nfs/dbraw/zinc/41/01/74/1017410174.db2.gz KCGBWQUAIHGEKR-RKVPGOIHSA-N 1 1 343.471 3.854 20 30 EHEDMO C=CC[NH+]1CCC(NCc2cn(-c3ccccc3Cl)nc2C)CC1 ZINC000655730763 1017487082 /nfs/dbraw/zinc/48/70/82/1017487082.db2.gz MHOCIBFTWHPRJY-UHFFFAOYSA-N 1 1 344.890 3.574 20 30 EHEDMO C=CCOc1ccc(CNC[C@@H]([NH3+])c2ccccc2CC)cc1OC ZINC000415069763 1017504385 /nfs/dbraw/zinc/50/43/85/1017504385.db2.gz UACNRKMIHPIUNM-LJQANCHMSA-N 1 1 340.467 3.612 20 30 EHEDMO Cc1sc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000602233712 1032724994 /nfs/dbraw/zinc/72/49/94/1032724994.db2.gz XLHMDJXHQLOBQW-MRXNPFEDSA-N 1 1 339.464 3.697 20 30 EHEDMO CC(C)n1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)n1 ZINC000574228116 1032735959 /nfs/dbraw/zinc/73/59/59/1032735959.db2.gz KTBPSRJVXZYWMW-UHFFFAOYSA-N 1 1 348.454 3.531 20 30 EHEDMO CN1CC[NH+](Cc2ccccc2Nc2cc(Cl)cc(C#N)c2)CC1 ZINC001210537972 1018224124 /nfs/dbraw/zinc/22/41/24/1018224124.db2.gz MYPJGURMEBVCLE-UHFFFAOYSA-N 1 1 340.858 3.703 20 30 EHEDMO CCN(CC)C(=O)[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000610343226 1018335122 /nfs/dbraw/zinc/33/51/22/1018335122.db2.gz BFNXEVGHLWFKPK-UZLBHIALSA-N 1 1 335.451 3.819 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000377833795 1018447879 /nfs/dbraw/zinc/44/78/79/1018447879.db2.gz GSDVHTUFXFGMFO-BHIYHBOVSA-N 1 1 328.456 3.616 20 30 EHEDMO O=C(C[C@@H]1CCCCC(=O)N1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000328823540 1018575797 /nfs/dbraw/zinc/57/57/97/1018575797.db2.gz PKYPIKWMVYHOJJ-ZWKOTPCHSA-N 1 1 343.471 3.897 20 30 EHEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000597926376 1032773578 /nfs/dbraw/zinc/77/35/78/1032773578.db2.gz ZUCCEANBXYDPBG-KRWDZBQOSA-N 1 1 347.462 3.828 20 30 EHEDMO C=CC[C@H](CC)NC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000543997910 1018819704 /nfs/dbraw/zinc/81/97/04/1018819704.db2.gz FCMSOSUHEZMMLT-IHPCNDPISA-N 1 1 343.515 3.941 20 30 EHEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000580226974 1018826468 /nfs/dbraw/zinc/82/64/68/1018826468.db2.gz ZNOKFFFKCYWMGX-SFHVURJKSA-N 1 1 334.463 3.955 20 30 EHEDMO C[C@@]1(CNCc2ccc(C#N)cc2F)CCC[N@@H+]1Cc1ccccc1 ZINC000397902149 1018929804 /nfs/dbraw/zinc/92/98/04/1018929804.db2.gz XBLLJXYNTQDXDS-NRFANRHFSA-N 1 1 337.442 3.842 20 30 EHEDMO C[C@@]1(CNCc2ccc(C#N)cc2F)CCC[N@H+]1Cc1ccccc1 ZINC000397902149 1018929819 /nfs/dbraw/zinc/92/98/19/1018929819.db2.gz XBLLJXYNTQDXDS-NRFANRHFSA-N 1 1 337.442 3.842 20 30 EHEDMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1C ZINC000614397204 1018959702 /nfs/dbraw/zinc/95/97/02/1018959702.db2.gz BIGCXGKBLDSKKP-KRWDZBQOSA-N 1 1 336.435 3.678 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000614402360 1018975518 /nfs/dbraw/zinc/97/55/18/1018975518.db2.gz ASKAZANZNXVCFD-KRWDZBQOSA-N 1 1 328.456 3.811 20 30 EHEDMO C[C@@H]1CN(Cc2cc(C#N)cs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000449557214 1032801825 /nfs/dbraw/zinc/80/18/25/1032801825.db2.gz UZWRLYIKFXDXEL-INIZCTEOSA-N 1 1 325.481 3.574 20 30 EHEDMO C=CCCCCCNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000580325716 1019041088 /nfs/dbraw/zinc/04/10/88/1019041088.db2.gz WQDHBTPFDKHGEZ-QGZVFWFLSA-N 1 1 345.487 3.948 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H](O)C23CCCC3)ccc1OC ZINC000580355929 1019174494 /nfs/dbraw/zinc/17/44/94/1019174494.db2.gz QLNWJWJZMBJFRC-LJQANCHMSA-N 1 1 331.456 3.530 20 30 EHEDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033230 1032824313 /nfs/dbraw/zinc/82/43/13/1032824313.db2.gz YBURSGOSMOZAPV-UHFFFAOYSA-N 1 1 337.379 3.644 20 30 EHEDMO CC(C)[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000433778108 1019599007 /nfs/dbraw/zinc/59/90/07/1019599007.db2.gz UCUMEDGJQCNDMS-ROUUACIJSA-N 1 1 341.842 3.725 20 30 EHEDMO C=CCC[N@H+](C)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000467285860 1019602136 /nfs/dbraw/zinc/60/21/36/1019602136.db2.gz MEQJEIAGBUSOEA-HXUWFJFHSA-N 1 1 340.492 3.730 20 30 EHEDMO N#Cc1cc(C[N@@H+]2CCCN(c3ccccc3F)CC2)ccc1F ZINC000513405431 1019626099 /nfs/dbraw/zinc/62/60/99/1019626099.db2.gz GYCZIHLZHAHKCR-UHFFFAOYSA-N 1 1 327.378 3.549 20 30 EHEDMO N#Cc1cc(C[N@H+]2CCCN(c3ccccc3F)CC2)ccc1F ZINC000513405431 1019626112 /nfs/dbraw/zinc/62/61/12/1019626112.db2.gz GYCZIHLZHAHKCR-UHFFFAOYSA-N 1 1 327.378 3.549 20 30 EHEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCOCC23CCC3)c1 ZINC000537625363 1019916537 /nfs/dbraw/zinc/91/65/37/1019916537.db2.gz BGITUISPSWFHPV-UHFFFAOYSA-N 1 1 348.446 3.892 20 30 EHEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CCOCC23CCC3)c1 ZINC000537625363 1019916550 /nfs/dbraw/zinc/91/65/50/1019916550.db2.gz BGITUISPSWFHPV-UHFFFAOYSA-N 1 1 348.446 3.892 20 30 EHEDMO Cc1ccc2cc(C[N@@H+]3CCO[C@H](c4ccc(C#N)cc4)C3)ccc2n1 ZINC000897596071 1032887939 /nfs/dbraw/zinc/88/79/39/1032887939.db2.gz LRAIZLUFEPBWPU-QFIPXVFZSA-N 1 1 343.430 3.988 20 30 EHEDMO Cc1ccc2cc(C[N@H+]3CCO[C@H](c4ccc(C#N)cc4)C3)ccc2n1 ZINC000897596071 1032887949 /nfs/dbraw/zinc/88/79/49/1032887949.db2.gz LRAIZLUFEPBWPU-QFIPXVFZSA-N 1 1 343.430 3.988 20 30 EHEDMO CO[C@]1(C)CCC[N@@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000280501090 1020420260 /nfs/dbraw/zinc/42/02/60/1020420260.db2.gz MWWBYUCQDBKRPV-MRXNPFEDSA-N 1 1 337.261 3.712 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000602466612 1032901590 /nfs/dbraw/zinc/90/15/90/1032901590.db2.gz VZRNQXSMLCMCIC-GOEBONIOSA-N 1 1 342.418 3.995 20 30 EHEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000121277603 1020464200 /nfs/dbraw/zinc/46/42/00/1020464200.db2.gz YIBIVLPBQUXDEQ-AWEZNQCLSA-N 1 1 330.428 3.563 20 30 EHEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000121277603 1020464205 /nfs/dbraw/zinc/46/42/05/1020464205.db2.gz YIBIVLPBQUXDEQ-AWEZNQCLSA-N 1 1 330.428 3.563 20 30 EHEDMO CC[C@@H](C#N)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000593417541 1032918945 /nfs/dbraw/zinc/91/89/45/1032918945.db2.gz VQNGEILXTGRCLX-INIZCTEOSA-N 1 1 327.472 3.617 20 30 EHEDMO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CCC1CC1 ZINC000135258815 1020950873 /nfs/dbraw/zinc/95/08/73/1020950873.db2.gz NKNXUUJWPMNWBP-UHFFFAOYSA-N 1 1 331.485 3.559 20 30 EHEDMO C=CCC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000427224644 1021231239 /nfs/dbraw/zinc/23/12/39/1021231239.db2.gz LOAMWAVRKJKCGA-TZIWHRDSSA-N 1 1 340.511 3.927 20 30 EHEDMO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000602535664 1032967044 /nfs/dbraw/zinc/96/70/44/1032967044.db2.gz WNQKAZZXYGDXQF-WBVHZDCISA-N 1 1 341.480 3.921 20 30 EHEDMO Cc1[nH+]ccn1CCCCSc1nc2c(cc1C#N)CCCC2 ZINC000157343016 1021247693 /nfs/dbraw/zinc/24/76/93/1021247693.db2.gz OHGJZWMUMYWTHC-UHFFFAOYSA-N 1 1 326.469 3.910 20 30 EHEDMO COC(=O)c1ccc(-c2ccc(C[NH2+]CC3(C#N)CCCC3)o2)cc1 ZINC000593654794 1032999987 /nfs/dbraw/zinc/99/99/87/1032999987.db2.gz OSOTWTQWHBWDEF-UHFFFAOYSA-N 1 1 338.407 3.907 20 30 EHEDMO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)ccc1O ZINC000437405776 1021799767 /nfs/dbraw/zinc/79/97/67/1021799767.db2.gz DVDFHLYOJSOOLL-UHFFFAOYSA-N 1 1 348.349 3.506 20 30 EHEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)ccc1O ZINC000437405776 1021799774 /nfs/dbraw/zinc/79/97/74/1021799774.db2.gz DVDFHLYOJSOOLL-UHFFFAOYSA-N 1 1 348.349 3.506 20 30 EHEDMO N#Cc1ccc(OCCC[N@@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000729482510 1021867764 /nfs/dbraw/zinc/86/77/64/1021867764.db2.gz KNCCIOCZHZXBCK-UHFFFAOYSA-N 1 1 331.419 3.867 20 30 EHEDMO N#Cc1ccc(OCCC[N@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000729482510 1021867776 /nfs/dbraw/zinc/86/77/76/1021867776.db2.gz KNCCIOCZHZXBCK-UHFFFAOYSA-N 1 1 331.419 3.867 20 30 EHEDMO C#CCOc1ccccc1CNC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000060832507 1033012558 /nfs/dbraw/zinc/01/25/58/1033012558.db2.gz XWIKHUSNHIZMJU-SFHVURJKSA-N 1 1 340.492 3.687 20 30 EHEDMO OCCC[N@@H+](CC#Cc1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000441099839 1021976339 /nfs/dbraw/zinc/97/63/39/1021976339.db2.gz VRJMBUDAZTYWPL-UHFFFAOYSA-N 1 1 331.818 3.715 20 30 EHEDMO C=CC[N@H+](CCC(=O)N(C)c1ccccc1)Cc1ccc(OC)cc1 ZINC000441167379 1022027472 /nfs/dbraw/zinc/02/74/72/1022027472.db2.gz LZAGYGADNJQVHX-UHFFFAOYSA-N 1 1 338.451 3.736 20 30 EHEDMO C[N@H+](Cc1cnc(CC(F)(F)F)s1)Cc1ccc(C#N)cc1 ZINC000891604325 1022078752 /nfs/dbraw/zinc/07/87/52/1022078752.db2.gz FQJNHLCQVIGPBM-UHFFFAOYSA-N 1 1 325.359 3.752 20 30 EHEDMO C[N@@H+](Cc1cnc(CC(F)(F)F)s1)Cc1ccc(C#N)cc1 ZINC000891604325 1022078775 /nfs/dbraw/zinc/07/87/75/1022078775.db2.gz FQJNHLCQVIGPBM-UHFFFAOYSA-N 1 1 325.359 3.752 20 30 EHEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000134658910 1022091880 /nfs/dbraw/zinc/09/18/80/1022091880.db2.gz GGIFBXVJOBJLKA-BBRMVZONSA-N 1 1 347.434 3.575 20 30 EHEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000134658910 1022091893 /nfs/dbraw/zinc/09/18/93/1022091893.db2.gz GGIFBXVJOBJLKA-BBRMVZONSA-N 1 1 347.434 3.575 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000783440738 1022263978 /nfs/dbraw/zinc/26/39/78/1022263978.db2.gz QFVVKMLPCIFLOK-LJQANCHMSA-N 1 1 334.419 3.688 20 30 EHEDMO COC(=O)c1ccc(C[NH+]2CCC(C)(C#N)CC2)c(C(F)(F)F)c1 ZINC000894431048 1022273510 /nfs/dbraw/zinc/27/35/10/1022273510.db2.gz KDOSTFVLMPPLLR-UHFFFAOYSA-N 1 1 340.345 3.618 20 30 EHEDMO N#CC1(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CCC1 ZINC000519531399 1022308110 /nfs/dbraw/zinc/30/81/10/1022308110.db2.gz FZUCXBWKBKSGIK-UHFFFAOYSA-N 1 1 335.455 3.844 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCc3c(cccc3OC)C2)cc1OC ZINC000341562731 1022345088 /nfs/dbraw/zinc/34/50/88/1022345088.db2.gz KCEVTZSKKWFWFL-UHFFFAOYSA-N 1 1 339.435 3.827 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CCc3c(cccc3OC)C2)cc1OC ZINC000341562731 1022345100 /nfs/dbraw/zinc/34/51/00/1022345100.db2.gz KCEVTZSKKWFWFL-UHFFFAOYSA-N 1 1 339.435 3.827 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000438072700 1022354678 /nfs/dbraw/zinc/35/46/78/1022354678.db2.gz JHHGCUZDXMTAKM-QLFBSQMISA-N 1 1 346.500 3.543 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncc(Br)cc1O ZINC000895018138 1022376976 /nfs/dbraw/zinc/37/69/76/1022376976.db2.gz KLNQLCBVMNZZIR-NSHDSACASA-N 1 1 346.228 3.614 20 30 EHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C(C)(C)C)sc2C1 ZINC000519550845 1022395014 /nfs/dbraw/zinc/39/50/14/1022395014.db2.gz XOBXIHROGUFAHW-GFCCVEGCSA-N 1 1 333.501 3.803 20 30 EHEDMO C[C@@H]1C[C@H](CCNC(=O)C2(O)CCCC2)C[N@H+]1Cc1ccccc1 ZINC000328662464 1022457904 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338.455 3.526 20 30 EHEDMO CSc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000507180612 1023165593 /nfs/dbraw/zinc/16/55/93/1023165593.db2.gz OAJCCDJUTXDETA-UHFFFAOYSA-N 1 1 341.455 3.741 20 30 EHEDMO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(C3CCCCC3)cc2)C(N)=O)cc1 ZINC000431122685 1023292805 /nfs/dbraw/zinc/29/28/05/1023292805.db2.gz VHPQBGWQBSWUOW-OAQYLSRUSA-N 1 1 347.462 3.922 20 30 EHEDMO COCC[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccco1 ZINC000276894143 1023309617 /nfs/dbraw/zinc/30/96/17/1023309617.db2.gz KPXDGTBCKZGJBZ-HNNXBMFYSA-N 1 1 349.228 3.781 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000337968315 1023509616 /nfs/dbraw/zinc/50/96/16/1023509616.db2.gz OIDJTEAPQLSXMJ-MRXNPFEDSA-N 1 1 335.451 3.507 20 30 EHEDMO C[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000063247183 1033143118 /nfs/dbraw/zinc/14/31/18/1033143118.db2.gz DGIPLJAMIDFZLS-ZDUSSCGKSA-N 1 1 325.437 3.568 20 30 EHEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000535810024 1023651206 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CCC#CC(=O)N1CCC[C@]2(CC[N@H+](C[C@@H](CC)CCCC)C2)C1 ZINC001269950624 1024857905 /nfs/dbraw/zinc/85/79/05/1024857905.db2.gz XHEXKIODITZOLG-PZJWPPBQSA-N 1 1 332.532 3.931 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602890040 1033244870 /nfs/dbraw/zinc/24/48/70/1033244870.db2.gz YJGGDFYMIZLUJT-LJQANCHMSA-N 1 1 328.419 3.799 20 30 EHEDMO C=C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000428044058 1024955755 /nfs/dbraw/zinc/95/57/55/1024955755.db2.gz IZRYPUAQPHKGKT-HKUYNNGSSA-N 1 1 330.447 3.605 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1c1ncc(C#N)cc1Cl ZINC000346660884 1024997572 /nfs/dbraw/zinc/99/75/72/1024997572.db2.gz SKLMQAZVCSWNQU-HUUCEWRRSA-N 1 1 340.858 3.706 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1ncc(C#N)cc1Cl ZINC000346660884 1024997576 /nfs/dbraw/zinc/99/75/76/1024997576.db2.gz SKLMQAZVCSWNQU-HUUCEWRRSA-N 1 1 340.858 3.706 20 30 EHEDMO C=CC[C@H](CC)NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000281396761 1024999471 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Cc1ccc([C@@H](NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000046529477 1033275903 /nfs/dbraw/zinc/27/59/03/1033275903.db2.gz JKAOBYFKRXEYMW-JOCHJYFZSA-N 1 1 347.462 3.566 20 30 EHEDMO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046530138 1033274097 /nfs/dbraw/zinc/27/40/97/1033274097.db2.gz CESGTJNUQXFVPB-HNNXBMFYSA-N 1 1 344.418 3.565 20 30 EHEDMO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046530138 1033274113 /nfs/dbraw/zinc/27/41/13/1033274113.db2.gz CESGTJNUQXFVPB-HNNXBMFYSA-N 1 1 344.418 3.565 20 30 EHEDMO CC#CC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000607731948 1033271077 /nfs/dbraw/zinc/27/10/77/1033271077.db2.gz RMPBHEKLVXISSK-UHFFFAOYSA-N 1 1 337.398 3.851 20 30 EHEDMO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000521370906 1025359501 /nfs/dbraw/zinc/35/95/01/1025359501.db2.gz SIKARQMSZHNJKP-MRXNPFEDSA-N 1 1 327.378 3.913 20 30 EHEDMO N#Cc1ccc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000521370906 1025359516 /nfs/dbraw/zinc/35/95/16/1025359516.db2.gz SIKARQMSZHNJKP-MRXNPFEDSA-N 1 1 327.378 3.913 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C#N)s1 ZINC000267261596 1025449478 /nfs/dbraw/zinc/44/94/78/1025449478.db2.gz KJOLFAITOUKIIP-DNVCBOLYSA-N 1 1 325.481 3.620 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000267261596 1025449484 /nfs/dbraw/zinc/44/94/84/1025449484.db2.gz KJOLFAITOUKIIP-DNVCBOLYSA-N 1 1 325.481 3.620 20 30 EHEDMO COc1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1C#N ZINC000442796724 1025492716 /nfs/dbraw/zinc/49/27/16/1025492716.db2.gz GNJBBZHKCWWRGV-UHFFFAOYSA-N 1 1 337.379 3.640 20 30 EHEDMO COc1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1C#N ZINC000442796724 1025492732 /nfs/dbraw/zinc/49/27/32/1025492732.db2.gz GNJBBZHKCWWRGV-UHFFFAOYSA-N 1 1 337.379 3.640 20 30 EHEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@]2(CC=CCC2)C1)c1ccccc1 ZINC000303580801 1025532166 /nfs/dbraw/zinc/53/21/66/1025532166.db2.gz OVDZWOHBQTXHDT-OAQYLSRUSA-N 1 1 337.467 3.756 20 30 EHEDMO CC(C)(C#N)CCCC[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425507628 1025542444 /nfs/dbraw/zinc/54/24/44/1025542444.db2.gz HFUMYCCORRRLOB-GASCZTMLSA-N 1 1 336.382 3.509 20 30 EHEDMO CC(C)(C#N)CCCC[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425507628 1025542462 /nfs/dbraw/zinc/54/24/62/1025542462.db2.gz HFUMYCCORRRLOB-GASCZTMLSA-N 1 1 336.382 3.509 20 30 EHEDMO CCc1ccc2c(C[N@@H+](C)Cc3cccc(C#N)c3)cc(=O)oc2c1 ZINC000046517885 1033290409 /nfs/dbraw/zinc/29/04/09/1033290409.db2.gz JQSGKSSZYIKMGD-UHFFFAOYSA-N 1 1 332.403 3.859 20 30 EHEDMO COc1cc(C[NH2+]Cc2ccc(C)cc2Br)ccc1C#N ZINC000521694877 1025596330 /nfs/dbraw/zinc/59/63/30/1025596330.db2.gz FWINNGPKLBTFFB-UHFFFAOYSA-N 1 1 345.240 3.928 20 30 EHEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cnc2onc(C(C)C)c2c1 ZINC000329187487 1025650433 /nfs/dbraw/zinc/65/04/33/1025650433.db2.gz GVJNXRPEVASKAB-AWEZNQCLSA-N 1 1 330.432 3.525 20 30 EHEDMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000329181666 1025651180 /nfs/dbraw/zinc/65/11/80/1025651180.db2.gz NMSFRNMADBTGQF-SOLBZPMBSA-N 1 1 326.444 3.751 20 30 EHEDMO CSc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425531832 1025651302 /nfs/dbraw/zinc/65/13/02/1025651302.db2.gz IFCUZPNHXHOFQC-CQSZACIVSA-N 1 1 339.464 3.912 20 30 EHEDMO CSc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425531832 1025651312 /nfs/dbraw/zinc/65/13/12/1025651312.db2.gz IFCUZPNHXHOFQC-CQSZACIVSA-N 1 1 339.464 3.912 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000425531255 1025652922 /nfs/dbraw/zinc/65/29/22/1025652922.db2.gz HFUYFJDPKJDFMW-LSDHHAIUSA-N 1 1 339.414 3.568 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000425531255 1025652927 /nfs/dbraw/zinc/65/29/27/1025652927.db2.gz HFUYFJDPKJDFMW-LSDHHAIUSA-N 1 1 339.414 3.568 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000425532445 1025659493 /nfs/dbraw/zinc/65/94/93/1025659493.db2.gz BSPHURISBCWZBB-KDOFPFPSSA-N 1 1 344.842 3.644 20 30 EHEDMO Cc1[nH+]ccn1CCN(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N ZINC000425529597 1025664166 /nfs/dbraw/zinc/66/41/66/1025664166.db2.gz CDCBQDLNXAQBGE-CYBMUJFWSA-N 1 1 336.361 3.625 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000425529006 1025665848 /nfs/dbraw/zinc/66/58/48/1025665848.db2.gz AIKORVBCXWJQDU-CYBMUJFWSA-N 1 1 343.377 3.858 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)N1CCCc2ccccc21 ZINC000425534238 1025680263 /nfs/dbraw/zinc/68/02/63/1025680263.db2.gz LTBUQQUJLFGJSN-KRWDZBQOSA-N 1 1 347.462 3.921 20 30 EHEDMO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000521814199 1025691386 /nfs/dbraw/zinc/69/13/86/1025691386.db2.gz NLAHGZPPWWEWPI-AWEZNQCLSA-N 1 1 341.842 3.521 20 30 EHEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000521814199 1025691392 /nfs/dbraw/zinc/69/13/92/1025691392.db2.gz NLAHGZPPWWEWPI-AWEZNQCLSA-N 1 1 341.842 3.521 20 30 EHEDMO CCN(CCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1)CC(F)(F)F 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YIRJXOIZDAITRK-INIZCTEOSA-N 1 1 346.902 3.566 20 30 EHEDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000135075188 1026231511 /nfs/dbraw/zinc/23/15/11/1026231511.db2.gz YIRJXOIZDAITRK-INIZCTEOSA-N 1 1 346.902 3.566 20 30 EHEDMO N#Cc1c(F)cccc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000054370291 1026315560 /nfs/dbraw/zinc/31/55/60/1026315560.db2.gz WTISYKNXSTUUFC-UHFFFAOYSA-N 1 1 327.378 3.549 20 30 EHEDMO Cc1noc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C(C)C)C2)n1 ZINC000329058837 1026326195 /nfs/dbraw/zinc/32/61/95/1026326195.db2.gz UDTWJYYOAIQGQU-HIFRSBDPSA-N 1 1 342.443 3.967 20 30 EHEDMO Cc1noc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3C(C)C)C2)n1 ZINC000329058837 1026326206 /nfs/dbraw/zinc/32/62/06/1026326206.db2.gz UDTWJYYOAIQGQU-HIFRSBDPSA-N 1 1 342.443 3.967 20 30 EHEDMO CC1CN(CCCC(C)(C)C#N)CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000451888035 1026354741 /nfs/dbraw/zinc/35/47/41/1026354741.db2.gz HMFOXLVJDILMMB-UHFFFAOYSA-N 1 1 332.536 3.900 20 30 EHEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511139707 1026419222 /nfs/dbraw/zinc/41/92/22/1026419222.db2.gz RFMKIMQIUYNNRV-HIFRSBDPSA-N 1 1 340.389 3.576 20 30 EHEDMO C=CCCC1(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000475319025 1026462779 /nfs/dbraw/zinc/46/27/79/1026462779.db2.gz PLUPTLTWMZYMBJ-LJQANCHMSA-N 1 1 326.484 3.904 20 30 EHEDMO N#Cc1cc(F)ccc1C[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000452055419 1026467836 /nfs/dbraw/zinc/46/78/36/1026467836.db2.gz BRCUCHVDOJZMGF-QGZVFWFLSA-N 1 1 330.428 3.752 20 30 EHEDMO C=CCOc1cccc(C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375409363 1026488850 /nfs/dbraw/zinc/48/88/50/1026488850.db2.gz SSLDHXCBJTVUKB-INIZCTEOSA-N 1 1 325.412 3.501 20 30 EHEDMO C=CCC1(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)CCCCC1 ZINC000452188240 1026554735 /nfs/dbraw/zinc/55/47/35/1026554735.db2.gz CCKKDAOYNKYLLY-IBGZPJMESA-N 1 1 342.483 3.718 20 30 EHEDMO N#Cc1c(C#N)c(N[C@H]2CC[N@H+]3CCCC[C@@H]23)nc2c1CCCCCC2 ZINC000479372798 1026602268 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COc1cccc(C[N@H+](CC#Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000483514099 1031203114 /nfs/dbraw/zinc/20/31/14/1031203114.db2.gz QLSOAGBZRFCNHF-JOCHJYFZSA-N 1 1 335.447 3.728 20 30 EHEDMO COc1cccc(C[N@@H+](CC#Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000483514099 1031203129 /nfs/dbraw/zinc/20/31/29/1031203129.db2.gz QLSOAGBZRFCNHF-JOCHJYFZSA-N 1 1 335.447 3.728 20 30 EHEDMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000161043625 1031254246 /nfs/dbraw/zinc/25/42/46/1031254246.db2.gz FOWRXQVBPMPCKZ-SGTLLEGYSA-N 1 1 343.377 3.904 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC(C)(C)C#N ZINC000278541442 1031302049 /nfs/dbraw/zinc/30/20/49/1031302049.db2.gz MZARIQWDTHZIJB-MRXNPFEDSA-N 1 1 327.472 3.617 20 30 EHEDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000477192426 1031324130 /nfs/dbraw/zinc/32/41/30/1031324130.db2.gz UOOIANLXAIXVON-SFHLNBCPSA-N 1 1 341.499 3.699 20 30 EHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000161286849 1031446262 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EHEDMO Cc1sc2nc(C[NH+]3CCCC3)nc(NCCCC#N)c2c1C ZINC000343615352 1031640469 /nfs/dbraw/zinc/64/04/69/1031640469.db2.gz YHTZYYFSQIXXAE-UHFFFAOYSA-N 1 1 329.473 3.620 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000533934481 1031698440 /nfs/dbraw/zinc/69/84/40/1031698440.db2.gz MMJPYOBFJGRNIW-YLJYHZDGSA-N 1 1 341.499 3.955 20 30 EHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000052803452 1031710698 /nfs/dbraw/zinc/71/06/98/1031710698.db2.gz OTFJGNMJOFDSON-AWEZNQCLSA-N 1 1 331.466 3.847 20 30 EHEDMO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000484565301 1031746306 /nfs/dbraw/zinc/74/63/06/1031746306.db2.gz BSPLPBQHQGZFPT-SJORKVTESA-N 1 1 340.467 3.540 20 30 EHEDMO C=CC[N@H+](CCOC)[C@@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000484565301 1031746320 /nfs/dbraw/zinc/74/63/20/1031746320.db2.gz BSPLPBQHQGZFPT-SJORKVTESA-N 1 1 340.467 3.540 20 30 EHEDMO C[C@H]1[C@H](NC(=O)Nc2cccc(CC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000455904026 1031754057 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/nfs/dbraw/zinc/43/93/36/1042439336.db2.gz VYRNTEXBQHQIAI-OAQYLSRUSA-N 1 1 347.462 3.733 20 30 EHEDMO C=C(C)CN(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662034812 1042473027 /nfs/dbraw/zinc/47/30/27/1042473027.db2.gz AFHXEBDLCWFFJK-LJQANCHMSA-N 1 1 341.499 3.506 20 30 EHEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](C)C2)cc1OC ZINC000511954974 1042482273 /nfs/dbraw/zinc/48/22/73/1042482273.db2.gz DCODVFMDFYALJJ-LBPRGKRZSA-N 1 1 340.261 3.864 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000662078159 1042499134 /nfs/dbraw/zinc/49/91/34/1042499134.db2.gz BZSFMDJDRIOJKG-HDAAZOAOSA-N 1 1 327.468 3.625 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1cc(Cl)ccc1OC ZINC000662078818 1042499232 /nfs/dbraw/zinc/49/92/32/1042499232.db2.gz HGWZPEJWOZPQJV-GASCZTMLSA-N 1 1 334.847 3.860 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000662083278 1042500977 /nfs/dbraw/zinc/50/09/77/1042500977.db2.gz BAEBSLZJLRMSRT-BMFZPTHFSA-N 1 1 334.410 3.667 20 30 EHEDMO C=CCOc1c(Cl)cc(C[N@H+](CCO)[C@H](C)CC)cc1OC ZINC000628302340 1042506614 /nfs/dbraw/zinc/50/66/14/1042506614.db2.gz ZEPHRQMKBICNQV-CYBMUJFWSA-N 1 1 327.852 3.506 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2C[NH2+]CC(C)(C)CCC#N)C[C@@H](C)O1 ZINC000343924168 1042843670 /nfs/dbraw/zinc/84/36/70/1042843670.db2.gz NKPYYGMSQJADEN-QZTJIDSGSA-N 1 1 343.515 3.715 20 30 EHEDMO Cc1sc2nc(C[NH+](C)C)nc(N[C@H]3CC[C@H](C#N)CC3)c2c1C ZINC001167843117 1043194490 /nfs/dbraw/zinc/19/44/90/1043194490.db2.gz WOYFNXDBMAOQQD-HDJSIYSDSA-N 1 1 343.500 3.864 20 30 EHEDMO C=C(C)C[N@@H+](CCC(=O)Nc1cc(N)ccc1F)Cc1ccccc1 ZINC000279266257 1043672184 /nfs/dbraw/zinc/67/21/84/1043672184.db2.gz ITKDMDNFMAJZKE-UHFFFAOYSA-N 1 1 341.430 3.815 20 30 EHEDMO C#CC[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CCCCC1 ZINC000728899751 1043701333 /nfs/dbraw/zinc/70/13/33/1043701333.db2.gz OPGVKUHCKNRYMZ-UHFFFAOYSA-N 1 1 338.411 3.684 20 30 EHEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000348866651 1043735929 /nfs/dbraw/zinc/73/59/29/1043735929.db2.gz GVBISGRAOWNRBD-INIZCTEOSA-N 1 1 329.362 3.531 20 30 EHEDMO C=CCCOCCCCC(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000344466357 1044041208 /nfs/dbraw/zinc/04/12/08/1044041208.db2.gz AFNRWBYAEBILNE-IBGZPJMESA-N 1 1 342.483 3.761 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000344861823 1044538773 /nfs/dbraw/zinc/53/87/73/1044538773.db2.gz ZRUBKKOWOZXASS-INIZCTEOSA-N 1 1 325.412 3.501 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000279787525 1044658051 /nfs/dbraw/zinc/65/80/51/1044658051.db2.gz OCOXBXKHQYENGU-CVEARBPZSA-N 1 1 348.512 3.529 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000279787525 1044658067 /nfs/dbraw/zinc/65/80/67/1044658067.db2.gz OCOXBXKHQYENGU-CVEARBPZSA-N 1 1 348.512 3.529 20 30 EHEDMO Cc1ccccc1C1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000542626013 1125539627 /nfs/dbraw/zinc/53/96/27/1125539627.db2.gz BMMVDYYUSVYWKL-UHFFFAOYSA-N 1 1 333.435 3.685 20 30 EHEDMO Cc1c(C#N)cccc1NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183532496 1125593068 /nfs/dbraw/zinc/59/30/68/1125593068.db2.gz DGNRFIGCBOLRCN-RDJZCZTQSA-N 1 1 340.471 3.641 20 30 EHEDMO C=CCOc1cccc(C[NH2+]C(C)(C)c2cn(-c3ccccc3)nn2)c1 ZINC000154059560 1125688225 /nfs/dbraw/zinc/68/82/25/1125688225.db2.gz AQAPOWOJDXGYDK-UHFFFAOYSA-N 1 1 348.450 3.857 20 30 EHEDMO C=C[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000620774282 1125730092 /nfs/dbraw/zinc/73/00/92/1125730092.db2.gz ZRIAFMCDZDRGJM-FPOVZHCZSA-N 1 1 334.463 3.737 20 30 EHEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000325019397 1126795404 /nfs/dbraw/zinc/79/54/04/1126795404.db2.gz HXSQOJJIKRWDJC-RDTXWAMCSA-N 1 1 344.842 3.644 20 30 EHEDMO CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000072697762 1126856573 /nfs/dbraw/zinc/85/65/73/1126856573.db2.gz XMBWZGUMCXAVOS-HRCADAONSA-N 1 1 345.512 3.997 20 30 EHEDMO COc1cc(F)c([C@@H](C)[NH2+]CC#Cc2ccc(F)cc2)cc1OC ZINC000183453128 1127377356 /nfs/dbraw/zinc/37/73/56/1127377356.db2.gz ZHIWJLLQRSMBJQ-CYBMUJFWSA-N 1 1 331.362 3.684 20 30 EHEDMO C#CC[N@@H+](Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2)C1CC1 ZINC000764677711 1127519830 /nfs/dbraw/zinc/51/98/30/1127519830.db2.gz RTDYDKHSOAAHQW-UHFFFAOYSA-N 1 1 326.440 3.582 20 30 EHEDMO C#CC[N@H+](Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2)C1CC1 ZINC000764677711 1127519832 /nfs/dbraw/zinc/51/98/32/1127519832.db2.gz RTDYDKHSOAAHQW-UHFFFAOYSA-N 1 1 326.440 3.582 20 30 EHEDMO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000801937809 1127731852 /nfs/dbraw/zinc/73/18/52/1127731852.db2.gz AJXPIEWEBZPRGC-WDEREUQCSA-N 1 1 329.263 3.576 20 30 EHEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000801937809 1127731857 /nfs/dbraw/zinc/73/18/57/1127731857.db2.gz AJXPIEWEBZPRGC-WDEREUQCSA-N 1 1 329.263 3.576 20 30 EHEDMO COc1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)ccc1C#N ZINC000282214198 1128087502 /nfs/dbraw/zinc/08/75/02/1128087502.db2.gz HNVLOPBDFQTPJY-IRXDYDNUSA-N 1 1 342.464 3.716 20 30 EHEDMO C[N@H+]1CCC[C@H](CNc2nccc(C#N)c2Cl)[C@H]1c1ccccc1 ZINC000553271667 1128404339 /nfs/dbraw/zinc/40/43/39/1128404339.db2.gz BXSDGKAEUSUFAX-SJLPKXTDSA-N 1 1 340.858 3.524 20 30 EHEDMO N#Cc1cc2c(nc1N1CCC[N@@H+](Cc3ccccc3)CC1)CCCC2 ZINC000301085379 1128572608 /nfs/dbraw/zinc/57/26/08/1128572608.db2.gz KWWFTGPMXPRVRQ-UHFFFAOYSA-N 1 1 346.478 3.544 20 30 EHEDMO N#Cc1cc(F)c(NCCc2[nH+]ccn2Cc2ccccc2)c(F)c1 ZINC000301091510 1128572884 /nfs/dbraw/zinc/57/28/84/1128572884.db2.gz HWHLVXVUZIJUBX-UHFFFAOYSA-N 1 1 338.361 3.736 20 30 EHEDMO Cc1nnc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(C#N)c1C ZINC000301417418 1128590661 /nfs/dbraw/zinc/59/06/61/1128590661.db2.gz MKWPJEMMSIZYKE-PBHICJAKSA-N 1 1 341.484 3.522 20 30 EHEDMO CCc1nnc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c1CC ZINC000302041890 1128616461 /nfs/dbraw/zinc/61/64/61/1128616461.db2.gz ILJSPYYRKALRIC-LSDHHAIUSA-N 1 1 341.503 3.538 20 30 EHEDMO CC(=O)c1ccc(C#N)cc1NCCC[N@H+]1CCc2ccccc2C1 ZINC000302127692 1128620997 /nfs/dbraw/zinc/62/09/97/1128620997.db2.gz WXKIWIYUCZJFAR-UHFFFAOYSA-N 1 1 333.435 3.621 20 30 EHEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(Br)cc1C ZINC000072553280 1128726495 /nfs/dbraw/zinc/72/64/95/1128726495.db2.gz QLWZFIIYCQPPSS-UHFFFAOYSA-N 1 1 325.250 3.594 20 30 EHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(Br)cc1C ZINC000072553280 1128726499 /nfs/dbraw/zinc/72/64/99/1128726499.db2.gz QLWZFIIYCQPPSS-UHFFFAOYSA-N 1 1 325.250 3.594 20 30 EHEDMO N#Cc1c(F)cccc1N1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000109471882 1128734667 /nfs/dbraw/zinc/73/46/67/1128734667.db2.gz HFFSAUWIICRDHA-UHFFFAOYSA-N 1 1 343.833 3.715 20 30 EHEDMO C[C@@H](C#N)C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000338754919 1128871568 /nfs/dbraw/zinc/87/15/68/1128871568.db2.gz HRXMFWBXULKMPE-OETQVWQLSA-N 1 1 345.874 3.530 20 30 EHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000076067180 1128901339 /nfs/dbraw/zinc/90/13/39/1128901339.db2.gz SYCUFKUMXBRYPW-HZPDHXFCSA-N 1 1 342.468 3.714 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000494239703 1120513656 /nfs/dbraw/zinc/51/36/56/1120513656.db2.gz ZECRHVPLIOKGEE-PBHICJAKSA-N 1 1 335.879 3.693 20 30 EHEDMO C=CCC1(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CCC1 ZINC000190991637 1120657612 /nfs/dbraw/zinc/65/76/12/1120657612.db2.gz BBAZEGMPOHNPFB-UHFFFAOYSA-N 1 1 340.511 3.900 20 30 EHEDMO C[N@@H+](CCn1cccn1)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191490786 1120675430 /nfs/dbraw/zinc/67/54/30/1120675430.db2.gz VDRXZKVFAJAWBN-UHFFFAOYSA-N 1 1 344.462 3.715 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(F)cc2C#N)C1 ZINC000112624467 1128936136 /nfs/dbraw/zinc/93/61/36/1128936136.db2.gz NVTTZNMXAUTSTQ-IAGOWNOFSA-N 1 1 329.463 3.784 20 30 EHEDMO C[C@@H](C/N=C\c1cc(Cl)ccc1O)[N@H+]1CCc2ccccc2C1 ZINC000914558318 1120896483 /nfs/dbraw/zinc/89/64/83/1120896483.db2.gz SUUNOUSNKUZWAU-HKMXWPIPSA-N 1 1 328.843 3.911 20 30 EHEDMO CC[C@H](C/N=C/c1c(O)cccc1OC)[N@H+]1CCc2ccccc2C1 ZINC000914701906 1120955800 /nfs/dbraw/zinc/95/58/00/1120955800.db2.gz RCHGNPXLVYNZAU-SDLXJUDFSA-N 1 1 338.451 3.657 20 30 EHEDMO C[C@H](C/N=C/c1cc(Br)ccc1O)[N@H+]1CCCC[C@H]1C ZINC000915271169 1121291776 /nfs/dbraw/zinc/29/17/76/1121291776.db2.gz MVUDYKOVJMUXQG-JHIOMVTJSA-N 1 1 339.277 3.837 20 30 EHEDMO Cc1cc(C#N)cc(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000311088749 1128980220 /nfs/dbraw/zinc/98/02/20/1128980220.db2.gz YHFGUOLBYAOGKR-IBGZPJMESA-N 1 1 334.467 3.976 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCC[C@@H]1C ZINC000487985701 1121538769 /nfs/dbraw/zinc/53/87/69/1121538769.db2.gz FYMVEVFVZBFVSC-BBRMVZONSA-N 1 1 338.398 3.797 20 30 EHEDMO C[C@]1(c2ccccc2)CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000113265633 1128993659 /nfs/dbraw/zinc/99/36/59/1128993659.db2.gz ZDMCOXHGRDVKOZ-QFIPXVFZSA-N 1 1 347.462 3.941 20 30 EHEDMO CC[N@@H+](C[C@H](O)COCc1cccs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000193726781 1121589852 /nfs/dbraw/zinc/58/98/52/1121589852.db2.gz SIBVWNPMRAKZJM-YJBOKZPZSA-N 1 1 344.480 3.580 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000077265656 1129004972 /nfs/dbraw/zinc/00/49/72/1129004972.db2.gz XXILKHIPNORSTH-INIZCTEOSA-N 1 1 328.437 3.844 20 30 EHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)CCOc1cccc(Cl)c1 ZINC000282120843 1121809512 /nfs/dbraw/zinc/80/95/12/1121809512.db2.gz XUDUTBOETSZUHT-UHFFFAOYSA-N 1 1 336.863 3.751 20 30 EHEDMO N#Cc1cnc2ccccc2c1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390700613 1129016878 /nfs/dbraw/zinc/01/68/78/1129016878.db2.gz LCZXZFNCOCLWOI-IBGZPJMESA-N 1 1 342.446 3.605 20 30 EHEDMO Cc1nc(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)ccc1C#N ZINC000488049119 1121938970 /nfs/dbraw/zinc/93/89/70/1121938970.db2.gz LKWXFCUGMUATII-HNNXBMFYSA-N 1 1 340.858 3.798 20 30 EHEDMO CCN(CC)c1ncc(C=[NH+]NCc2cccc3cccnc32)s1 ZINC000915959449 1121993707 /nfs/dbraw/zinc/99/37/07/1121993707.db2.gz MINSVWHFGAKWNP-UHFFFAOYSA-N 1 1 339.468 3.661 20 30 EHEDMO N#Cc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311837851 1129046526 /nfs/dbraw/zinc/04/65/26/1129046526.db2.gz MYMYQDHIHGROKZ-FQEVSTJZSA-N 1 1 347.462 3.590 20 30 EHEDMO C=CC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C(C)C ZINC000917069900 1122475299 /nfs/dbraw/zinc/47/52/99/1122475299.db2.gz ZUABAEJYURTUPM-UHFFFAOYSA-N 1 1 330.331 3.601 20 30 EHEDMO C=CC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C(C)C ZINC000917069900 1122475302 /nfs/dbraw/zinc/47/53/02/1122475302.db2.gz ZUABAEJYURTUPM-UHFFFAOYSA-N 1 1 330.331 3.601 20 30 EHEDMO NC(CCc1ccccc1)=[NH+]OCc1nc(C(F)(F)F)cs1 ZINC000154279273 1122498481 /nfs/dbraw/zinc/49/84/81/1122498481.db2.gz SDMKBJJQADJZBQ-UHFFFAOYSA-N 1 1 329.347 3.584 20 30 EHEDMO C=CC[N@H+](Cc1cc(=O)oc2cc(NC(=O)OCC)ccc12)C(C)C ZINC000917166743 1122542643 /nfs/dbraw/zinc/54/26/43/1122542643.db2.gz DODPACJNROOXJK-UHFFFAOYSA-N 1 1 344.411 3.758 20 30 EHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H](O)c1cc(OC)ccc1OC ZINC000918025841 1122733037 /nfs/dbraw/zinc/73/30/37/1122733037.db2.gz JNGRTOUDDWHAOA-IBGZPJMESA-N 1 1 345.414 3.565 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)c1cc(OC)ccc1OC ZINC000918025841 1122733042 /nfs/dbraw/zinc/73/30/42/1122733042.db2.gz JNGRTOUDDWHAOA-IBGZPJMESA-N 1 1 345.414 3.565 20 30 EHEDMO CC(C)(CCC#N)C[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000129523360 1122795643 /nfs/dbraw/zinc/79/56/43/1122795643.db2.gz APGUOKAARYAMRW-UHFFFAOYSA-N 1 1 341.286 3.840 20 30 EHEDMO CN(C)c1ccc(C[N@@H+](CCOc2ccccc2C#N)C2CC2)cc1 ZINC000918771563 1122914087 /nfs/dbraw/zinc/91/40/87/1122914087.db2.gz RCFSSCMNGAAHSV-UHFFFAOYSA-N 1 1 335.451 3.668 20 30 EHEDMO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000556854486 1123151379 /nfs/dbraw/zinc/15/13/79/1123151379.db2.gz UXBILKLALZBGSA-LJQANCHMSA-N 1 1 343.515 3.690 20 30 EHEDMO C#CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 ZINC000920407478 1123364669 /nfs/dbraw/zinc/36/46/69/1123364669.db2.gz KIEQKNFVNBNZQY-OAQYLSRUSA-N 1 1 343.430 3.510 20 30 EHEDMO CCCCCCCCC[N@H+](C)CN1C(=O)c2cccc(N)c2C1=O ZINC000921052448 1123458768 /nfs/dbraw/zinc/45/87/68/1123458768.db2.gz WAGDXJCOWXREBS-UHFFFAOYSA-N 1 1 331.460 3.505 20 30 EHEDMO CCCCCCCCC[N@@H+](C)CN1C(=O)c2cccc(N)c2C1=O ZINC000921052448 1123458770 /nfs/dbraw/zinc/45/87/70/1123458770.db2.gz WAGDXJCOWXREBS-UHFFFAOYSA-N 1 1 331.460 3.505 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(CNC[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000237699166 1123821763 /nfs/dbraw/zinc/82/17/63/1123821763.db2.gz NPMIXNFRZZOBME-JXFKEZNVSA-N 1 1 329.488 3.578 20 30 EHEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000180602164 1124034840 /nfs/dbraw/zinc/03/48/40/1124034840.db2.gz PUHMXSXTQKIYQK-MJGOQNOKSA-N 1 1 327.424 3.933 20 30 EHEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000617037553 1124075666 /nfs/dbraw/zinc/07/56/66/1124075666.db2.gz OLYJBJKRGMTVGK-MJGOQNOKSA-N 1 1 341.499 3.858 20 30 EHEDMO C=CC[C@@H](NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)c1ccncc1 ZINC000734658303 1131263294 /nfs/dbraw/zinc/26/32/94/1131263294.db2.gz QQXLTHIHSIDHDL-IEBWSBKVSA-N 1 1 344.503 3.653 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(OC(F)(F)F)c(F)c2)no1 ZINC001212325534 1124669313 /nfs/dbraw/zinc/66/93/13/1124669313.db2.gz SYNHYQSBIWJJIY-NSHDSACASA-N 1 1 343.280 3.578 20 30 EHEDMO C=CC[C@@H]1[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCCC1(C)C ZINC000618327855 1125047146 /nfs/dbraw/zinc/04/71/46/1125047146.db2.gz WLCNYJXJKFFKIT-QUCCMNQESA-N 1 1 342.483 3.559 20 30 EHEDMO CC[NH+](CC)CC1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735309362 1131334094 /nfs/dbraw/zinc/33/40/94/1131334094.db2.gz LMUYMRCYTKPOHE-UHFFFAOYSA-N 1 1 349.906 3.796 20 30 EHEDMO CC[C@@H]1CCC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000735310740 1131334271 /nfs/dbraw/zinc/33/42/71/1131334271.db2.gz CZUZVXKODROXBC-WBVHZDCISA-N 1 1 348.450 3.736 20 30 EHEDMO C=CC[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000618665483 1125147949 /nfs/dbraw/zinc/14/79/49/1125147949.db2.gz JEWWWYVQTYEJQM-ICSRJNTNSA-N 1 1 326.484 3.870 20 30 EHEDMO COc1cccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1F ZINC000619725113 1125390163 /nfs/dbraw/zinc/39/01/63/1125390163.db2.gz TXEMYBCSWGKCSR-UHFFFAOYSA-N 1 1 340.398 3.749 20 30 EHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccc(C#N)nc2)c1 ZINC000115069782 1129228853 /nfs/dbraw/zinc/22/88/53/1129228853.db2.gz NZDFWLKWUCGZOR-UHFFFAOYSA-N 1 1 345.406 3.574 20 30 EHEDMO CC(N=Nc1ccc(F)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735609456 1131362647 /nfs/dbraw/zinc/36/26/47/1131362647.db2.gz TZTQBHMKRLFNTO-LJQANCHMSA-N 1 1 327.403 3.515 20 30 EHEDMO CC(N=Nc1ccc(F)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735609456 1131362653 /nfs/dbraw/zinc/36/26/53/1131362653.db2.gz TZTQBHMKRLFNTO-LJQANCHMSA-N 1 1 327.403 3.515 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c(F)c1 ZINC000115558469 1129274515 /nfs/dbraw/zinc/27/45/15/1129274515.db2.gz NAKPADUWNABGAX-UHFFFAOYSA-N 1 1 328.362 3.880 20 30 EHEDMO C=CC[C@@H](CC)NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000466378397 1129409569 /nfs/dbraw/zinc/40/95/69/1129409569.db2.gz LYYHTDRWPKZPQL-IEBWSBKVSA-N 1 1 329.488 3.647 20 30 EHEDMO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cccc2ccccc21 ZINC000532473672 1129444921 /nfs/dbraw/zinc/44/49/21/1129444921.db2.gz HIHXEHQHAAEHBK-UHFFFAOYSA-N 1 1 329.403 3.782 20 30 EHEDMO C=CCCO[C@H](C)C(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000347713750 1129471219 /nfs/dbraw/zinc/47/12/19/1129471219.db2.gz UFPKOKPJPKNWTK-GGPKGHCWSA-N 1 1 344.499 3.652 20 30 EHEDMO C=C1CCC(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001128499489 1129570488 /nfs/dbraw/zinc/57/04/88/1129570488.db2.gz JABQSXVAOCJHOU-OAQYLSRUSA-N 1 1 326.484 3.761 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168729271 1129587714 /nfs/dbraw/zinc/58/77/14/1129587714.db2.gz AHAOLEQWLPEOMA-UWVAXJGDSA-N 1 1 347.886 3.633 20 30 EHEDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093562976 1129594025 /nfs/dbraw/zinc/59/40/25/1129594025.db2.gz XUOAUWXXKYMDPS-FUHWJXTLSA-N 1 1 330.435 3.892 20 30 EHEDMO N#Cc1csc(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)c1 ZINC000093741368 1129601319 /nfs/dbraw/zinc/60/13/19/1129601319.db2.gz OZIXYDRYIBPLBV-IBGZPJMESA-N 1 1 326.465 3.882 20 30 EHEDMO COc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)c(C)c1OC ZINC000428944488 1129627588 /nfs/dbraw/zinc/62/75/88/1129627588.db2.gz TUKMOZDUTPERMV-CYBMUJFWSA-N 1 1 328.387 3.874 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)s1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000124948766 1129647526 /nfs/dbraw/zinc/64/75/26/1129647526.db2.gz QXPIAMAZSAFJJT-AWEZNQCLSA-N 1 1 327.453 3.859 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)s1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000124948766 1129647530 /nfs/dbraw/zinc/64/75/30/1129647530.db2.gz QXPIAMAZSAFJJT-AWEZNQCLSA-N 1 1 327.453 3.859 20 30 EHEDMO CC[N@@H+](CC(=O)N(C)Cc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125778367 1129714991 /nfs/dbraw/zinc/71/49/91/1129714991.db2.gz LUBHZIYFSKADFC-KRWDZBQOSA-N 1 1 335.451 3.600 20 30 EHEDMO C=CC[C@@H]([NH2+][C@H](C)c1nnn(-c2ccccc2)c1C)c1ccncc1 ZINC000766019549 1129791866 /nfs/dbraw/zinc/79/18/66/1129791866.db2.gz MMTMWEHTEVQKAA-DNVCBOLYSA-N 1 1 333.439 3.939 20 30 EHEDMO CC[N@H+](Cc1ccc(Cl)s1)Cc1cnc2ccc(C#N)cn12 ZINC000162745915 1129903264 /nfs/dbraw/zinc/90/32/64/1129903264.db2.gz BDFIAGPJUNREAX-UHFFFAOYSA-N 1 1 330.844 3.943 20 30 EHEDMO CC[N@@H+](Cc1ccc(Cl)s1)Cc1cnc2ccc(C#N)cn12 ZINC000162745915 1129903267 /nfs/dbraw/zinc/90/32/67/1129903267.db2.gz BDFIAGPJUNREAX-UHFFFAOYSA-N 1 1 330.844 3.943 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429215780 1129988421 /nfs/dbraw/zinc/98/84/21/1129988421.db2.gz QSIAUYROAFGLOZ-OAHLLOKOSA-N 1 1 347.890 3.504 20 30 EHEDMO CCC[NH+]1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000171311862 1130044676 /nfs/dbraw/zinc/04/46/76/1130044676.db2.gz PISIMBNIEJMNAK-UHFFFAOYSA-N 1 1 349.434 3.518 20 30 EHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000674276308 1130055681 /nfs/dbraw/zinc/05/56/81/1130055681.db2.gz OWDGLRFYVAFQHN-WBVHZDCISA-N 1 1 343.492 3.836 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccccc1C#N ZINC000245891224 1130326489 /nfs/dbraw/zinc/32/64/89/1130326489.db2.gz JNBNKQYVPBJXKQ-OEWRPIJISA-N 1 1 333.479 3.804 20 30 EHEDMO C=CCN(Cc1ccccc1)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000534559675 1130587177 /nfs/dbraw/zinc/58/71/77/1130587177.db2.gz NHTHBDFVNNHSOM-FQEVSTJZSA-N 1 1 335.451 3.571 20 30 EHEDMO C=CCN(Cc1ccccc1)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000534559675 1130587179 /nfs/dbraw/zinc/58/71/79/1130587179.db2.gz NHTHBDFVNNHSOM-FQEVSTJZSA-N 1 1 335.451 3.571 20 30 EHEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000730282134 1130693670 /nfs/dbraw/zinc/69/36/70/1130693670.db2.gz GLJUPLDDOZSRIY-UWJYYQICSA-N 1 1 348.446 3.754 20 30 EHEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000730282134 1130693673 /nfs/dbraw/zinc/69/36/73/1130693673.db2.gz GLJUPLDDOZSRIY-UWJYYQICSA-N 1 1 348.446 3.754 20 30 EHEDMO COc1cccc(O)c1/C=N\C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000731488976 1130803174 /nfs/dbraw/zinc/80/31/74/1130803174.db2.gz XYLMLXHWCDZMPF-RHTHQAGFSA-N 1 1 330.472 3.864 20 30 EHEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCOc1cccc(C#N)c1 ZINC000731892056 1130854639 /nfs/dbraw/zinc/85/46/39/1130854639.db2.gz DIYDIUNVIPCGNH-LZJOCLMNSA-N 1 1 336.435 3.788 20 30 EHEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCOc1cccc(C#N)c1 ZINC000731892056 1130854645 /nfs/dbraw/zinc/85/46/45/1130854645.db2.gz DIYDIUNVIPCGNH-LZJOCLMNSA-N 1 1 336.435 3.788 20 30 EHEDMO C=CC[N@H+](CC1CCCCC1)Cn1nc(C(=O)OC)c(Cl)c1C ZINC000732671423 1130946559 /nfs/dbraw/zinc/94/65/59/1130946559.db2.gz TTZLJRTUTBMGSN-UHFFFAOYSA-N 1 1 339.867 3.657 20 30 EHEDMO C=CC[N@@H+](CC1CCCCC1)Cn1nc(C(=O)OC)c(Cl)c1C ZINC000732671423 1130946563 /nfs/dbraw/zinc/94/65/63/1130946563.db2.gz TTZLJRTUTBMGSN-UHFFFAOYSA-N 1 1 339.867 3.657 20 30 EHEDMO C#CCOc1ccccc1C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000734159508 1131205299 /nfs/dbraw/zinc/20/52/99/1131205299.db2.gz PWHIMLZAUVJQAH-UHFFFAOYSA-N 1 1 338.426 3.728 20 30 EHEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000739856223 1131511840 /nfs/dbraw/zinc/51/18/40/1131511840.db2.gz FFTSWIGMMRDPLR-HNAYVOBHSA-N 1 1 337.471 3.983 20 30 EHEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000739856221 1131511975 /nfs/dbraw/zinc/51/19/75/1131511975.db2.gz FFTSWIGMMRDPLR-BEFAXECRSA-N 1 1 337.471 3.983 20 30 EHEDMO CCCCCCCC[N@@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000740873533 1131550881 /nfs/dbraw/zinc/55/08/81/1131550881.db2.gz IYDQSCUNVNRRDA-HNNXBMFYSA-N 1 1 326.506 3.687 20 30 EHEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@@H](C)CCOCC(C)C)CCO2 ZINC001172466558 1131753329 /nfs/dbraw/zinc/75/33/29/1131753329.db2.gz AFUGNVBBPIGKPN-XUVXKRRUSA-N 1 1 339.520 3.511 20 30 EHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001172496870 1131758376 /nfs/dbraw/zinc/75/83/76/1131758376.db2.gz SIFQGRMHVSHHQW-VQIMIIECSA-N 1 1 335.492 3.792 20 30 EHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001172498702 1131759559 /nfs/dbraw/zinc/75/95/59/1131759559.db2.gz NHFSZRIBSIFKOR-XLIONFOSSA-N 1 1 329.463 3.948 20 30 EHEDMO C[C@H](CCCC#N)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001172498702 1131759562 /nfs/dbraw/zinc/75/95/62/1131759562.db2.gz NHFSZRIBSIFKOR-XLIONFOSSA-N 1 1 329.463 3.948 20 30 EHEDMO C[C@H](CCCC#N)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001172498702 1131759567 /nfs/dbraw/zinc/75/95/67/1131759567.db2.gz NHFSZRIBSIFKOR-XLIONFOSSA-N 1 1 329.463 3.948 20 30 EHEDMO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1[C@H](C)CCCC#N ZINC001172499048 1131760445 /nfs/dbraw/zinc/76/04/45/1131760445.db2.gz URYWYFRBRYRORT-NZSAHSFTSA-N 1 1 328.456 3.880 20 30 EHEDMO CCCCCCC[N@@H+](C)C1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001172894267 1131901481 /nfs/dbraw/zinc/90/14/81/1131901481.db2.gz WXQVLBCXZMWROQ-UHFFFAOYSA-N 1 1 326.525 3.695 20 30 EHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912220 1131918087 /nfs/dbraw/zinc/91/80/87/1131918087.db2.gz JVHBUUHKWPGSEN-LJQANCHMSA-N 1 1 335.407 3.846 20 30 EHEDMO C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001172956287 1131930565 /nfs/dbraw/zinc/93/05/65/1131930565.db2.gz HIFAXRUHUAWSJS-HNNXBMFYSA-N 1 1 343.471 3.562 20 30 EHEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2OCC#N)C1(C)C ZINC000752073998 1131959535 /nfs/dbraw/zinc/95/95/35/1131959535.db2.gz AMDRSFJNJFWVQH-AEFFLSMTSA-N 1 1 336.863 3.878 20 30 EHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccc(C)cc1 ZINC000743843502 1131982207 /nfs/dbraw/zinc/98/22/07/1131982207.db2.gz ZWSFGQIUMBFIIZ-IBGZPJMESA-N 1 1 326.396 3.625 20 30 EHEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@H](C)Cc3ccc(CC)cc3)C2)C1=O ZINC001173239783 1132028212 /nfs/dbraw/zinc/02/82/12/1132028212.db2.gz JVHQSYOOGCSNDC-GCJKJVERSA-N 1 1 340.511 3.681 20 30 EHEDMO C=CCOC1CCC([N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)CC1 ZINC001173322592 1132045095 /nfs/dbraw/zinc/04/50/95/1132045095.db2.gz GGOLCKAAGRIPFM-XBCQCDMNSA-N 1 1 340.511 3.707 20 30 EHEDMO C=CCOC1CCC([NH2+][C@H](C(=O)OC(C)(C)C)[C@@H](C)CC)CC1 ZINC001173313880 1132046181 /nfs/dbraw/zinc/04/61/81/1132046181.db2.gz AXCDXLKUHKBFQX-OTBWCIGPSA-N 1 1 325.493 3.846 20 30 EHEDMO C=CCOC1CCC([N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)CC1 ZINC001173323577 1132046593 /nfs/dbraw/zinc/04/65/93/1132046593.db2.gz DSULHFPVVCMZEG-SOAGJPPSSA-N 1 1 340.467 3.915 20 30 EHEDMO CC(C)(C)OC(=O)N[C@H]1CCCC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173331156 1132049460 /nfs/dbraw/zinc/04/94/60/1132049460.db2.gz MBJUPKIPPVFUAK-CGZBRXJRSA-N 1 1 335.492 3.838 20 30 EHEDMO Cc1ccc(CN2C[C@H]3C[NH+](C4CCC(CC#N)CC4)C[C@@H]3C2)cc1 ZINC001173336419 1132052812 /nfs/dbraw/zinc/05/28/12/1132052812.db2.gz YKJFLSAMMRQQMZ-IITXJAJYSA-N 1 1 337.511 3.831 20 30 EHEDMO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1C1CCC(CC#N)CC1 ZINC001173337587 1132052878 /nfs/dbraw/zinc/05/28/78/1132052878.db2.gz PGFJAHYEMDEWQM-SOEBMCCKSA-N 1 1 335.492 3.836 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@H+](C3CCC(C)(C#N)CC3)C[C@@H]21 ZINC001173592829 1132097791 /nfs/dbraw/zinc/09/77/91/1132097791.db2.gz BMXNCYADOSXDFD-YJBCQJRQSA-N 1 1 347.503 3.790 20 30 EHEDMO C[C@H]1C[N@H+](C2CCC(C)(C#N)CC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001173597962 1132100651 /nfs/dbraw/zinc/10/06/51/1132100651.db2.gz KIHOOWDHJUORRU-RXDZZFBJSA-N 1 1 335.492 3.789 20 30 EHEDMO CC[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(C)(C#N)CC1 ZINC001173598713 1132101045 /nfs/dbraw/zinc/10/10/45/1132101045.db2.gz UVPHCOPINBOUBO-WUJZJPHMSA-N 1 1 335.492 3.790 20 30 EHEDMO CC1(C#N)CCC([N@H+]2CCC[C@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001173597358 1132101320 /nfs/dbraw/zinc/10/13/20/1132101320.db2.gz QKSKHLDRZKABLA-JSOIOWGOSA-N 1 1 340.467 3.914 20 30 EHEDMO N#C[C@@H]1CC[N@@H+]([C@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173715602 1132134697 /nfs/dbraw/zinc/13/46/97/1132134697.db2.gz VOPVDWJDFYZCJR-RXVVDRJESA-N 1 1 332.447 3.968 20 30 EHEDMO N#C[C@@H]1CC[N@H+]([C@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173715602 1132134699 /nfs/dbraw/zinc/13/46/99/1132134699.db2.gz VOPVDWJDFYZCJR-RXVVDRJESA-N 1 1 332.447 3.968 20 30 EHEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc4ncsc4c3)sc2C1 ZINC001174363142 1132335943 /nfs/dbraw/zinc/33/59/43/1132335943.db2.gz HONTXOHJEZMYQY-UHFFFAOYSA-N 1 1 326.450 3.961 20 30 EHEDMO N#Cc1cc(F)c(Nc2ccc(C[NH+]3CCOCC3)cc2)c(Cl)c1 ZINC001174446417 1132363337 /nfs/dbraw/zinc/36/33/37/1132363337.db2.gz CVWFLESFVKIWAT-UHFFFAOYSA-N 1 1 345.805 3.927 20 30 EHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H]2Cc2ccccc2)c1C#N ZINC000773425979 1132502132 /nfs/dbraw/zinc/50/21/32/1132502132.db2.gz XSHWJVCIVUMXMT-HXUWFJFHSA-N 1 1 342.446 3.869 20 30 EHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H]2Cc2ccccc2)c1C#N ZINC000773425979 1132502141 /nfs/dbraw/zinc/50/21/41/1132502141.db2.gz XSHWJVCIVUMXMT-HXUWFJFHSA-N 1 1 342.446 3.869 20 30 EHEDMO COc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c(F)c1F ZINC001175021479 1132531812 /nfs/dbraw/zinc/53/18/12/1132531812.db2.gz OKMNWPLWRPEOIC-UHFFFAOYSA-N 1 1 335.379 3.638 20 30 EHEDMO C#CC[N@@H+](CC)CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000746457640 1132541041 /nfs/dbraw/zinc/54/10/41/1132541041.db2.gz OSOABOVNNSVOPE-FQEVSTJZSA-N 1 1 340.854 3.501 20 30 EHEDMO C#CC[N@H+](CC)CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000746457640 1132541046 /nfs/dbraw/zinc/54/10/46/1132541046.db2.gz OSOABOVNNSVOPE-FQEVSTJZSA-N 1 1 340.854 3.501 20 30 EHEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000746457643 1132541179 /nfs/dbraw/zinc/54/11/79/1132541179.db2.gz OTUSTEAQUYQKSH-QGZVFWFLSA-N 1 1 336.435 3.548 20 30 EHEDMO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000746457643 1132541181 /nfs/dbraw/zinc/54/11/81/1132541181.db2.gz OTUSTEAQUYQKSH-QGZVFWFLSA-N 1 1 336.435 3.548 20 30 EHEDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000746468468 1132549670 /nfs/dbraw/zinc/54/96/70/1132549670.db2.gz COSGQSVUVRNUSB-IBGZPJMESA-N 1 1 344.474 3.586 20 30 EHEDMO C/C=C\C[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC001175052897 1132550492 /nfs/dbraw/zinc/55/04/92/1132550492.db2.gz KBOZFWNDNWSUJT-SFAKSCPVSA-N 1 1 331.847 3.828 20 30 EHEDMO C/C=C\C[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC001175052897 1132550498 /nfs/dbraw/zinc/55/04/98/1132550498.db2.gz KBOZFWNDNWSUJT-SFAKSCPVSA-N 1 1 331.847 3.828 20 30 EHEDMO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@H+]1Cc1ccncc1C#N ZINC001175492207 1132682617 /nfs/dbraw/zinc/68/26/17/1132682617.db2.gz OLKXDCRJDFKTQB-IBGZPJMESA-N 1 1 327.378 3.829 20 30 EHEDMO Cn1cc([C@@H]([NH2+]Cc2cc(Cl)cc(C#N)c2)c2ccccc2)cn1 ZINC001169219138 1132698433 /nfs/dbraw/zinc/69/84/33/1132698433.db2.gz WGYBHMNNSBECBR-IBGZPJMESA-N 1 1 336.826 3.824 20 30 EHEDMO Clc1ccc(C#CC[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)cc1 ZINC001175560621 1132710877 /nfs/dbraw/zinc/71/08/77/1132710877.db2.gz NFJADBDUGAMLHO-IBGZPJMESA-N 1 1 337.854 3.571 20 30 EHEDMO Clc1ccc(C#CC[N@@H+]2Cc3cccnc3N3CCC[C@H]3C2)cc1 ZINC001175560621 1132710880 /nfs/dbraw/zinc/71/08/80/1132710880.db2.gz NFJADBDUGAMLHO-IBGZPJMESA-N 1 1 337.854 3.571 20 30 EHEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCc3c(C)cc(C)cc3C2)cc1 ZINC001169418880 1132749114 /nfs/dbraw/zinc/74/91/14/1132749114.db2.gz CNJMFDKNCIIBFE-UHFFFAOYSA-N 1 1 332.447 3.672 20 30 EHEDMO C=CC[C@H]1[N@@H+](CC(=O)c2[nH]c(C)c(C(=O)OC)c2C)CCCC1(C)C ZINC001169843281 1132874345 /nfs/dbraw/zinc/87/43/45/1132874345.db2.gz BJYDWUWRMQJLKZ-MRXNPFEDSA-N 1 1 346.471 3.668 20 30 EHEDMO C=CC[C@H]1[N@@H+](CC(=O)N(CCC)CC(F)(F)F)CCCC1(C)C ZINC001169845936 1132875337 /nfs/dbraw/zinc/87/53/37/1132875337.db2.gz YUHXHZJFVBMYPR-CQSZACIVSA-N 1 1 334.426 3.854 20 30 EHEDMO CCC#C[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001176226094 1132879544 /nfs/dbraw/zinc/87/95/44/1132879544.db2.gz ADNQUOSYTRLBEI-BFHYXJOUSA-N 1 1 348.409 3.566 20 30 EHEDMO CCC#C[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001176226094 1132879552 /nfs/dbraw/zinc/87/95/52/1132879552.db2.gz ADNQUOSYTRLBEI-BFHYXJOUSA-N 1 1 348.409 3.566 20 30 EHEDMO C[C@@]1(Cc2cccs2)CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC001176665008 1132978967 /nfs/dbraw/zinc/97/89/67/1132978967.db2.gz PSMWFEPHBSCZOV-IBGZPJMESA-N 1 1 339.464 3.655 20 30 EHEDMO C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C[C@H]1n1ccnc1 ZINC000767435739 1133001991 /nfs/dbraw/zinc/00/19/91/1133001991.db2.gz VYYSZPRYJSRFKN-WMLDXEAASA-N 1 1 344.846 3.522 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCO2)c(Br)c1 ZINC001176927867 1133010797 /nfs/dbraw/zinc/01/07/97/1133010797.db2.gz ZGQVMCCTYJDOQE-SJORKVTESA-N 1 1 349.272 3.854 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)c(Br)c1 ZINC001176927867 1133010802 /nfs/dbraw/zinc/01/08/02/1133010802.db2.gz ZGQVMCCTYJDOQE-SJORKVTESA-N 1 1 349.272 3.854 20 30 EHEDMO CCN(CC)[C@H](C[NH2+]Cc1csc(C#N)c1)Cc1ccccc1 ZINC001177222999 1133042357 /nfs/dbraw/zinc/04/23/57/1133042357.db2.gz YIXYEIFJGCFQDM-SFHVURJKSA-N 1 1 327.497 3.662 20 30 EHEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC000767907282 1133071012 /nfs/dbraw/zinc/07/10/12/1133071012.db2.gz YARPPSPYWUWQOS-FGZHOGPDSA-N 1 1 339.479 3.858 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1cc(C#N)cc(Cl)n1 ZINC000768380305 1133135295 /nfs/dbraw/zinc/13/52/95/1133135295.db2.gz MYCSVGXPMNGDFV-ZDUSSCGKSA-N 1 1 339.830 3.526 20 30 EHEDMO Cc1ccc(C[NH2+]Cc2cc(C#N)ccc2Br)cc1C#N ZINC001179562856 1133258858 /nfs/dbraw/zinc/25/88/58/1133258858.db2.gz VNAUIKMWVVIVOR-UHFFFAOYSA-N 1 1 340.224 3.791 20 30 EHEDMO C#CCCOc1ccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)cc1 ZINC000769422521 1133280854 /nfs/dbraw/zinc/28/08/54/1133280854.db2.gz BXJNIHDHUNNGAH-QFIPXVFZSA-N 1 1 335.447 3.571 20 30 EHEDMO C#CCOc1ccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000769498496 1133302885 /nfs/dbraw/zinc/30/28/85/1133302885.db2.gz JBBUPLZUQYSKBA-NRFANRHFSA-N 1 1 335.447 3.737 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)cc1O ZINC001180183725 1133336653 /nfs/dbraw/zinc/33/66/53/1133336653.db2.gz FPLQWVSXVGEOIE-UHFFFAOYSA-N 1 1 330.815 3.566 20 30 EHEDMO FC(F)(F)CN[NH+]=Cc1cc2ccccc2nc1N1CCCCC1 ZINC000769822064 1133344217 /nfs/dbraw/zinc/34/42/17/1133344217.db2.gz OPCIXXQJFVDFKM-UHFFFAOYSA-N 1 1 336.361 3.711 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCCCCCC)C2)cc1 ZINC001180189891 1133346442 /nfs/dbraw/zinc/34/64/42/1133346442.db2.gz XLDPTPCUDBQSHT-HXUWFJFHSA-N 1 1 326.484 3.576 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1snc(Cl)c1C#N ZINC000771257741 1133532303 /nfs/dbraw/zinc/53/23/03/1133532303.db2.gz FLRJAIQXPQGLIS-QWHCGFSZSA-N 1 1 346.887 3.767 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1snc(Cl)c1C#N ZINC000771257741 1133532308 /nfs/dbraw/zinc/53/23/08/1133532308.db2.gz FLRJAIQXPQGLIS-QWHCGFSZSA-N 1 1 346.887 3.767 20 30 EHEDMO C#CCCCCCCCCC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC001182186279 1133584817 /nfs/dbraw/zinc/58/48/17/1133584817.db2.gz DXBQNZOCDOZTPE-UHFFFAOYSA-N 1 1 341.499 3.793 20 30 EHEDMO C[N@H+](Cc1ccccc1)[C@H](C(=O)NCC1(C#N)CCC1)c1ccccc1 ZINC001182247361 1133600678 /nfs/dbraw/zinc/60/06/78/1133600678.db2.gz SQLMTOAQMAHXMG-FQEVSTJZSA-N 1 1 347.462 3.670 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@H](C(=O)NCC1(C#N)CCC1)c1ccccc1 ZINC001182247361 1133600682 /nfs/dbraw/zinc/60/06/82/1133600682.db2.gz SQLMTOAQMAHXMG-FQEVSTJZSA-N 1 1 347.462 3.670 20 30 EHEDMO Cc1[nH+]ccn1CCOC(=O)c1ccccc1-c1ccccc1C#N ZINC000771870646 1133603042 /nfs/dbraw/zinc/60/30/42/1133603042.db2.gz SGWWCCYLMWWFMC-UHFFFAOYSA-N 1 1 331.375 3.587 20 30 EHEDMO C#Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3C)C2)cc1 ZINC001182346007 1133639618 /nfs/dbraw/zinc/63/96/18/1133639618.db2.gz PYCUZERWOCBLTL-QFIPXVFZSA-N 1 1 346.474 3.505 20 30 EHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cc(C(=O)OC)co2)c1 ZINC000774243769 1133645354 /nfs/dbraw/zinc/64/53/54/1133645354.db2.gz NDAHAVQCEGCTAL-CJNGLKHVSA-N 1 1 342.395 3.598 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cc(C(=O)OC)co2)c1 ZINC000774243787 1133646356 /nfs/dbraw/zinc/64/63/56/1133646356.db2.gz NDAHAVQCEGCTAL-CZUORRHYSA-N 1 1 342.395 3.598 20 30 EHEDMO Cc1cc(C#N)cc(C)c1C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001182959798 1133751424 /nfs/dbraw/zinc/75/14/24/1133751424.db2.gz UFYQVAGSWAWRBC-YLJYHZDGSA-N 1 1 347.462 3.568 20 30 EHEDMO C#CC[C@@H](OC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)C(C)(C)C ZINC000786491116 1133854754 /nfs/dbraw/zinc/85/47/54/1133854754.db2.gz OHOMGNMOTYLQBK-CQSZACIVSA-N 1 1 347.365 3.800 20 30 EHEDMO C[N@@H+](CCn1ccc(-c2ccc(C#N)cc2)n1)Cc1ccc(F)cc1 ZINC000786743613 1133894789 /nfs/dbraw/zinc/89/47/89/1133894789.db2.gz JHDDNANUNLHMJJ-UHFFFAOYSA-N 1 1 334.398 3.693 20 30 EHEDMO CCCC#CC(=O)n1c2ccc(OCC)cc2c(=[NH2+])c2ccc(N)cc21 ZINC001184273582 1133914307 /nfs/dbraw/zinc/91/43/07/1133914307.db2.gz SSFJOTNAJAPBNN-UHFFFAOYSA-N 1 1 347.418 3.699 20 30 EHEDMO C=C[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccccc1 ZINC001170072293 1133999694 /nfs/dbraw/zinc/99/96/94/1133999694.db2.gz ISDCFQGIDXYKJU-GHTZIAJQSA-N 1 1 334.463 3.862 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)[C@@H](C)CCSc2ccccc2)n1 ZINC000789328858 1134257688 /nfs/dbraw/zinc/25/76/88/1134257688.db2.gz AFNWZJFYUWEFMR-KRWDZBQOSA-N 1 1 327.497 3.909 20 30 EHEDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@@H]1C[C@@H]1C#N ZINC001186981744 1134280717 /nfs/dbraw/zinc/28/07/17/1134280717.db2.gz JJABOFCHMIDCPR-NVXWUHKLSA-N 1 1 344.418 3.861 20 30 EHEDMO Cc1cc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)ccc1C#N ZINC000775089769 1134304935 /nfs/dbraw/zinc/30/49/35/1134304935.db2.gz QMLFPIQRJLCKGW-UHFFFAOYSA-N 1 1 342.389 3.629 20 30 EHEDMO CCC(CC)[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)NCCC#N ZINC000791595595 1134579969 /nfs/dbraw/zinc/57/99/69/1134579969.db2.gz TVANMNCNKLFHDC-GOSISDBHSA-N 1 1 335.879 3.779 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000791606130 1134583045 /nfs/dbraw/zinc/58/30/45/1134583045.db2.gz QXZCHHBMJBNYGM-FPOVZHCZSA-N 1 1 348.446 3.879 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000791606130 1134583047 /nfs/dbraw/zinc/58/30/47/1134583047.db2.gz QXZCHHBMJBNYGM-FPOVZHCZSA-N 1 1 348.446 3.879 20 30 EHEDMO CC(C)(C#N)CCC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000791641889 1134583689 /nfs/dbraw/zinc/58/36/89/1134583689.db2.gz NMMCBCMIOVGXHD-GOSISDBHSA-N 1 1 328.456 3.914 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000791641889 1134583693 /nfs/dbraw/zinc/58/36/93/1134583693.db2.gz NMMCBCMIOVGXHD-GOSISDBHSA-N 1 1 328.456 3.914 20 30 EHEDMO CCCCCCCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940986 1134630040 /nfs/dbraw/zinc/63/00/40/1134630040.db2.gz ZKWLNEJVWLPVJI-BGYRXZFFSA-N 1 1 328.500 3.937 20 30 EHEDMO CC(C)[C@H](C(=O)[C@H](C#N)c1nccc2ccccc21)[NH+]1CCCCC1 ZINC000792094652 1134654173 /nfs/dbraw/zinc/65/41/73/1134654173.db2.gz PCHRSPARWQZOPX-UYAOXDASSA-N 1 1 335.451 3.922 20 30 EHEDMO COCC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)[C@@H]1CC[C@H](C)C1 ZINC000792193097 1134666695 /nfs/dbraw/zinc/66/66/95/1134666695.db2.gz QQUMYGICSXSDOC-FXAWDEMLSA-N 1 1 329.488 3.673 20 30 EHEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)CCC1 ZINC001190540585 1134715738 /nfs/dbraw/zinc/71/57/38/1134715738.db2.gz JAIJIRKVWFFTQM-IRXDYDNUSA-N 1 1 332.875 3.792 20 30 EHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@@]3(CCC(=O)O3)C2)CC1 ZINC001170396298 1134764375 /nfs/dbraw/zinc/76/43/75/1134764375.db2.gz WKAKNPWIAWENEK-DQVLVPHSSA-N 1 1 338.451 3.562 20 30 EHEDMO C=CC1CC[NH+](Cc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC001191013925 1134779679 /nfs/dbraw/zinc/77/96/79/1134779679.db2.gz SRGGARUPHRYXOW-GFCCVEGCSA-N 1 1 342.512 3.796 20 30 EHEDMO CCCCCCCNC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001191101621 1134793415 /nfs/dbraw/zinc/79/34/15/1134793415.db2.gz QAAVZKBHYOUNRB-UXHICEINSA-N 1 1 343.515 3.873 20 30 EHEDMO CCCCCCCNC(=O)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001191096395 1134800996 /nfs/dbraw/zinc/80/09/96/1134800996.db2.gz XSULFTLZTOKDPY-IBGZPJMESA-N 1 1 329.488 3.581 20 30 EHEDMO CCCCCCCNC(=O)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001191096395 1134801004 /nfs/dbraw/zinc/80/10/04/1134801004.db2.gz XSULFTLZTOKDPY-IBGZPJMESA-N 1 1 329.488 3.581 20 30 EHEDMO C[C@H]1CCC[N@@H+](CC2CCC(C#N)CC2)[C@H]1CNC(=O)OC(C)(C)C ZINC001191375973 1134859810 /nfs/dbraw/zinc/85/98/10/1134859810.db2.gz ZYSAIJZFGDDZMZ-BFWZDYSYSA-N 1 1 349.519 3.942 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(F)cc(C(F)(F)F)c1 ZINC001191600624 1134895031 /nfs/dbraw/zinc/89/50/31/1134895031.db2.gz HXFRQKUPWAGJBZ-AWEZNQCLSA-N 1 1 345.340 3.616 20 30 EHEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 ZINC001191928512 1134943603 /nfs/dbraw/zinc/94/36/03/1134943603.db2.gz KGGVKISVCZSRKO-DENIHFKCSA-N 1 1 345.446 3.953 20 30 EHEDMO C=CCOc1ccc(C[N@H+](CCc2cnccn2)C(C)(C)C)cc1 ZINC001192052176 1134961545 /nfs/dbraw/zinc/96/15/45/1134961545.db2.gz AXQKHLVIZWPTRA-UHFFFAOYSA-N 1 1 325.456 3.885 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC001192489807 1135028403 /nfs/dbraw/zinc/02/84/03/1135028403.db2.gz ISHLHTPOFZEWMA-NRFANRHFSA-N 1 1 349.478 3.976 20 30 EHEDMO COC(=O)[C@H]1CCCC[C@H]1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC001192489608 1135028836 /nfs/dbraw/zinc/02/88/36/1135028836.db2.gz GYYUTOASOAEZIH-HKUYNNGSSA-N 1 1 326.440 3.502 20 30 EHEDMO CON=Cc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc1 ZINC000794233637 1135030031 /nfs/dbraw/zinc/03/00/31/1135030031.db2.gz OLFUOFCJCAFLKF-UHFFFAOYSA-N 1 1 345.830 3.634 20 30 EHEDMO C#C[C@H](NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccc(Cl)cc1F ZINC000804420404 1135063999 /nfs/dbraw/zinc/06/39/99/1135063999.db2.gz HIEOALBEYYYPEP-LKQDWFRTSA-N 1 1 336.838 3.531 20 30 EHEDMO CCC[N@H+](CCc1cccs1)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC001193141763 1135108921 /nfs/dbraw/zinc/10/89/21/1135108921.db2.gz NPIZQZCKHFOICM-SFHVURJKSA-N 1 1 342.464 3.789 20 30 EHEDMO CCC[N@@H+](CCc1cccs1)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC001193141763 1135108924 /nfs/dbraw/zinc/10/89/24/1135108924.db2.gz NPIZQZCKHFOICM-SFHVURJKSA-N 1 1 342.464 3.789 20 30 EHEDMO Cc1cc(C#N)cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001129684868 1135135479 /nfs/dbraw/zinc/13/54/79/1135135479.db2.gz HZYGLTPGDIZOII-LJQANCHMSA-N 1 1 333.435 3.717 20 30 EHEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCCC2(CCCCC2)CC1 ZINC001193438446 1135135595 /nfs/dbraw/zinc/13/55/95/1135135595.db2.gz UWSFGLUAWLKAJF-IBGZPJMESA-N 1 1 342.483 3.734 20 30 EHEDMO CC[C@H]1CN(c2nc(Cl)c(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000804614288 1135139260 /nfs/dbraw/zinc/13/92/60/1135139260.db2.gz XLLMMDLKAUNJTH-AWEZNQCLSA-N 1 1 346.887 3.769 20 30 EHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCC[C@H]1COC(=O)NC(C)C ZINC001194125946 1135228930 /nfs/dbraw/zinc/22/89/30/1135228930.db2.gz WVGHYNOQACUWNX-SFHVURJKSA-N 1 1 343.471 3.664 20 30 EHEDMO C=CC[C@H]1CCC[N@H+](CC(=O)N[C@H](CC)c2ccccc2OCC)C1 ZINC001195946086 1135497805 /nfs/dbraw/zinc/49/78/05/1135497805.db2.gz GKWHWHHEQPFUHJ-PKOBYXMFSA-N 1 1 344.499 3.941 20 30 EHEDMO CCN(C(=O)C#Cc1ccccc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000747367337 1135512627 /nfs/dbraw/zinc/51/26/27/1135512627.db2.gz CDLTXCUCBMSVSA-SIKLNZKXSA-N 1 1 346.474 3.722 20 30 EHEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)C[C@H]2CC2(C)C)ccc1Cl ZINC001196460475 1135570001 /nfs/dbraw/zinc/57/00/01/1135570001.db2.gz ZMEVRZMQWOOLFK-OAHLLOKOSA-N 1 1 347.890 3.873 20 30 EHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)CN1CC2(CCCC2)CC1=O ZINC000747454985 1135612876 /nfs/dbraw/zinc/61/28/76/1135612876.db2.gz WFKWPHNILNEZTJ-UHFFFAOYSA-N 1 1 339.483 3.766 20 30 EHEDMO O[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001196773399 1135613629 /nfs/dbraw/zinc/61/36/29/1135613629.db2.gz PDPHYHBLCQUNHE-WOJBJXKFSA-N 1 1 325.839 3.890 20 30 EHEDMO O[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC001196773399 1135613632 /nfs/dbraw/zinc/61/36/32/1135613632.db2.gz PDPHYHBLCQUNHE-WOJBJXKFSA-N 1 1 325.839 3.890 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000747532597 1135755527 /nfs/dbraw/zinc/75/55/27/1135755527.db2.gz NIICQCNOBKDACI-SFHVURJKSA-N 1 1 334.847 3.635 20 30 EHEDMO COc1ccc(C[N@H+](CC#Cc2ccccc2Cl)CCCO)cc1 ZINC001198518071 1135829804 /nfs/dbraw/zinc/82/98/04/1135829804.db2.gz VVINFPXSVXCGBF-UHFFFAOYSA-N 1 1 343.854 3.585 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001198676502 1135846614 /nfs/dbraw/zinc/84/66/14/1135846614.db2.gz SCQNZBDFFWNOEQ-AEFFLSMTSA-N 1 1 334.847 3.776 20 30 EHEDMO C#C[C@@H](C)[NH2+]Cc1c(C)nn(-c2cccc(C(F)(F)F)c2)c1Cl ZINC000809683394 1135871215 /nfs/dbraw/zinc/87/12/15/1135871215.db2.gz BSOSMTYUTGZSQD-SNVBAGLBSA-N 1 1 341.764 3.964 20 30 EHEDMO Cc1cc(C#N)cc(C)c1C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001132075053 1135921694 /nfs/dbraw/zinc/92/16/94/1135921694.db2.gz HDXGPHLBJWXABX-GOSISDBHSA-N 1 1 347.462 3.694 20 30 EHEDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC001132075709 1135921961 /nfs/dbraw/zinc/92/19/61/1135921961.db2.gz VTKRTZBQBPZGOM-SFHVURJKSA-N 1 1 339.483 3.756 20 30 EHEDMO CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000105456702 1135948115 /nfs/dbraw/zinc/94/81/15/1135948115.db2.gz RHWFWGGVHCYMDN-LJQANCHMSA-N 1 1 329.488 3.579 20 30 EHEDMO CC(C)[N@@H+]1CCC[C@H](CNCc2cccc(OCCCC#N)c2)C1 ZINC000105456702 1135948117 /nfs/dbraw/zinc/94/81/17/1135948117.db2.gz RHWFWGGVHCYMDN-LJQANCHMSA-N 1 1 329.488 3.579 20 30 EHEDMO CC(C)[N@H+]1CCC[C@H](CNCc2cccc(OCCCC#N)c2)C1 ZINC000105456702 1135948119 /nfs/dbraw/zinc/94/81/19/1135948119.db2.gz RHWFWGGVHCYMDN-LJQANCHMSA-N 1 1 329.488 3.579 20 30 EHEDMO C[C@@]1(COC(=O)c2cccc(C#N)n2)CCCC[N@H+]1Cc1ccccc1 ZINC000810665615 1135990915 /nfs/dbraw/zinc/99/09/15/1135990915.db2.gz DKDRCXJSDWYLDD-NRFANRHFSA-N 1 1 349.434 3.555 20 30 EHEDMO C=CCOc1cccc(C[NH2+][C@H](CC(N)=O)c2ccccc2Cl)c1 ZINC001201734801 1136062384 /nfs/dbraw/zinc/06/23/84/1136062384.db2.gz OKGBVCDNSUPBRJ-GOSISDBHSA-N 1 1 344.842 3.611 20 30 EHEDMO CCCCCCCC[N@H+]1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001201815164 1136064936 /nfs/dbraw/zinc/06/49/36/1136064936.db2.gz YEMUVVCPKNEVMF-HXUWFJFHSA-N 1 1 329.488 3.871 20 30 EHEDMO CCCCCCCCC[N@@H+]1Cc2ccnn2C[C@H](C(=O)NC(C)C)C1 ZINC001201840017 1136069409 /nfs/dbraw/zinc/06/94/09/1136069409.db2.gz RRHFFHGJAVKTOA-GOSISDBHSA-N 1 1 348.535 3.590 20 30 EHEDMO CCCCCCCCC[N@@H+]1Cc2nnn(CC)c2[C@H](COCC)C1 ZINC001201840160 1136069858 /nfs/dbraw/zinc/06/98/58/1136069858.db2.gz VZUIPXPNYKSWQN-KRWDZBQOSA-N 1 1 336.524 3.984 20 30 EHEDMO CC(C)(C)c1ccc2[nH]cc(C=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)c2c1 ZINC000811645415 1136115935 /nfs/dbraw/zinc/11/59/35/1136115935.db2.gz LIQXHYOFKZHPTF-ROUUACIJSA-N 1 1 337.471 3.659 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CCCC(F)(F)F)[C@H]2CC ZINC001202393727 1136141465 /nfs/dbraw/zinc/14/14/65/1136141465.db2.gz DMKLVERIAKUANS-HOCLYGCPSA-N 1 1 332.410 3.751 20 30 EHEDMO N#Cc1ccc(CN2CC[NH+](Cc3cc4ccccc4o3)CC2)cc1 ZINC000338922473 1136172761 /nfs/dbraw/zinc/17/27/61/1136172761.db2.gz YFVKVFIUOBGDKV-UHFFFAOYSA-N 1 1 331.419 3.622 20 30 EHEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000812780601 1136246370 /nfs/dbraw/zinc/24/63/70/1136246370.db2.gz KBJYULCDRFWJNI-QHCPKHFHSA-N 1 1 349.474 3.516 20 30 EHEDMO COCCCCc1ccc[nH+]c1NCc1ccc(O[C@H](C)C#N)cc1 ZINC000812808120 1136254183 /nfs/dbraw/zinc/25/41/83/1136254183.db2.gz SKGIZDFIYDKTPJ-MRXNPFEDSA-N 1 1 339.439 3.954 20 30 EHEDMO C#C[C@@H]1CCCC[C@@H]1OC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000851535820 1136388719 /nfs/dbraw/zinc/38/87/19/1136388719.db2.gz BNZFCNJWIGWHPQ-DOMZBBRYSA-N 1 1 345.349 3.554 20 30 EHEDMO C[C@H](CC#N)[N@H+](C)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000851808238 1136409661 /nfs/dbraw/zinc/40/96/61/1136409661.db2.gz FOEAZBJQXMYXDR-OAHLLOKOSA-N 1 1 343.471 3.714 20 30 EHEDMO C[C@H](CC#N)[N@@H+](C)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000851808238 1136409663 /nfs/dbraw/zinc/40/96/63/1136409663.db2.gz FOEAZBJQXMYXDR-OAHLLOKOSA-N 1 1 343.471 3.714 20 30 EHEDMO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000776580755 1136445253 /nfs/dbraw/zinc/44/52/53/1136445253.db2.gz ZUAACSNCAJQSMK-KUHUBIRLSA-N 1 1 339.395 3.583 20 30 EHEDMO C=C(CC)C[N@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852472848 1136458560 /nfs/dbraw/zinc/45/85/60/1136458560.db2.gz GXHMSHHQYVNLPB-GJZGRUSLSA-N 1 1 332.410 3.608 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+](CCCC#N)C2)C1 ZINC000814674668 1136488993 /nfs/dbraw/zinc/48/89/93/1136488993.db2.gz XBKCJWYBWQXPGF-IRXDYDNUSA-N 1 1 335.492 3.649 20 30 EHEDMO C#CC[N@H+](CCC(=O)Nc1ccccc1F)[C@H]1CCc2ccccc21 ZINC000110981630 1136494466 /nfs/dbraw/zinc/49/44/66/1136494466.db2.gz MEABHMOHNKYAKM-FQEVSTJZSA-N 1 1 336.410 3.777 20 30 EHEDMO C=CCC(F)(F)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000815008148 1136536629 /nfs/dbraw/zinc/53/66/29/1136536629.db2.gz POKXMLCODSWSED-OAHLLOKOSA-N 1 1 342.817 3.805 20 30 EHEDMO CC1(C)Cc2c(cnn2-c2ccccc2F)C[N@H+](CCCC#N)C1 ZINC000854066557 1136585229 /nfs/dbraw/zinc/58/52/29/1136585229.db2.gz YGXIKFMKRHZVNU-UHFFFAOYSA-N 1 1 326.419 3.699 20 30 EHEDMO C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1cccc(C#N)c1 ZINC000815446949 1136596458 /nfs/dbraw/zinc/59/64/58/1136596458.db2.gz IICUQZWWJXXQLZ-DNVCBOLYSA-N 1 1 326.440 3.960 20 30 EHEDMO C[N@H+]1CCC[C@@H](c2cccc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)c2)C1 ZINC000857194444 1136852507 /nfs/dbraw/zinc/85/25/07/1136852507.db2.gz GZBKLHKREVLRCV-MOPGFXCFSA-N 1 1 339.483 3.650 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000857772195 1136906722 /nfs/dbraw/zinc/90/67/22/1136906722.db2.gz WYASGTBPXREBSC-GOSISDBHSA-N 1 1 326.484 3.897 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1F 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336.395 3.516 20 30 EHEDMO Cc1ccc(C#N)cc1C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC001136700114 1137094601 /nfs/dbraw/zinc/09/46/01/1137094601.db2.gz YOXHXKRWQGTNEF-UHFFFAOYSA-N 1 1 335.451 3.637 20 30 EHEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@](O)(c4ccccc4)C3)cc2)CC1 ZINC000862482720 1137146448 /nfs/dbraw/zinc/14/64/48/1137146448.db2.gz LDPJWTGLVUETPM-JOCHJYFZSA-N 1 1 332.447 3.725 20 30 EHEDMO OC1CCN(c2ccc(C=[NH+]Nc3ccc(F)c(Cl)c3)cc2)CC1 ZINC000863179205 1137172833 /nfs/dbraw/zinc/17/28/33/1137172833.db2.gz QYYFIRUVEWOFAB-UHFFFAOYSA-N 1 1 347.821 3.886 20 30 EHEDMO CN(C)c1[nH+]cc(/C=C\C(=O)c2ccc(F)cc2C(F)(F)F)n1C ZINC000863194469 1137173508 /nfs/dbraw/zinc/17/35/08/1137173508.db2.gz JZKMAOHMKDVANM-ALCCZGGFSA-N 1 1 341.308 3.540 20 30 EHEDMO Cc1ccc(C2=CC[N@@H+](CCC(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000844261507 1137207065 /nfs/dbraw/zinc/20/70/65/1137207065.db2.gz DYAJDWBHRGOEDY-UHFFFAOYSA-N 1 1 345.446 3.985 20 30 EHEDMO C[C@@H](C#N)C[N@H+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000844289024 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3.560 20 30 EHEDMO CCCC[N@H+](CCC#N)Cc1ccc(Br)c(OC)c1 ZINC001144230590 1137257427 /nfs/dbraw/zinc/25/74/27/1137257427.db2.gz OPPIDDYSWRRIQP-UHFFFAOYSA-N 1 1 325.250 3.973 20 30 EHEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@@H]2NC(=O)c3ccccc32)cc1 ZINC001171129933 1137231235 /nfs/dbraw/zinc/23/12/35/1137231235.db2.gz NRWZCVIHEUQFFP-VQTJNVASSA-N 1 1 333.435 3.864 20 30 EHEDMO CCCC[N@@H+](CCC#N)Cc1ccc(Br)c(OC)c1 ZINC001144230590 1137257429 /nfs/dbraw/zinc/25/74/29/1137257429.db2.gz OPPIDDYSWRRIQP-UHFFFAOYSA-N 1 1 325.250 3.973 20 30 EHEDMO Cc1ccc(Oc2cccc(C[NH+]3CCN(CCC#N)CC3)c2)cc1 ZINC001144090390 1137236328 /nfs/dbraw/zinc/23/63/28/1137236328.db2.gz HHIHNEVOGMCAHB-UHFFFAOYSA-N 1 1 335.451 3.819 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)nc1 ZINC001144163083 1137246774 /nfs/dbraw/zinc/24/67/74/1137246774.db2.gz LGJVLAZTKLYRHN-LJQANCHMSA-N 1 1 341.842 3.788 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)nc1 ZINC001144163083 1137246776 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C[C@H](Cc1cccc(C#N)c1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001171225083 1137350834 /nfs/dbraw/zinc/35/08/34/1137350834.db2.gz XOHWWPCKFMOCIF-YSZBQJHXSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001171225083 1137350836 /nfs/dbraw/zinc/35/08/36/1137350836.db2.gz XOHWWPCKFMOCIF-YSZBQJHXSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001171225083 1137350838 /nfs/dbraw/zinc/35/08/38/1137350838.db2.gz XOHWWPCKFMOCIF-YSZBQJHXSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C1CCCC1)C1CCN(C)CC1 ZINC001171230212 1137355916 /nfs/dbraw/zinc/35/59/16/1137355916.db2.gz BUFQPJGDXMZAOD-KRWDZBQOSA-N 1 1 325.500 3.828 20 30 EHEDMO Cc1cccnc1O[C@@H]1CCC[N@H+]([C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171232790 1137356230 /nfs/dbraw/zinc/35/62/30/1137356230.db2.gz WMKNXSUWBGEHMO-FXAWDEMLSA-N 1 1 335.451 3.736 20 30 EHEDMO C[C@@H]([NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2)c1ccc(C#N)cc1 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3.522 20 30 EHEDMO C#C[C@H]1CCC[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000847032360 1137383735 /nfs/dbraw/zinc/38/37/35/1137383735.db2.gz WUIWVBYHDAKRIP-ZDUSSCGKSA-N 1 1 327.453 3.522 20 30 EHEDMO CCCCOc1ccccc1NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867927296 1137390082 /nfs/dbraw/zinc/39/00/82/1137390082.db2.gz DVTCITROAZLFBQ-FQEVSTJZSA-N 1 1 349.434 3.563 20 30 EHEDMO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cc2ccccc2s1 ZINC000348188710 1137452055 /nfs/dbraw/zinc/45/20/55/1137452055.db2.gz UISUZFCJXXFPRZ-SGTLLEGYSA-N 1 1 335.432 3.650 20 30 EHEDMO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001202530559 1137490969 /nfs/dbraw/zinc/49/09/69/1137490969.db2.gz SJQMYTVSAAYYCD-DENIHFKCSA-N 1 1 346.474 3.855 20 30 EHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CCc3c(C)cccc3C1)C2 ZINC001171572080 1137498987 /nfs/dbraw/zinc/49/89/87/1137498987.db2.gz SLEDTDCQKRUVMP-JAXLGGSGSA-N 1 1 341.495 3.678 20 30 EHEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@@H](C)CCc2ccc(C)cc2)C1 ZINC001171682425 1137503823 /nfs/dbraw/zinc/50/38/23/1137503823.db2.gz VFWPPFKERVJPDN-HKUYNNGSSA-N 1 1 330.472 3.693 20 30 EHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)NOc2cccc(C#N)c2)cc1 ZINC000870692865 1137505623 /nfs/dbraw/zinc/50/56/23/1137505623.db2.gz PNMOITNGWPDPLZ-UHFFFAOYSA-N 1 1 337.423 3.514 20 30 EHEDMO C[C@H]1C[C@H](N2CCc3cc(C#N)ccc3C2)C[N@H+]1Cc1ccccc1 ZINC001171744123 1137508058 /nfs/dbraw/zinc/50/80/58/1137508058.db2.gz DQHDVCQVWIGBOF-JTSKRJEESA-N 1 1 331.463 3.579 20 30 EHEDMO SC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172076256 1137530296 /nfs/dbraw/zinc/53/02/96/1137530296.db2.gz XGXUHTUFCZYSLJ-REPLKXPHSA-N 1 1 330.541 3.966 20 30 EHEDMO N#C[C@@H]1C[C@H](F)CN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172089894 1137532090 /nfs/dbraw/zinc/53/20/90/1137532090.db2.gz SRDWJHUVPKRRDJ-KNJMJIDISA-N 1 1 327.447 3.508 20 30 EHEDMO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H](C#N)CC1)C2 ZINC001172101567 1137536118 /nfs/dbraw/zinc/53/61/18/1137536118.db2.gz HPGAYSKEUATFKA-FJIDUMEYSA-N 1 1 347.503 3.933 20 30 EHEDMO C#C[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001172102724 1137536683 /nfs/dbraw/zinc/53/66/83/1137536683.db2.gz PQMXRZPWSJMIOF-WNRNVDISSA-N 1 1 332.488 3.652 20 30 EHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CSc3ccccc3C1)C2 ZINC001172203600 1137540650 /nfs/dbraw/zinc/54/06/50/1137540650.db2.gz IXKGNEGRADEFLG-WSTZPKSXSA-N 1 1 345.508 3.530 20 30 EHEDMO COCCCN1CCC([N@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001172255392 1137544909 /nfs/dbraw/zinc/54/49/09/1137544909.db2.gz PXKCBZMZBXPRMO-UHFFFAOYSA-N 1 1 335.536 3.816 20 30 EHEDMO COCCCN1CCC([N@@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001172255392 1137544911 /nfs/dbraw/zinc/54/49/11/1137544911.db2.gz PXKCBZMZBXPRMO-UHFFFAOYSA-N 1 1 335.536 3.816 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC001172306253 1137545742 /nfs/dbraw/zinc/54/57/42/1137545742.db2.gz JHGAGDBZDFDDBJ-IBGZPJMESA-N 1 1 333.479 3.697 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001172306253 1137545743 /nfs/dbraw/zinc/54/57/43/1137545743.db2.gz JHGAGDBZDFDDBJ-IBGZPJMESA-N 1 1 333.479 3.697 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001172306253 1137545745 /nfs/dbraw/zinc/54/57/45/1137545745.db2.gz JHGAGDBZDFDDBJ-IBGZPJMESA-N 1 1 333.479 3.697 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001172311067 1137546211 /nfs/dbraw/zinc/54/62/11/1137546211.db2.gz OCWCLUXBHKIALZ-DYESRHJHSA-N 1 1 345.446 3.904 20 30 EHEDMO CC(C)c1noc([C@@H]2CCC[N@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)n1 ZINC001172319341 1137546962 /nfs/dbraw/zinc/54/69/62/1137546962.db2.gz MYYKIBHYRTYYCR-MAUKXSAKSA-N 1 1 338.455 3.875 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@H+]1[C@H]2COC[C@@H]1C[C@H](C(=O)OC)C2 ZINC001172356818 1137554227 /nfs/dbraw/zinc/55/42/27/1137554227.db2.gz YKBCYLGEOWBPJH-TVFCKZIOSA-N 1 1 325.493 3.778 20 30 EHEDMO C=CC[NH+]1CCC(N[C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872033952 1137566602 /nfs/dbraw/zinc/56/66/02/1137566602.db2.gz KORTWMNYCUJWNK-CYBMUJFWSA-N 1 1 335.473 3.618 20 30 EHEDMO C#C[C@H]([NH2+][C@@H](COC)CC1CCOCC1)c1ccc(Cl)cc1F ZINC000825886907 1137656004 /nfs/dbraw/zinc/65/60/04/1137656004.db2.gz RRIPMYGSVWURNI-QAPCUYQASA-N 1 1 339.838 3.575 20 30 EHEDMO N#Cc1cnc(Cl)c(CNC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000876885169 1137664617 /nfs/dbraw/zinc/66/46/17/1137664617.db2.gz LYHXHPJQXAQXAE-HNNXBMFYSA-N 1 1 346.887 3.595 20 30 EHEDMO CC(C)[N@@H+](C)Cc1cccc(CNCc2cc(C#N)cnc2Cl)c1 ZINC000876980526 1137666875 /nfs/dbraw/zinc/66/68/75/1137666875.db2.gz GIPDVHBRCMDTFX-UHFFFAOYSA-N 1 1 342.874 3.737 20 30 EHEDMO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)cc1[N+](=O)[O-] ZINC000877073118 1137669599 /nfs/dbraw/zinc/66/95/99/1137669599.db2.gz CZYJHHARENMGPW-LLVKDONJSA-N 1 1 330.775 3.674 20 30 EHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H](OCc3ccccc3)C2)cc1 ZINC001137120577 1137677578 /nfs/dbraw/zinc/67/75/78/1137677578.db2.gz UVOYSQPPHNAGIT-OAQYLSRUSA-N 1 1 336.435 3.770 20 30 EHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)c1 ZINC000877576480 1137681811 /nfs/dbraw/zinc/68/18/11/1137681811.db2.gz MWISBQXWLMMAIO-HNNXBMFYSA-N 1 1 347.871 3.662 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000877609662 1137682873 /nfs/dbraw/zinc/68/28/73/1137682873.db2.gz MWXUADJYIVXIDE-BXWFABGCSA-N 1 1 335.492 3.553 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000877659139 1137684562 /nfs/dbraw/zinc/68/45/62/1137684562.db2.gz KFHPKFWQACZNHF-ICUGJSFKSA-N 1 1 347.503 3.504 20 30 EHEDMO Cc1ccc(-c2nn(C)cc2C[N@@H+](C)CCc2cccc(C#N)c2)o1 ZINC000877705094 1137686504 /nfs/dbraw/zinc/68/65/04/1137686504.db2.gz RZSQZXMVUJTGNL-UHFFFAOYSA-N 1 1 334.423 3.535 20 30 EHEDMO CC[N@@H+](C[C@H]1CC2(CO1)CCOCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000877990962 1137698636 /nfs/dbraw/zinc/69/86/36/1137698636.db2.gz KIURMDUMOGDDFK-VQIMIIECSA-N 1 1 328.456 3.527 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@H]1c1cccc(C)n1)c1ccccc1 ZINC000878199269 1137706854 /nfs/dbraw/zinc/70/68/54/1137706854.db2.gz WHIGCUPOIVCQBZ-VXKWHMMOSA-N 1 1 347.462 3.968 20 30 EHEDMO C#CC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1ccccc1 ZINC000878613372 1137722304 /nfs/dbraw/zinc/72/23/04/1137722304.db2.gz LSVQRSMEUUMVJY-JOCHJYFZSA-N 1 1 330.431 3.562 20 30 EHEDMO C#CC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1ccccc1 ZINC000878613372 1137722305 /nfs/dbraw/zinc/72/23/05/1137722305.db2.gz LSVQRSMEUUMVJY-JOCHJYFZSA-N 1 1 330.431 3.562 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCSC2(CCC2)CC1)c1ccccc1 ZINC000878708673 1137725902 /nfs/dbraw/zinc/72/59/02/1137725902.db2.gz VTJUYVZWYDMLCW-HXUWFJFHSA-N 1 1 342.508 3.789 20 30 EHEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c1 ZINC000879564621 1137751210 /nfs/dbraw/zinc/75/12/10/1137751210.db2.gz IAJREINRQHBQLM-JSGCOSHPSA-N 1 1 337.286 3.506 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CC[N@@H+](CCCCC#N)C1 ZINC000879653080 1137753956 /nfs/dbraw/zinc/75/39/56/1137753956.db2.gz MHWGHKPUICLYKQ-IBGZPJMESA-N 1 1 337.508 3.943 20 30 EHEDMO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccc(Cl)cc2)no1 ZINC000879683766 1137755242 /nfs/dbraw/zinc/75/52/42/1137755242.db2.gz YIDRQWXNWKAFEN-ZNXRZULTSA-N 1 1 341.842 3.794 20 30 EHEDMO CC(C)(O)[C@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000880147732 1137769365 /nfs/dbraw/zinc/76/93/65/1137769365.db2.gz ICCHLXPUOIPASR-NRFANRHFSA-N 1 1 348.490 3.979 20 30 EHEDMO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001137168956 1137816083 /nfs/dbraw/zinc/81/60/83/1137816083.db2.gz ZVZDPHJRMZRXHX-MRXNPFEDSA-N 1 1 327.815 3.650 20 30 EHEDMO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001137168956 1137816084 /nfs/dbraw/zinc/81/60/84/1137816084.db2.gz ZVZDPHJRMZRXHX-MRXNPFEDSA-N 1 1 327.815 3.650 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2ccc(Br)o2)cc1 ZINC000130683410 1137840970 /nfs/dbraw/zinc/84/09/70/1137840970.db2.gz BIWHWELUXSOYHW-LBPRGKRZSA-N 1 1 349.228 3.965 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccc(Br)o2)cc1 ZINC000130683410 1137840971 /nfs/dbraw/zinc/84/09/71/1137840971.db2.gz BIWHWELUXSOYHW-LBPRGKRZSA-N 1 1 349.228 3.965 20 30 EHEDMO C=C(C)[C@H]([NH2+]Cc1c2c(nn1C)CCSC2)c1ccc(F)c(F)c1 ZINC000883091818 1137844427 /nfs/dbraw/zinc/84/44/27/1137844427.db2.gz XYBDVABJNSURSX-SFHVURJKSA-N 1 1 349.450 3.895 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000131097186 1137846403 /nfs/dbraw/zinc/84/64/03/1137846403.db2.gz ASYNSAHWXIWWST-HXUWFJFHSA-N 1 1 343.434 3.572 20 30 EHEDMO CCc1ccc(NCc2ccc(OC)c(OCCCC#N)c2)[nH+]c1 ZINC000883386110 1137858967 /nfs/dbraw/zinc/85/89/67/1137858967.db2.gz ZSFHHKOJQBPMLF-UHFFFAOYSA-N 1 1 325.412 3.947 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](C)c1ccc(C#N)cc1 ZINC000103468812 1137876498 /nfs/dbraw/zinc/87/64/98/1137876498.db2.gz ODFIGCQHQFPRBO-INIZCTEOSA-N 1 1 346.434 3.842 20 30 EHEDMO CC(=O)N1CC[N@@H+](CCCCC2(C#N)CCC2)CC12CCCCC2 ZINC000930140843 1137885394 /nfs/dbraw/zinc/88/53/94/1137885394.db2.gz IGMYGLFDNDUKLR-UHFFFAOYSA-N 1 1 331.504 3.718 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000118393253 1137933652 /nfs/dbraw/zinc/93/36/52/1137933652.db2.gz CBKVCQGHRJNTLP-QGZVFWFLSA-N 1 1 330.435 3.703 20 30 EHEDMO C#CCCCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000120187052 1137947200 /nfs/dbraw/zinc/94/72/00/1137947200.db2.gz MCJTZWAMYQARKJ-AZUAARDMSA-N 1 1 326.484 3.692 20 30 EHEDMO Cc1ccc([C@H]2CSCC[N@H+]2C[C@@H](O)CC2(C#N)CCC2)cc1 ZINC000886012616 1138032140 /nfs/dbraw/zinc/03/21/40/1138032140.db2.gz LGFLUPZOKPTXGD-ZWKOTPCHSA-N 1 1 330.497 3.530 20 30 EHEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000886357674 1138070706 /nfs/dbraw/zinc/07/07/06/1138070706.db2.gz KBTRCLVZHXZBLN-ZFWWWQNUSA-N 1 1 329.831 3.720 20 30 EHEDMO CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1C ZINC000075614631 1138128705 /nfs/dbraw/zinc/12/87/05/1138128705.db2.gz OQPRFKVDDARNHR-UHFFFAOYSA-N 1 1 332.407 3.939 20 30 EHEDMO CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1C ZINC000075614631 1138128707 /nfs/dbraw/zinc/12/87/07/1138128707.db2.gz OQPRFKVDDARNHR-UHFFFAOYSA-N 1 1 332.407 3.939 20 30 EHEDMO C=CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000886759703 1138133760 /nfs/dbraw/zinc/13/37/60/1138133760.db2.gz MXIZCJYZDBSDHK-QGZVFWFLSA-N 1 1 344.499 3.848 20 30 EHEDMO COc1ccc(C[N@H+]2CCS[C@H](C)[C@@H]2C)cc1OCCCC#N ZINC000093501527 1138237956 /nfs/dbraw/zinc/23/79/56/1138237956.db2.gz LUYICIAPUFFBBF-LSDHHAIUSA-N 1 1 334.485 3.704 20 30 EHEDMO C=CCC1(c2nc([C@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)CCCCC1 ZINC000333886461 1138343432 /nfs/dbraw/zinc/34/34/32/1138343432.db2.gz XRXTZESLVTWEEV-QAPCUYQASA-N 1 1 331.460 3.773 20 30 EHEDMO C=CCC1(c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)CCCCC1 ZINC000333886461 1138343436 /nfs/dbraw/zinc/34/34/36/1138343436.db2.gz XRXTZESLVTWEEV-QAPCUYQASA-N 1 1 331.460 3.773 20 30 EHEDMO N#CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000264095756 1138417447 /nfs/dbraw/zinc/41/74/47/1138417447.db2.gz GSDOOIJEEJGCAQ-LJQANCHMSA-N 1 1 342.826 3.816 20 30 EHEDMO N#CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000264095756 1138417450 /nfs/dbraw/zinc/41/74/50/1138417450.db2.gz GSDOOIJEEJGCAQ-LJQANCHMSA-N 1 1 342.826 3.816 20 30 EHEDMO C=CCN1CC[C@H]([N@H+](Cc2cccc(C(F)(F)F)c2)C(C)C)C1=O ZINC000337125451 1138472001 /nfs/dbraw/zinc/47/20/01/1138472001.db2.gz DZCCCPKOBBWZCW-INIZCTEOSA-N 1 1 340.389 3.703 20 30 EHEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)C[C@H]1OCCc2ccccc21 ZINC000337636708 1138628875 /nfs/dbraw/zinc/62/88/75/1138628875.db2.gz CGVBIWLDKXSYBG-OAQYLSRUSA-N 1 1 331.419 3.557 20 30 EHEDMO C[N@H+](Cc1cn2ccccc2c1C#N)C[C@H]1OCCc2ccccc21 ZINC000337636708 1138628876 /nfs/dbraw/zinc/62/88/76/1138628876.db2.gz CGVBIWLDKXSYBG-OAQYLSRUSA-N 1 1 331.419 3.557 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000338001050 1138720533 /nfs/dbraw/zinc/72/05/33/1138720533.db2.gz XQQRYOUYDVVEJL-UHFFFAOYSA-N 1 1 327.815 3.834 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000265102234 1138728680 /nfs/dbraw/zinc/72/86/80/1138728680.db2.gz XWQHPRJKCUSASR-AZUAARDMSA-N 1 1 341.499 3.675 20 30 EHEDMO CC(C)[N@H+]1CCC[C@@H](CNc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000265165754 1138752406 /nfs/dbraw/zinc/75/24/06/1138752406.db2.gz GBMUXDUSXXEZPB-LBPRGKRZSA-N 1 1 326.366 3.504 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000265544646 1138955586 /nfs/dbraw/zinc/95/55/86/1138955586.db2.gz RWWZVKQBMFTJTM-HNNXBMFYSA-N 1 1 332.407 3.583 20 30 EHEDMO C[N@@H+](CCCOC(=O)c1ccc(C2(C#N)CC2)cc1)Cc1ccccc1 ZINC000777331410 1139656198 /nfs/dbraw/zinc/65/61/98/1139656198.db2.gz WSQXDNPZSVXAGG-UHFFFAOYSA-N 1 1 348.446 3.921 20 30 EHEDMO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCc1ccncc1 ZINC000181491695 1139909786 /nfs/dbraw/zinc/90/97/86/1139909786.db2.gz DVEBYWSYKFOWLM-UHFFFAOYSA-N 1 1 334.341 3.506 20 30 EHEDMO C=CCNC(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000184944183 1140126885 /nfs/dbraw/zinc/12/68/85/1140126885.db2.gz WCGXAVNLDDZJDJ-NSHDSACASA-N 1 1 349.887 3.725 20 30 EHEDMO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000185226717 1140140669 /nfs/dbraw/zinc/14/06/69/1140140669.db2.gz RYJGHZFROANDTR-CQSZACIVSA-N 1 1 336.426 3.648 20 30 EHEDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187666663 1140266891 /nfs/dbraw/zinc/26/68/91/1140266891.db2.gz ZBIZIBPOPHXGDI-GJYPPUQNSA-N 1 1 327.472 3.636 20 30 EHEDMO C=C(C)[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(F)c(F)c1 ZINC000187768757 1140270711 /nfs/dbraw/zinc/27/07/11/1140270711.db2.gz MGKUIKYESDWODC-GOSISDBHSA-N 1 1 347.409 3.514 20 30 EHEDMO Cn1cc(CNCc2ccccc2C[NH+]2CCCCCC2)cc1C#N ZINC000191022749 1140431004 /nfs/dbraw/zinc/43/10/04/1140431004.db2.gz IWHOQEXPFSWNIC-UHFFFAOYSA-N 1 1 336.483 3.563 20 30 EHEDMO CC[C@@H](c1ccncc1)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192711548 1140545901 /nfs/dbraw/zinc/54/59/01/1140545901.db2.gz GURDKRDRPMFNQP-VQTJNVASSA-N 1 1 348.450 3.532 20 30 EHEDMO C=CCCCN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000267320317 1140778370 /nfs/dbraw/zinc/77/83/70/1140778370.db2.gz DIIRHBORGIDWEC-HKUYNNGSSA-N 1 1 329.488 3.505 20 30 EHEDMO C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H](c2ccsc2)O1 ZINC000268458707 1140942918 /nfs/dbraw/zinc/94/29/18/1140942918.db2.gz NTLICRNNSGVDRR-KBXCAEBGSA-N 1 1 328.437 3.612 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H](c2ccsc2)O1 ZINC000268458707 1140942922 /nfs/dbraw/zinc/94/29/22/1140942922.db2.gz NTLICRNNSGVDRR-KBXCAEBGSA-N 1 1 328.437 3.612 20 30 EHEDMO N#Cc1cnc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(Cl)c1 ZINC000339135927 1141506879 /nfs/dbraw/zinc/50/68/79/1141506879.db2.gz XVVBUWHKHXLURF-ZDUSSCGKSA-N 1 1 346.887 3.992 20 30 EHEDMO CC(C)[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000022134678 212279063 /nfs/dbraw/zinc/27/90/63/212279063.db2.gz LUXHJDBQOAKDKO-UHFFFAOYSA-N 1 1 327.453 3.859 20 30 EHEDMO CC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435060 609514589 /nfs/dbraw/zinc/51/45/89/609514589.db2.gz KQLHFHOZSGWTFT-HNNXBMFYSA-N 1 1 346.438 3.516 20 30 EHEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCCCC1(F)F ZINC001573340940 947524737 /nfs/dbraw/zinc/52/47/37/947524737.db2.gz DQYCEEXUGZTSNW-MRXNPFEDSA-N 1 1 347.413 3.680 20 30 EHEDMO Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000047964565 1014215084 /nfs/dbraw/zinc/21/50/84/1014215084.db2.gz SUAFJJOBVWSZCF-QGZVFWFLSA-N 1 1 327.472 3.673 20 30 EHEDMO COCC[N@@H+](CCO[C@@H]1CCCC[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000063753794 1014479238 /nfs/dbraw/zinc/47/92/38/1014479238.db2.gz WTJSKSLTPMESKC-FXAWDEMLSA-N 1 1 330.472 3.602 20 30 EHEDMO Cc1cc2[nH]c(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)cc2c(C)c1 ZINC000430180478 1014613929 /nfs/dbraw/zinc/61/39/29/1014613929.db2.gz SSSNUPNSGSYZEK-GOSISDBHSA-N 1 1 346.434 3.705 20 30 EHEDMO N#C[C@H](c1ccccc1)N1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000471146444 1014849855 /nfs/dbraw/zinc/84/98/55/1014849855.db2.gz AMTFBWIDWYORRO-OAQYLSRUSA-N 1 1 341.499 3.608 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cccc(NC(=O)C(C)C)c2)no1 ZINC000904539572 1032109139 /nfs/dbraw/zinc/10/91/39/1032109139.db2.gz NLNDHLNUJOXYJB-HNNXBMFYSA-N 1 1 328.416 3.687 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000274829604 1015449086 /nfs/dbraw/zinc/44/90/86/1015449086.db2.gz LZJMFPVJYXICHV-UHFFFAOYSA-N 1 1 332.488 3.595 20 30 EHEDMO C=CCCC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)OCC ZINC001209163399 1015878546 /nfs/dbraw/zinc/87/85/46/1015878546.db2.gz DNDYYTJARWKUFI-QGZVFWFLSA-N 1 1 347.455 3.522 20 30 EHEDMO C[N@H+](Cc1cccc(Cl)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083128137 1016073825 /nfs/dbraw/zinc/07/38/25/1016073825.db2.gz CTYLOKOQEHOGFK-OAHLLOKOSA-N 1 1 345.855 3.510 20 30 EHEDMO C[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083128137 1016073835 /nfs/dbraw/zinc/07/38/35/1016073835.db2.gz CTYLOKOQEHOGFK-OAHLLOKOSA-N 1 1 345.855 3.510 20 30 EHEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1Cl)C2 ZINC001204437776 1016099775 /nfs/dbraw/zinc/09/97/75/1016099775.db2.gz OKWDLLOBXQKYCB-SJLPKXTDSA-N 1 1 339.838 3.805 20 30 EHEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1Cl)C2 ZINC001204437776 1016099788 /nfs/dbraw/zinc/09/97/88/1016099788.db2.gz OKWDLLOBXQKYCB-SJLPKXTDSA-N 1 1 339.838 3.805 20 30 EHEDMO C=CCCCCCC[N@@H+]1CCC[C@H](Oc2ccc(C(N)=O)cc2)C1 ZINC001209438622 1016283834 /nfs/dbraw/zinc/28/38/34/1016283834.db2.gz PVGWXDQHZFYYDC-IBGZPJMESA-N 1 1 330.472 3.765 20 30 EHEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1CCCC1(C#N)CCOCC1 ZINC000375608979 1016613810 /nfs/dbraw/zinc/61/38/10/1016613810.db2.gz VHJSBLUBWOHNDP-HBFSDRIKSA-N 1 1 342.483 3.937 20 30 EHEDMO N#Cc1ccc2c(c1)CC[N@@H+](Cc1c(O)cccc1Br)C2 ZINC001140098897 1016727617 /nfs/dbraw/zinc/72/76/17/1016727617.db2.gz RHFNUMKXQXWIOP-UHFFFAOYSA-N 1 1 343.224 3.585 20 30 EHEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1c(O)cccc1Br)C2 ZINC001140098897 1016727629 /nfs/dbraw/zinc/72/76/29/1016727629.db2.gz RHFNUMKXQXWIOP-UHFFFAOYSA-N 1 1 343.224 3.585 20 30 EHEDMO C=C(C)[C@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccc(F)c(F)c1 ZINC000547820526 1016829475 /nfs/dbraw/zinc/82/94/75/1016829475.db2.gz KOZHQBSJVULPIO-SFHVURJKSA-N 1 1 344.409 3.762 20 30 EHEDMO N#CCOc1ccc(C[NH2+][C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000782994643 1017048928 /nfs/dbraw/zinc/04/89/28/1017048928.db2.gz OQHPQHKXMHTOCU-JOCHJYFZSA-N 1 1 349.478 3.906 20 30 EHEDMO C=C(C)C[C@@H](C)C(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000185526713 1032438236 /nfs/dbraw/zinc/43/82/36/1032438236.db2.gz OEIIYSQTSJGCOB-OAHLLOKOSA-N 1 1 349.544 3.636 20 30 EHEDMO COc1ccc(C#N)cc1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000528575603 1032455817 /nfs/dbraw/zinc/45/58/17/1032455817.db2.gz XPPSBGFUSAMPNE-UHFFFAOYSA-N 1 1 340.398 3.749 20 30 EHEDMO COCC[N@@H+](CCCc1ccccc1)Cc1cccc(C#N)c1F ZINC000537036941 1032496761 /nfs/dbraw/zinc/49/67/61/1032496761.db2.gz FQWRRENBUSMWQM-UHFFFAOYSA-N 1 1 326.415 3.779 20 30 EHEDMO CCOCCOCc1cccc(C[NH2+]Cc2cccc(F)c2C#N)c1 ZINC000602003158 1032589048 /nfs/dbraw/zinc/58/90/48/1032589048.db2.gz FRCXYLMIYGSKIA-UHFFFAOYSA-N 1 1 342.414 3.540 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)nc1 ZINC000593964051 1032628765 /nfs/dbraw/zinc/62/87/65/1032628765.db2.gz XVXZATBPJBYQMP-HNNXBMFYSA-N 1 1 338.480 3.668 20 30 EHEDMO C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000537401376 1032705600 /nfs/dbraw/zinc/70/56/00/1032705600.db2.gz ZBBBDWNEXGCUOC-MRXNPFEDSA-N 1 1 325.431 3.870 20 30 EHEDMO C[C@@H]([NH2+]CCCN(C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000537401376 1032705635 /nfs/dbraw/zinc/70/56/35/1032705635.db2.gz ZBBBDWNEXGCUOC-MRXNPFEDSA-N 1 1 325.431 3.870 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)OC)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000176964518 1017545154 /nfs/dbraw/zinc/54/51/54/1017545154.db2.gz RZZNIRDKEXNWGG-CYBMUJFWSA-N 1 1 328.437 3.989 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc(Cl)cc2C#N)C1 ZINC000610281913 1017625673 /nfs/dbraw/zinc/62/56/73/1017625673.db2.gz YPIYMWXUTUERFN-GOSISDBHSA-N 1 1 325.843 3.922 20 30 EHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)ccc1F ZINC000177509102 1017681491 /nfs/dbraw/zinc/68/14/91/1017681491.db2.gz IVOABWCVVUCRFZ-MRXNPFEDSA-N 1 1 337.398 3.548 20 30 EHEDMO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000377399460 1017746027 /nfs/dbraw/zinc/74/60/27/1017746027.db2.gz KXIGVAIZPUXPHP-UYAOXDASSA-N 1 1 348.437 3.798 20 30 EHEDMO C#CCCCCC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000377399460 1017746039 /nfs/dbraw/zinc/74/60/39/1017746039.db2.gz KXIGVAIZPUXPHP-UYAOXDASSA-N 1 1 348.437 3.798 20 30 EHEDMO COc1ccc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)cc1OCCCC#N ZINC000449542660 1032731486 /nfs/dbraw/zinc/73/14/86/1032731486.db2.gz QXTGJAHBIOPTJU-NQIIRXRSSA-N 1 1 340.467 3.998 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000377772388 1018356097 /nfs/dbraw/zinc/35/60/97/1018356097.db2.gz WSWLRJJNQGAIML-ZMSDIMECSA-N 1 1 343.496 3.894 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000377772388 1018356110 /nfs/dbraw/zinc/35/61/10/1018356110.db2.gz WSWLRJJNQGAIML-ZMSDIMECSA-N 1 1 343.496 3.894 20 30 EHEDMO C[C@H](C[NH+]1CCN(c2cnccc2C#N)CC1)c1cccc(Cl)c1 ZINC000580146913 1018708279 /nfs/dbraw/zinc/70/82/79/1018708279.db2.gz AUYYMVBRADUEHG-OAHLLOKOSA-N 1 1 340.858 3.532 20 30 EHEDMO CC(C)Cc1ncc(C[N@H+](C)CCOCc2ccc(C#N)cc2)s1 ZINC000580245491 1018852704 /nfs/dbraw/zinc/85/27/04/1018852704.db2.gz QXZNCPOTKLZRNV-UHFFFAOYSA-N 1 1 343.496 3.862 20 30 EHEDMO CC(C)Cc1ncc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)s1 ZINC000580245491 1018852731 /nfs/dbraw/zinc/85/27/31/1018852731.db2.gz QXZNCPOTKLZRNV-UHFFFAOYSA-N 1 1 343.496 3.862 20 30 EHEDMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1F ZINC000594019204 1032790391 /nfs/dbraw/zinc/79/03/91/1032790391.db2.gz FAEYOGIBBUYSKS-SJKOYZFVSA-N 1 1 343.402 3.975 20 30 EHEDMO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3cc(C)c(C)o3)C2)CC1 ZINC001204530152 1018896677 /nfs/dbraw/zinc/89/66/77/1018896677.db2.gz ASLMXEUCSSKPGW-UHFFFAOYSA-N 1 1 346.471 3.897 20 30 EHEDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCc2ccccc21 ZINC000073715006 1018964477 /nfs/dbraw/zinc/96/44/77/1018964477.db2.gz JHIOJMUBFGYWQZ-GOSISDBHSA-N 1 1 339.826 3.769 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000614400972 1018986220 /nfs/dbraw/zinc/98/62/20/1018986220.db2.gz ULAZWJGGGNWDMH-NRFANRHFSA-N 1 1 348.425 3.961 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000614400972 1018986227 /nfs/dbraw/zinc/98/62/27/1018986227.db2.gz ULAZWJGGGNWDMH-NRFANRHFSA-N 1 1 348.425 3.961 20 30 EHEDMO C[C@@H]1C[C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000398190453 1018989801 /nfs/dbraw/zinc/98/98/01/1018989801.db2.gz ZDRIRECHRYNPSX-RDTXWAMCSA-N 1 1 336.395 3.541 20 30 EHEDMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cc(C#N)cs2)c1 ZINC000120638440 1019109632 /nfs/dbraw/zinc/10/96/32/1019109632.db2.gz MXZDIIBIXOYKKW-QGZVFWFLSA-N 1 1 328.437 3.974 20 30 EHEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cc(C#N)cs2)c1 ZINC000120638440 1019109635 /nfs/dbraw/zinc/10/96/35/1019109635.db2.gz MXZDIIBIXOYKKW-QGZVFWFLSA-N 1 1 328.437 3.974 20 30 EHEDMO C=CCn1c(SCC[C@H]2CCC[N@@H+]2C)nnc1-c1ccc(F)cc1 ZINC000125001841 1019134301 /nfs/dbraw/zinc/13/43/01/1019134301.db2.gz MVFRFJBGGHRAGL-MRXNPFEDSA-N 1 1 346.475 3.847 20 30 EHEDMO CCn1ccnc1[C@H](C)[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000449563229 1032814646 /nfs/dbraw/zinc/81/46/46/1032814646.db2.gz SVMILZAHWGCHOG-INIZCTEOSA-N 1 1 348.454 3.531 20 30 EHEDMO CCCCCCCCCC[N@H+]1C[C@H]2C[C@@]2(C(=O)N(C)CCOC)C1 ZINC001279869657 1019586867 /nfs/dbraw/zinc/58/68/67/1019586867.db2.gz LJNXZSZFZPNWKZ-UYAOXDASSA-N 1 1 338.536 3.554 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCC(F)(F)F)nc1 ZINC000119193418 1019637153 /nfs/dbraw/zinc/63/71/53/1019637153.db2.gz URLPOHKIXXWXLB-UHFFFAOYSA-N 1 1 335.329 3.526 20 30 EHEDMO N#Cc1cnc2c(F)cc(F)cc2c1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433804582 1019649781 /nfs/dbraw/zinc/64/97/81/1019649781.db2.gz IAWSRVUSSPNMHC-OAHLLOKOSA-N 1 1 342.393 3.813 20 30 EHEDMO C=CCOc1ccc(C[N@H+](C)CCc2ccccc2OC)cc1OC ZINC000513454936 1019688873 /nfs/dbraw/zinc/68/88/73/1019688873.db2.gz IYBFBUXRNOOULP-UHFFFAOYSA-N 1 1 341.451 3.943 20 30 EHEDMO C=CCc1cc(C[N@@H+](CCC)C[C@@H]2CCCCO2)cc(OC)c1O ZINC000513446631 1019693756 /nfs/dbraw/zinc/69/37/56/1019693756.db2.gz HCMMMVFDCNRUIT-SFHVURJKSA-N 1 1 333.472 3.910 20 30 EHEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1O ZINC000580659016 1019806990 /nfs/dbraw/zinc/80/69/90/1019806990.db2.gz KHVMOZSHZJHDJU-GDBMZVCRSA-N 1 1 340.389 3.806 20 30 EHEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cc(C)c(F)c(C)c1)CC2 ZINC001143380874 1019863444 /nfs/dbraw/zinc/86/34/44/1019863444.db2.gz YVQKOOBAEKEQPG-OAQYLSRUSA-N 1 1 344.474 3.976 20 30 EHEDMO Cc1nn(C)c(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1Cl ZINC000897589272 1032858506 /nfs/dbraw/zinc/85/85/06/1032858506.db2.gz VMZGIPRUWFFVBN-UHFFFAOYSA-N 1 1 328.847 3.633 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000513673016 1019924278 /nfs/dbraw/zinc/92/42/78/1019924278.db2.gz NUOQQTBFHRZNAV-UTKZUKDTSA-N 1 1 349.478 3.985 20 30 EHEDMO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1cc(Cl)ccc1Cl ZINC000345114502 1019957800 /nfs/dbraw/zinc/95/78/00/1019957800.db2.gz RIYYMGWVWQECDA-MNOVXSKESA-N 1 1 340.254 3.595 20 30 EHEDMO CC[N@@H+](Cc1ccc2oc(=O)n(C)c2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000602443755 1032892296 /nfs/dbraw/zinc/89/22/96/1032892296.db2.gz LCKWLYKHKZCANS-CQSZACIVSA-N 1 1 335.407 3.586 20 30 EHEDMO CCC[N@@H+](CCOc1cccc(C#N)c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001167443676 1020373840 /nfs/dbraw/zinc/37/38/40/1020373840.db2.gz ZMDHKYHEHRIUAM-RTBURBONSA-N 1 1 330.472 3.853 20 30 EHEDMO Cc1cc(C#N)ccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000581040016 1020374800 /nfs/dbraw/zinc/37/48/00/1020374800.db2.gz MFZIBOVGLOWEGT-HXUWFJFHSA-N 1 1 336.435 3.537 20 30 EHEDMO C=CCOCC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000679576828 1020496981 /nfs/dbraw/zinc/49/69/81/1020496981.db2.gz VYXNJBLEXGGTIV-INIZCTEOSA-N 1 1 336.229 3.924 20 30 EHEDMO C#CCCCC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000760374615 1032907080 /nfs/dbraw/zinc/90/70/80/1032907080.db2.gz WUEUEDRDQFHKBH-UHFFFAOYSA-N 1 1 338.495 3.837 20 30 EHEDMO CC[N@@H+](Cc1ccc2ccccc2c1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345813256 1020539692 /nfs/dbraw/zinc/53/96/92/1020539692.db2.gz PBIHAUVKWZBWJH-INIZCTEOSA-N 1 1 335.451 3.613 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000602487034 1032917132 /nfs/dbraw/zinc/91/71/32/1032917132.db2.gz SGOSZWWMOLKMGO-NVXWUHKLSA-N 1 1 339.439 3.567 20 30 EHEDMO Cc1oc(NC(=O)C[N@@H+]2CCCCC[C@H]2CC(C)C)c(C#N)c1C ZINC001167453915 1020658806 /nfs/dbraw/zinc/65/88/06/1020658806.db2.gz OUGKGHGSRXUYAR-INIZCTEOSA-N 1 1 331.460 3.997 20 30 EHEDMO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc(C#N)n1 ZINC000308275275 1021069131 /nfs/dbraw/zinc/06/91/31/1021069131.db2.gz DYOJWBFNZHMVMU-VCSGRIEYSA-N 1 1 332.451 3.869 20 30 EHEDMO CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544249 1032953320 /nfs/dbraw/zinc/95/33/20/1032953320.db2.gz GQODPIHHVZCBIZ-QZTJIDSGSA-N 1 1 335.536 3.576 20 30 EHEDMO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602545932 1032956370 /nfs/dbraw/zinc/95/63/70/1032956370.db2.gz RTJRIBNDPKRWFX-IAGOWNOFSA-N 1 1 346.494 3.558 20 30 EHEDMO C[C@H](CCC#N)C[NH2+]Cc1ccccc1CN(C)Cc1ccco1 ZINC000602552119 1032967500 /nfs/dbraw/zinc/96/75/00/1032967500.db2.gz SQVRSFJCFXKYMU-QGZVFWFLSA-N 1 1 325.456 3.941 20 30 EHEDMO C=CCC[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccco1 ZINC000353684304 1021291560 /nfs/dbraw/zinc/29/15/60/1021291560.db2.gz RNWMMLLKFVYBSK-ZDUSSCGKSA-N 1 1 325.455 3.542 20 30 EHEDMO COCC[N@H+](CCCOc1ccc(F)cc1)Cc1ccccc1C#N ZINC000518626170 1021379714 /nfs/dbraw/zinc/37/97/14/1021379714.db2.gz KVXYGFWBIBCNPM-UHFFFAOYSA-N 1 1 342.414 3.615 20 30 EHEDMO COCC[N@@H+](CCCOc1ccc(F)cc1)Cc1ccccc1C#N ZINC000518626170 1021379732 /nfs/dbraw/zinc/37/97/32/1021379732.db2.gz KVXYGFWBIBCNPM-UHFFFAOYSA-N 1 1 342.414 3.615 20 30 EHEDMO N#Cc1cc(C[NH+]2CCC([C@@H](O)c3cc(F)ccc3F)CC2)cs1 ZINC000894849573 1021382207 /nfs/dbraw/zinc/38/22/07/1021382207.db2.gz QHAOFAJPJAJLGK-GOSISDBHSA-N 1 1 348.418 3.844 20 30 EHEDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439448166 1021451762 /nfs/dbraw/zinc/45/17/62/1021451762.db2.gz SIJYWVQTBLBOII-YOEHRIQHSA-N 1 1 347.890 3.728 20 30 EHEDMO N#Cc1cccc(OCC[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000507717468 1021456160 /nfs/dbraw/zinc/45/61/60/1021456160.db2.gz JRPATLIGRCZRDX-OAQYLSRUSA-N 1 1 336.435 3.618 20 30 EHEDMO C=C(CC)C[NH2+]Cc1c(Br)cncc1Br ZINC000313493742 1021491744 /nfs/dbraw/zinc/49/17/44/1021491744.db2.gz GITZGHQAXFSOPA-UHFFFAOYSA-N 1 1 334.055 3.662 20 30 EHEDMO C=C(C)C[N@H+](CC)Cc1ccc(Br)cc1NC(C)=O ZINC000891457759 1021685313 /nfs/dbraw/zinc/68/53/13/1021685313.db2.gz YHBWDRRDNNZCAX-UHFFFAOYSA-N 1 1 325.250 3.806 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000664623563 1021731785 /nfs/dbraw/zinc/73/17/85/1021731785.db2.gz BTBDCXKNAMNBLH-PBWTXFEYSA-N 1 1 331.504 3.532 20 30 EHEDMO CCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 ZINC000519906904 1021759529 /nfs/dbraw/zinc/75/95/29/1021759529.db2.gz AHWOQZZXKPFGJQ-OAQYLSRUSA-N 1 1 347.462 3.574 20 30 EHEDMO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccc(C(C)C)cc2)c(C#N)c1C ZINC000140543670 1033006712 /nfs/dbraw/zinc/00/67/12/1033006712.db2.gz MSARJRKVGCCJFP-UHFFFAOYSA-N 1 1 339.439 3.962 20 30 EHEDMO Cc1oc(NC(=O)C[N@H+](C)Cc2ccc(C(C)C)cc2)c(C#N)c1C ZINC000140543670 1033006724 /nfs/dbraw/zinc/00/67/24/1033006724.db2.gz MSARJRKVGCCJFP-UHFFFAOYSA-N 1 1 339.439 3.962 20 30 EHEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCCC#N)[C@@H]2CCCC[C@@H]12 ZINC000439981413 1021874811 /nfs/dbraw/zinc/87/48/11/1021874811.db2.gz HKZSLKRPQFUEPN-LTFXXXRZSA-N 1 1 333.520 3.864 20 30 EHEDMO C=CCc1cc(C[N@H+](C)Cc2cc(C#N)cs2)cc(OC)c1O ZINC000897625123 1033015834 /nfs/dbraw/zinc/01/58/34/1033015834.db2.gz DWGGGRSCMDXGSG-UHFFFAOYSA-N 1 1 328.437 3.694 20 30 EHEDMO C=CCc1cc(C[N@@H+](C)Cc2cc(C#N)cs2)cc(OC)c1O ZINC000897625123 1033015846 /nfs/dbraw/zinc/01/58/46/1033015846.db2.gz DWGGGRSCMDXGSG-UHFFFAOYSA-N 1 1 328.437 3.694 20 30 EHEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000437572641 1021960631 /nfs/dbraw/zinc/96/06/31/1021960631.db2.gz WPRZWZNVEBWQIO-FQEVSTJZSA-N 1 1 335.451 3.668 20 30 EHEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000506787680 1022007094 /nfs/dbraw/zinc/00/70/94/1022007094.db2.gz ISAUNYPVSAQCSG-UHFFFAOYSA-N 1 1 327.424 3.901 20 30 EHEDMO C=CCOc1ccccc1C[N@H+](C)Cc1ccc(OC)cc1OC ZINC000506787680 1022007103 /nfs/dbraw/zinc/00/71/03/1022007103.db2.gz ISAUNYPVSAQCSG-UHFFFAOYSA-N 1 1 327.424 3.901 20 30 EHEDMO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000897628802 1033024387 /nfs/dbraw/zinc/02/43/87/1033024387.db2.gz MIVVJXCPSVHUBZ-ZDUSSCGKSA-N 1 1 342.468 3.645 20 30 EHEDMO C=CCOc1ccccc1C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000520424604 1022230202 /nfs/dbraw/zinc/23/02/02/1022230202.db2.gz TUAUBYVEMGYZDR-KSZLIROESA-N 1 1 342.483 3.729 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccccc2)c1C ZINC000051123670 1022415865 /nfs/dbraw/zinc/41/58/65/1022415865.db2.gz QEUCONBKDPQXJW-UHFFFAOYSA-N 1 1 335.451 3.682 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccccc2)c1C ZINC000051123670 1022415874 /nfs/dbraw/zinc/41/58/74/1022415874.db2.gz QEUCONBKDPQXJW-UHFFFAOYSA-N 1 1 335.451 3.682 20 30 EHEDMO N#C[C@@H]1CC[C@H]([N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)C1 ZINC000328804570 1022491750 /nfs/dbraw/zinc/49/17/50/1022491750.db2.gz CUHDGIUBZRCUSK-LAVAIGHBSA-N 1 1 348.450 3.782 20 30 EHEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc(Cl)c(N)c2Cl)C1 ZINC000330440864 1022591385 /nfs/dbraw/zinc/59/13/85/1022591385.db2.gz DEYYLKYFKUYKMZ-SNVBAGLBSA-N 1 1 330.259 3.612 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000602664328 1033062328 /nfs/dbraw/zinc/06/23/28/1033062328.db2.gz URFMKYITHCDRDT-DOTOQJQBSA-N 1 1 329.492 3.972 20 30 EHEDMO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000602664328 1033062338 /nfs/dbraw/zinc/06/23/38/1033062338.db2.gz URFMKYITHCDRDT-DOTOQJQBSA-N 1 1 329.492 3.972 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000602664328 1033062351 /nfs/dbraw/zinc/06/23/51/1033062351.db2.gz URFMKYITHCDRDT-DOTOQJQBSA-N 1 1 329.492 3.972 20 30 EHEDMO N#CC1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCCCC1 ZINC000517783852 1022678064 /nfs/dbraw/zinc/67/80/64/1022678064.db2.gz TWFSDUBZBFEMLL-UHFFFAOYSA-N 1 1 331.504 3.575 20 30 EHEDMO CC(C)[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1cccc(F)c1 ZINC000517859204 1022764157 /nfs/dbraw/zinc/76/41/57/1022764157.db2.gz LJTUYRMMRUFMQX-UHFFFAOYSA-N 1 1 345.462 3.721 20 30 EHEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000510633327 1022798338 /nfs/dbraw/zinc/79/83/38/1022798338.db2.gz JZKKIOONTOQPPL-FGZHOGPDSA-N 1 1 348.446 3.891 20 30 EHEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000510633327 1022798349 /nfs/dbraw/zinc/79/83/49/1022798349.db2.gz JZKKIOONTOQPPL-FGZHOGPDSA-N 1 1 348.446 3.891 20 30 EHEDMO N#Cc1csc(C[N@H+](CCc2ccccn2)Cc2cccnc2)c1 ZINC000430871904 1022811765 /nfs/dbraw/zinc/81/17/65/1022811765.db2.gz YIWYKTCWHFBBFN-UHFFFAOYSA-N 1 1 334.448 3.655 20 30 EHEDMO N#Cc1csc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)c1 ZINC000430871904 1022811782 /nfs/dbraw/zinc/81/17/82/1022811782.db2.gz YIWYKTCWHFBBFN-UHFFFAOYSA-N 1 1 334.448 3.655 20 30 EHEDMO N#Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c(Cl)c1 ZINC000426162104 1023021012 /nfs/dbraw/zinc/02/10/12/1023021012.db2.gz OXGFIDTZBBIUTK-HNNXBMFYSA-N 1 1 346.862 3.598 20 30 EHEDMO C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000471916077 1023159799 /nfs/dbraw/zinc/15/97/99/1023159799.db2.gz WPPSBFDHLRPPKY-IBGZPJMESA-N 1 1 341.499 3.791 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+]2CCC[C@@](CC)(CO)C2)ccc1OC ZINC000190213376 1023179790 /nfs/dbraw/zinc/17/97/90/1023179790.db2.gz OCLXHJPDFGGFMC-HXUWFJFHSA-N 1 1 333.472 3.635 20 30 EHEDMO Cc1nn2c(C[N@H+](C)Cc3cccc(C#N)c3)c(C(C)C)nc2s1 ZINC000507231183 1023195449 /nfs/dbraw/zinc/19/54/49/1023195449.db2.gz QBXPCCQUPFSTLP-UHFFFAOYSA-N 1 1 339.468 3.726 20 30 EHEDMO Cc1nn2c(C[N@@H+](C)Cc3cccc(C#N)c3)c(C(C)C)nc2s1 ZINC000507231183 1023195453 /nfs/dbraw/zinc/19/54/53/1023195453.db2.gz QBXPCCQUPFSTLP-UHFFFAOYSA-N 1 1 339.468 3.726 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](CC)Cc1c[nH]c2ccccc12 ZINC000190494130 1023196698 /nfs/dbraw/zinc/19/66/98/1023196698.db2.gz RAOUGPXMOIXCEZ-MRXNPFEDSA-N 1 1 325.456 3.579 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426252182 1023198273 /nfs/dbraw/zinc/19/82/73/1023198273.db2.gz MRXYPEPWFYXFDD-YSIASYRMSA-N 1 1 341.499 3.647 20 30 EHEDMO N#Cc1ccccc1N1CC[NH+](CCSc2ccccc2F)CC1 ZINC000507275059 1023225940 /nfs/dbraw/zinc/22/59/40/1023225940.db2.gz AXEDRXCNROIITK-UHFFFAOYSA-N 1 1 341.455 3.612 20 30 EHEDMO C[C@H](CCC#N)C[N@@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602730179 1033119590 /nfs/dbraw/zinc/11/95/90/1033119590.db2.gz YYLOLJSHMJUHGO-IUODEOHRSA-N 1 1 345.270 3.605 20 30 EHEDMO CCC[N@@H+](C)[C@@H](CNC(=O)CCCCC#N)c1ccc(Cl)cc1 ZINC000594025897 1033138414 /nfs/dbraw/zinc/13/84/14/1033138414.db2.gz AQSCHEWMKSKXSC-KRWDZBQOSA-N 1 1 335.879 3.923 20 30 EHEDMO C[N@H+]1CCC[C@H](CCNC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000458180003 1023618350 /nfs/dbraw/zinc/61/83/50/1023618350.db2.gz YDEKSBKDMAZWDO-QGZVFWFLSA-N 1 1 347.462 3.687 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(OCCOC)c1 ZINC000535789718 1023635706 /nfs/dbraw/zinc/63/57/06/1023635706.db2.gz HTCRVUHGMFUDPY-UHFFFAOYSA-N 1 1 338.451 3.996 20 30 EHEDMO C=CC[C@H](C)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000342081157 1023887343 /nfs/dbraw/zinc/88/73/43/1023887343.db2.gz YYYNLMGQCPCOEV-IRXDYDNUSA-N 1 1 329.488 3.682 20 30 EHEDMO C=C(C)C[N@H+](C)CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000181304600 1023897201 /nfs/dbraw/zinc/89/72/01/1023897201.db2.gz HUBSVZORLSCVKA-IBGZPJMESA-N 1 1 330.472 3.647 20 30 EHEDMO C=CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434355779 1023971907 /nfs/dbraw/zinc/97/19/07/1023971907.db2.gz QHKBJPJDFKBGIK-GOSISDBHSA-N 1 1 345.462 3.540 20 30 EHEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccnc(C#N)c1 ZINC000610992112 1023975037 /nfs/dbraw/zinc/97/50/37/1023975037.db2.gz AVFCWQUJPNBPIN-UHFFFAOYSA-N 1 1 349.413 3.547 20 30 EHEDMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1F ZINC000121098606 1024012620 /nfs/dbraw/zinc/01/26/20/1024012620.db2.gz ZYRKWDGZDJODKB-HNNXBMFYSA-N 1 1 340.398 3.509 20 30 EHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CC(=O)NC2CCCCC2)C1 ZINC000329788973 1024195417 /nfs/dbraw/zinc/19/54/17/1024195417.db2.gz BRJOFIKQZQKTKE-LULLPPNCSA-N 1 1 336.520 3.927 20 30 EHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@H]1CC[C@@H](SCC)C1 ZINC000441616388 1024208032 /nfs/dbraw/zinc/20/80/32/1024208032.db2.gz UCDWUNWYFHKBPX-IPMKNSEASA-N 1 1 349.540 3.761 20 30 EHEDMO C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000439314437 1024238038 /nfs/dbraw/zinc/23/80/38/1024238038.db2.gz JVIZQXAIYIXIFM-VQIMIIECSA-N 1 1 333.435 3.765 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@@H+](Cc2ccco2)C2CCCC2)c1 ZINC000434661315 1024268220 /nfs/dbraw/zinc/26/82/20/1024268220.db2.gz HWFJTBHOUZYOPC-UHFFFAOYSA-N 1 1 337.423 3.925 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000425127771 1024276403 /nfs/dbraw/zinc/27/64/03/1024276403.db2.gz JJMNQZQQAUEIFD-APWZRJJASA-N 1 1 339.483 3.732 20 30 EHEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@](C)(C#N)C2)c1 ZINC000598415263 1033202041 /nfs/dbraw/zinc/20/20/41/1033202041.db2.gz KTCROUJSZLAWSR-JOCHJYFZSA-N 1 1 347.462 3.694 20 30 EHEDMO O=C(N[C@@H]1CCCC[C@H]1O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000330165990 1024341084 /nfs/dbraw/zinc/34/10/84/1024341084.db2.gz XOFIFCKBZCJDCL-KBAYOESNSA-N 1 1 345.487 3.753 20 30 EHEDMO CC(C)[C@@H]1[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC12CCC2 ZINC000430100722 1024365428 /nfs/dbraw/zinc/36/54/28/1024365428.db2.gz VVLMCEOMEMYSSV-FQEVSTJZSA-N 1 1 334.467 3.969 20 30 EHEDMO Cc1ccc([C@]2(C)CC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)cc1 ZINC000434734394 1024400935 /nfs/dbraw/zinc/40/09/35/1024400935.db2.gz FPTSRWYPSDXGOP-JOCHJYFZSA-N 1 1 347.462 3.859 20 30 EHEDMO CCC1CCC(CNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000330292202 1024435123 /nfs/dbraw/zinc/43/51/23/1024435123.db2.gz HBRWVLMQEMOFKB-UHFFFAOYSA-N 1 1 343.475 3.744 20 30 EHEDMO COC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC001141814870 1024580465 /nfs/dbraw/zinc/58/04/65/1024580465.db2.gz SZQBWNBKWCQXKN-OAHLLOKOSA-N 1 1 337.261 3.710 20 30 EHEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC001141814870 1024580476 /nfs/dbraw/zinc/58/04/76/1024580476.db2.gz SZQBWNBKWCQXKN-OAHLLOKOSA-N 1 1 337.261 3.710 20 30 EHEDMO Cc1ccc(C)c([C@H]2CCC[N@H+]2CC(=O)NCc2ccc(C#N)cc2)c1 ZINC000474225760 1024597782 /nfs/dbraw/zinc/59/77/82/1024597782.db2.gz ICHNXCVUKFMHHW-OAQYLSRUSA-N 1 1 347.462 3.628 20 30 EHEDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000065534932 1024667406 /nfs/dbraw/zinc/66/74/06/1024667406.db2.gz JKLADNHFXQYSBF-OAHLLOKOSA-N 1 1 339.395 3.928 20 30 EHEDMO OC[C@@H]1c2ccccc2CC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000474275646 1024677472 /nfs/dbraw/zinc/67/74/72/1024677472.db2.gz VLLBMLQILCFYJY-LJQANCHMSA-N 1 1 345.364 3.649 20 30 EHEDMO OC[C@@H]1c2ccccc2CC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000474275646 1024677479 /nfs/dbraw/zinc/67/74/79/1024677479.db2.gz VLLBMLQILCFYJY-LJQANCHMSA-N 1 1 345.364 3.649 20 30 EHEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1ccccc1)CC(C)(C)C ZINC000507846136 1024718254 /nfs/dbraw/zinc/71/82/54/1024718254.db2.gz FTVNEARYOFDIKI-KRWDZBQOSA-N 1 1 329.488 3.543 20 30 EHEDMO N#CCc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000398984892 1024745490 /nfs/dbraw/zinc/74/54/90/1024745490.db2.gz GMEYDMVDMWDAFX-DNVJHFABSA-N 1 1 345.490 3.753 20 30 EHEDMO C=C(C)C[N@H+](CC)CC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000114712343 1024747725 /nfs/dbraw/zinc/74/77/25/1024747725.db2.gz DSGKHIODKCJYHP-LJQANCHMSA-N 1 1 330.472 3.647 20 30 EHEDMO C=CCCCS(=O)(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000427780533 1024790966 /nfs/dbraw/zinc/79/09/66/1024790966.db2.gz HDFZIXDOVFBUTH-MRXNPFEDSA-N 1 1 336.501 3.626 20 30 EHEDMO C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000346495173 1024806219 /nfs/dbraw/zinc/80/62/19/1024806219.db2.gz XFOKNXVNBHOJLY-SJORKVTESA-N 1 1 348.450 3.685 20 30 EHEDMO C=CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000346540702 1024847188 /nfs/dbraw/zinc/84/71/88/1024847188.db2.gz HSFIDPFDCXINCU-GOSISDBHSA-N 1 1 334.463 3.648 20 30 EHEDMO CC(C)n1cncc1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000425390874 1024974624 /nfs/dbraw/zinc/97/46/24/1024974624.db2.gz ZCGPPZASWPZDDE-UHFFFAOYSA-N 1 1 342.418 3.518 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1cccc(F)c1C#N ZINC000428229119 1025066009 /nfs/dbraw/zinc/06/60/09/1025066009.db2.gz MJIFIDFDXADWCV-QGZVFWFLSA-N 1 1 337.442 3.794 20 30 EHEDMO CCC[N@@H+](CC(=O)N[C@@H](C)c1cccs1)Cc1ccc(C#N)cc1 ZINC000515246320 1025108690 /nfs/dbraw/zinc/10/86/90/1025108690.db2.gz XRDCBXVGLIWQRA-HNNXBMFYSA-N 1 1 341.480 3.709 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000896226312 1025260818 /nfs/dbraw/zinc/26/08/18/1025260818.db2.gz CYKCACNSKFQJRC-DOMZBBRYSA-N 1 1 342.336 3.844 20 30 EHEDMO CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccc(C)cc1 ZINC000521221825 1025279256 /nfs/dbraw/zinc/27/92/56/1025279256.db2.gz YOMMNBLQIFFHBY-UHFFFAOYSA-N 1 1 327.472 3.502 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000438987321 1025363916 /nfs/dbraw/zinc/36/39/16/1025363916.db2.gz TYHUWBBOHDTXKJ-IBGZPJMESA-N 1 1 339.483 3.641 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccccc2NCc2ccc(CC#N)cc2)C[C@H](C)O1 ZINC000342428777 1025391254 /nfs/dbraw/zinc/39/12/54/1025391254.db2.gz BAUYTPLYUAGGBR-HDICACEKSA-N 1 1 349.478 3.974 20 30 EHEDMO N#CCCCOc1cccc(C[N@@H+]2CCS[C@@H](C(F)(F)F)C2)c1 ZINC000896456494 1025467464 /nfs/dbraw/zinc/46/74/64/1025467464.db2.gz VGQKAPOWKIZTND-OAHLLOKOSA-N 1 1 344.402 3.849 20 30 EHEDMO N#CCCCOc1cccc(C[N@H+]2CCS[C@@H](C(F)(F)F)C2)c1 ZINC000896456494 1025467467 /nfs/dbraw/zinc/46/74/67/1025467467.db2.gz VGQKAPOWKIZTND-OAHLLOKOSA-N 1 1 344.402 3.849 20 30 EHEDMO CC[N@H+](Cc1ccc(C#N)c(OC)c1)Cc1ccc(OC)c(OC)c1 ZINC000442794494 1025488833 /nfs/dbraw/zinc/48/88/33/1025488833.db2.gz CVKGPTUKXTTZMU-UHFFFAOYSA-N 1 1 340.423 3.606 20 30 EHEDMO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000896497054 1025502182 /nfs/dbraw/zinc/50/21/82/1025502182.db2.gz JYZOPBAWBVEEEN-PGRDOPGGSA-N 1 1 346.474 3.793 20 30 EHEDMO COc1cc(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)ccc1C#N ZINC000281834394 1025579300 /nfs/dbraw/zinc/57/93/00/1025579300.db2.gz XZJNFVYAEWPVQX-GFCCVEGCSA-N 1 1 344.386 3.574 20 30 EHEDMO C[N@H+](CCCC1(C#N)CCOCC1)Cc1nc(C(F)(F)F)cs1 ZINC000281893553 1025644712 /nfs/dbraw/zinc/64/47/12/1025644712.db2.gz DZMSHGWMMQLQLH-UHFFFAOYSA-N 1 1 347.406 3.694 20 30 EHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1nc(C(F)(F)F)cs1 ZINC000281893553 1025644717 /nfs/dbraw/zinc/64/47/17/1025644717.db2.gz DZMSHGWMMQLQLH-UHFFFAOYSA-N 1 1 347.406 3.694 20 30 EHEDMO Cc1nsc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1C#N ZINC000342214782 1025689925 /nfs/dbraw/zinc/68/99/25/1025689925.db2.gz YMHYLIJEAGCVGZ-ALOPSCKCSA-N 1 1 338.480 3.931 20 30 EHEDMO C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000329252411 1025698981 /nfs/dbraw/zinc/69/89/81/1025698981.db2.gz VLDIXWISQREJNN-BMGDILEWSA-N 1 1 343.471 3.576 20 30 EHEDMO C[C@@H](C#N)N(CC[C@H]1CCC[N@H+]1C)Cc1cccc(C(F)(F)F)c1 ZINC000425543030 1025699750 /nfs/dbraw/zinc/69/97/50/1025699750.db2.gz YYWFQRFORYYLBK-WMLDXEAASA-N 1 1 339.405 3.904 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)cc1 ZINC000505814054 1025702090 /nfs/dbraw/zinc/70/20/90/1025702090.db2.gz UYLBNFPYARKOOP-YPNIWSFNSA-N 1 1 331.419 3.675 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)cc1 ZINC000505814054 1025702101 /nfs/dbraw/zinc/70/21/01/1025702101.db2.gz UYLBNFPYARKOOP-YPNIWSFNSA-N 1 1 331.419 3.675 20 30 EHEDMO O=C(C[NH+]1CCC(c2cc[nH]n2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000329262403 1025705716 /nfs/dbraw/zinc/70/57/16/1025705716.db2.gz BFEKXDSHMVQYRN-UHFFFAOYSA-N 1 1 342.487 3.514 20 30 EHEDMO C[N@H+](CC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000505829805 1025737500 /nfs/dbraw/zinc/73/75/00/1025737500.db2.gz AVLXUODJLJYGSI-FQEVSTJZSA-N 1 1 349.478 3.797 20 30 EHEDMO C[N@@H+](CC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000505829805 1025737523 /nfs/dbraw/zinc/73/75/23/1025737523.db2.gz AVLXUODJLJYGSI-FQEVSTJZSA-N 1 1 349.478 3.797 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000444134246 1025739980 /nfs/dbraw/zinc/73/99/80/1025739980.db2.gz BGIWTLUTTCXZGZ-HXUWFJFHSA-N 1 1 347.462 3.842 20 30 EHEDMO COc1cc(C#N)ccc1CN(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000347256223 1025765868 /nfs/dbraw/zinc/76/58/68/1025765868.db2.gz KLQFIRCCCMAATD-NRFANRHFSA-N 1 1 349.478 3.663 20 30 EHEDMO C=C(C)COc1cc(C[NH2+]Cc2c(O)cccc2F)ccc1OC ZINC000896641841 1025796467 /nfs/dbraw/zinc/79/64/67/1025796467.db2.gz TZPCYEZXHNPIJG-UHFFFAOYSA-N 1 1 331.387 3.785 20 30 EHEDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000444157938 1025806343 /nfs/dbraw/zinc/80/63/43/1025806343.db2.gz HHIGJVNSWYFRGO-NRFANRHFSA-N 1 1 347.462 3.902 20 30 EHEDMO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3cccc4cc[nH]c43)C2)nc1 ZINC000896654107 1025811286 /nfs/dbraw/zinc/81/12/86/1025811286.db2.gz JUUJLAAQPBYKCV-SFHVURJKSA-N 1 1 331.423 3.511 20 30 EHEDMO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3cncc4ccccc43)C2)nc1 ZINC000896654457 1025812871 /nfs/dbraw/zinc/81/28/71/1025812871.db2.gz LLMSHOUTUVAKGQ-LJQANCHMSA-N 1 1 343.434 3.578 20 30 EHEDMO O=C(N[C@@H]1CCCOC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329434868 1025845019 /nfs/dbraw/zinc/84/50/19/1025845019.db2.gz JIOAYEVWSICGGK-HZPDHXFCSA-N 1 1 331.460 3.629 20 30 EHEDMO C[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000281976839 1025851973 /nfs/dbraw/zinc/85/19/73/1025851973.db2.gz LPQKUHWQNRGXPD-APWZRJJASA-N 1 1 346.446 3.688 20 30 EHEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000281976839 1025851992 /nfs/dbraw/zinc/85/19/92/1025851992.db2.gz LPQKUHWQNRGXPD-APWZRJJASA-N 1 1 346.446 3.688 20 30 EHEDMO CC(C)[C@@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1nnc2ccccn21 ZINC000329465758 1025883595 /nfs/dbraw/zinc/88/35/95/1025883595.db2.gz VRRBXUPCQNMETC-JTTJXQCZSA-N 1 1 343.475 3.551 20 30 EHEDMO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CCC3(CCOCC3)[C@@H]2C)sc1C ZINC000329469373 1025887249 /nfs/dbraw/zinc/88/72/49/1025887249.db2.gz XMBTUBXOBNEJOP-OCCSQVGLSA-N 1 1 337.489 3.627 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000338139798 1025928879 /nfs/dbraw/zinc/92/88/79/1025928879.db2.gz KLPINVORHANROE-KRWDZBQOSA-N 1 1 347.462 3.603 20 30 EHEDMO N#CC1(c2ccc(C[N@H+]3C[C@@H]4C[C@H]3CN4c3ccccc3)cc2)CC1 ZINC000896791344 1026029116 /nfs/dbraw/zinc/02/91/16/1026029116.db2.gz CGTPBFSPWZSRHI-SFTDATJTSA-N 1 1 329.447 3.705 20 30 EHEDMO COc1nc(C)cc(C)c1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000329052473 1026106746 /nfs/dbraw/zinc/10/67/46/1026106746.db2.gz ACTDMPNNSTXEIM-QGZVFWFLSA-N 1 1 331.460 3.571 20 30 EHEDMO Clc1cccc(C#CC[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000451626159 1026160608 /nfs/dbraw/zinc/16/06/08/1026160608.db2.gz JYCKJLXAYWIPAJ-MOPGFXCFSA-N 1 1 329.871 3.973 20 30 EHEDMO C=CCCCC[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000582401195 1026165289 /nfs/dbraw/zinc/16/52/89/1026165289.db2.gz QEKHFQIWFWMAHP-UHFFFAOYSA-N 1 1 325.250 3.676 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2csc(C#N)c2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC000896988701 1026210641 /nfs/dbraw/zinc/21/06/41/1026210641.db2.gz YFXVDHSKVFYQQE-HIFRSBDPSA-N 1 1 349.500 3.602 20 30 EHEDMO CC(C)Oc1ccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1C#N ZINC000178581177 1026236160 /nfs/dbraw/zinc/23/61/60/1026236160.db2.gz IIGPIGXUVPVKJD-IBGZPJMESA-N 1 1 337.423 3.587 20 30 EHEDMO C[C@H](CCC#N)C[N@@H+]1CCc2cc(Br)c(F)cc2C1 ZINC000897029416 1026239004 /nfs/dbraw/zinc/23/90/04/1026239004.db2.gz WRRBSGUDGLQMIK-LLVKDONJSA-N 1 1 325.225 3.886 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1CCc2cc(Br)c(F)cc2C1 ZINC000897029416 1026239021 /nfs/dbraw/zinc/23/90/21/1026239021.db2.gz WRRBSGUDGLQMIK-LLVKDONJSA-N 1 1 325.225 3.886 20 30 EHEDMO C=CCCCCNC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475174118 1026295756 /nfs/dbraw/zinc/29/57/56/1026295756.db2.gz KOFLUQQMLLTBPO-IBGZPJMESA-N 1 1 329.488 3.649 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000186167814 1026301856 /nfs/dbraw/zinc/30/18/56/1026301856.db2.gz SLQIHCLPHAZUID-IBGZPJMESA-N 1 1 349.482 3.564 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000523010540 1026365573 /nfs/dbraw/zinc/36/55/73/1026365573.db2.gz JMEAEHQRWWJLOV-SOLBZPMBSA-N 1 1 330.447 3.593 20 30 EHEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000342608181 1026452187 /nfs/dbraw/zinc/45/21/87/1026452187.db2.gz UVROFNTXMAHRRN-SJFMBGHLSA-N 1 1 339.483 3.707 20 30 EHEDMO COC[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000452100846 1026475988 /nfs/dbraw/zinc/47/59/88/1026475988.db2.gz IQZKUSITHLLFHM-ZDUSSCGKSA-N 1 1 337.261 3.569 20 30 EHEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1cc(C#N)ccc1C ZINC000531080972 1026544325 /nfs/dbraw/zinc/54/43/25/1026544325.db2.gz ZTWWTUJEDGRMRR-KRWDZBQOSA-N 1 1 328.460 3.643 20 30 EHEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475452214 1027007459 /nfs/dbraw/zinc/00/74/59/1027007459.db2.gz JBZPHPUGDUCXCR-UXHICEINSA-N 1 1 341.499 3.845 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000501306195 1027197808 /nfs/dbraw/zinc/19/78/08/1027197808.db2.gz SYQMZKSWSZRVSJ-GOSISDBHSA-N 1 1 342.826 3.874 20 30 EHEDMO C=CC[NH+](CC=C)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000514112409 1027236824 /nfs/dbraw/zinc/23/68/24/1027236824.db2.gz GBMVNIIWAIVYPQ-UHFFFAOYSA-N 1 1 327.255 3.626 20 30 EHEDMO Cc1csc(C[C@@H]2CC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)n1 ZINC000897299187 1027404353 /nfs/dbraw/zinc/40/43/53/1027404353.db2.gz WMSZXSFWTNHDCL-WBVHZDCISA-N 1 1 341.480 3.807 20 30 EHEDMO C#Cc1ccc(C(=O)N2CCC(CC[N@H+](CC)CC3CC3)CC2)cc1 ZINC000897299490 1027404659 /nfs/dbraw/zinc/40/46/59/1027404659.db2.gz HDYGUKZFUCGSQH-UHFFFAOYSA-N 1 1 338.495 3.642 20 30 EHEDMO Cc1ccc(N2CCC(Nc3c(Cl)cccc3C#N)CC2)[nH+]c1 ZINC000078305645 1027641858 /nfs/dbraw/zinc/64/18/58/1027641858.db2.gz UVPFXPGQNQRNIN-UHFFFAOYSA-N 1 1 326.831 3.996 20 30 EHEDMO C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000186627887 1027710518 /nfs/dbraw/zinc/71/05/18/1027710518.db2.gz CQLFWJPFJDZZSI-VBKZILBWSA-N 1 1 334.398 3.871 20 30 EHEDMO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046529785 1027726096 /nfs/dbraw/zinc/72/60/96/1027726096.db2.gz HTSXIINRESBKGO-SFHVURJKSA-N 1 1 349.478 3.816 20 30 EHEDMO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046529785 1027726112 /nfs/dbraw/zinc/72/61/12/1027726112.db2.gz HTSXIINRESBKGO-SFHVURJKSA-N 1 1 349.478 3.816 20 30 EHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000459339165 1027727053 /nfs/dbraw/zinc/72/70/53/1027727053.db2.gz NHVUEZRQBYDTBR-HNNXBMFYSA-N 1 1 325.343 3.595 20 30 EHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000459339165 1027727072 /nfs/dbraw/zinc/72/70/72/1027727072.db2.gz NHVUEZRQBYDTBR-HNNXBMFYSA-N 1 1 325.343 3.595 20 30 EHEDMO C=CCCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000533437583 1027842670 /nfs/dbraw/zinc/84/26/70/1027842670.db2.gz NJVATHVDYVJLSE-CQSZACIVSA-N 1 1 345.512 3.971 20 30 EHEDMO N#Cc1ccc(Cl)c(C[NH+]2CCC3(CC(F)(F)CO3)CC2)c1 ZINC001140600582 1027960887 /nfs/dbraw/zinc/96/08/87/1027960887.db2.gz OPAQVABGVITXEY-UHFFFAOYSA-N 1 1 326.774 3.602 20 30 EHEDMO C=CC(C)(C)CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000455361695 1028097341 /nfs/dbraw/zinc/09/73/41/1028097341.db2.gz DSWLQTCACJTGOO-ZBFHGGJFSA-N 1 1 335.517 3.642 20 30 EHEDMO C[C@@H]1C[N@@H+](C)CCN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444644364 1028109157 /nfs/dbraw/zinc/10/91/57/1028109157.db2.gz XKGVISAXZLBUNJ-LJQANCHMSA-N 1 1 333.479 3.522 20 30 EHEDMO C[C@@H]1CN(C)CC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444644364 1028109168 /nfs/dbraw/zinc/10/91/68/1028109168.db2.gz XKGVISAXZLBUNJ-LJQANCHMSA-N 1 1 333.479 3.522 20 30 EHEDMO C[C@@H]1CN(C)CC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444644364 1028109178 /nfs/dbraw/zinc/10/91/78/1028109178.db2.gz XKGVISAXZLBUNJ-LJQANCHMSA-N 1 1 333.479 3.522 20 30 EHEDMO CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H]1CCCC[C@H]1C ZINC000444679106 1028147211 /nfs/dbraw/zinc/14/72/11/1028147211.db2.gz UBNSDIFTPCTWCT-MJGOQNOKSA-N 1 1 327.472 3.834 20 30 EHEDMO C[N@@H+]1CCC[C@H](CNCc2ccc(C#N)c(F)c2)[C@@H]1c1cccs1 ZINC000421352837 1028298170 /nfs/dbraw/zinc/29/81/70/1028298170.db2.gz DOQPYRPOQOJMGC-VQIMIIECSA-N 1 1 343.471 3.932 20 30 EHEDMO C[N@H+]1CCC[C@H](CNCc2ccc(C#N)c(F)c2)[C@@H]1c1cccs1 ZINC000421352837 1028298185 /nfs/dbraw/zinc/29/81/85/1028298185.db2.gz DOQPYRPOQOJMGC-VQIMIIECSA-N 1 1 343.471 3.932 20 30 EHEDMO C[C@@H](NC(C)(C)C[NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000421372772 1028330834 /nfs/dbraw/zinc/33/08/34/1028330834.db2.gz YXZNAFGHSMIBJO-OAHLLOKOSA-N 1 1 325.431 3.916 20 30 EHEDMO C[C@H](NC(C)(C)C[NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000421372771 1028332291 /nfs/dbraw/zinc/33/22/91/1028332291.db2.gz YXZNAFGHSMIBJO-HNNXBMFYSA-N 1 1 325.431 3.916 20 30 EHEDMO N#CCCC1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000582962312 1028368367 /nfs/dbraw/zinc/36/83/67/1028368367.db2.gz PMFXBWRAFIFMIL-UHFFFAOYSA-N 1 1 348.450 3.753 20 30 EHEDMO C=CCCCCCN(C)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000523518543 1028393727 /nfs/dbraw/zinc/39/37/27/1028393727.db2.gz FYXXBVZHZHWHNO-SFHVURJKSA-N 1 1 343.515 3.821 20 30 EHEDMO CCCC[N@@H+]1CCCC[C@H]1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000729682946 1028449418 /nfs/dbraw/zinc/44/94/18/1028449418.db2.gz VXWNSOYMEHVTLH-MJGOQNOKSA-N 1 1 329.488 3.722 20 30 EHEDMO CCCC[N@H+]1CCCC[C@H]1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000729682946 1028449426 /nfs/dbraw/zinc/44/94/26/1028449426.db2.gz VXWNSOYMEHVTLH-MJGOQNOKSA-N 1 1 329.488 3.722 20 30 EHEDMO C[C@@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000423482045 1028471521 /nfs/dbraw/zinc/47/15/21/1028471521.db2.gz XOERGHHMPPWCQW-MFMILTCTSA-N 1 1 337.442 3.741 20 30 EHEDMO N#Cc1c(F)cccc1C[NH2+]C1(c2cccc(F)c2)CCOCC1 ZINC000428389342 1028520300 /nfs/dbraw/zinc/52/03/00/1028520300.db2.gz ZMYIMTJYZPGPMX-UHFFFAOYSA-N 1 1 328.362 3.632 20 30 EHEDMO Cc1nsc(NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1C#N ZINC000343030272 1028711707 /nfs/dbraw/zinc/71/17/07/1028711707.db2.gz XDWJJYNLUHMQLO-QGZVFWFLSA-N 1 1 326.469 3.646 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1ccc(F)cc1 ZINC000532755355 1028799421 /nfs/dbraw/zinc/79/94/21/1028799421.db2.gz CXTKHOULGJGWRM-HNNXBMFYSA-N 1 1 346.471 3.922 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)cc1 ZINC000532755355 1028799437 /nfs/dbraw/zinc/79/94/37/1028799437.db2.gz CXTKHOULGJGWRM-HNNXBMFYSA-N 1 1 346.471 3.922 20 30 EHEDMO N#Cc1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000421865913 1028859915 /nfs/dbraw/zinc/85/99/15/1028859915.db2.gz ARXZQBZGOCSOGP-BCDXTJNWSA-N 1 1 337.492 3.905 20 30 EHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000076070330 1028873299 /nfs/dbraw/zinc/87/32/99/1028873299.db2.gz FIHCXFJYHDBPOM-ZWKOTPCHSA-N 1 1 345.512 3.539 20 30 EHEDMO CC[C@@H]1CCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000532965164 1029112196 /nfs/dbraw/zinc/11/21/96/1029112196.db2.gz BKKYYTSTUNRTDC-CYBMUJFWSA-N 1 1 331.485 3.702 20 30 EHEDMO CC[C@@H]1CCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000532965164 1029112203 /nfs/dbraw/zinc/11/22/03/1029112203.db2.gz BKKYYTSTUNRTDC-CYBMUJFWSA-N 1 1 331.485 3.702 20 30 EHEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000532977677 1029132376 /nfs/dbraw/zinc/13/23/76/1029132376.db2.gz PHALKRQHPNWPKH-PBHICJAKSA-N 1 1 337.398 3.514 20 30 EHEDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2OC)c1 ZINC000533001741 1029161397 /nfs/dbraw/zinc/16/13/97/1029161397.db2.gz ITQDEECMGATLDW-IBGZPJMESA-N 1 1 336.435 3.783 20 30 EHEDMO COc1ccc(C#N)cc1C[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000533002417 1029162524 /nfs/dbraw/zinc/16/25/24/1029162524.db2.gz XLHJJGNSNUMEPZ-UHFFFAOYSA-N 1 1 328.387 3.607 20 30 EHEDMO C=C(C)COc1cc(CN2CCC[N@H+](C(C)C)CC2)ccc1OC ZINC000505301624 1029450195 /nfs/dbraw/zinc/45/01/95/1029450195.db2.gz KNWYDEVZNYICPH-UHFFFAOYSA-N 1 1 332.488 3.566 20 30 EHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCOc2cccc(C#N)c2)C12CCC2 ZINC001167665122 1029556387 /nfs/dbraw/zinc/55/63/87/1029556387.db2.gz XATAAYCDMIRBMA-RTBURBONSA-N 1 1 328.456 3.607 20 30 EHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@H](C)C[C@@H]2C)c1C#N ZINC000533296034 1029598024 /nfs/dbraw/zinc/59/80/24/1029598024.db2.gz SLSNOVQQCBQPJA-KGLIPLIRSA-N 1 1 342.487 3.761 20 30 EHEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@@H]2CCCC[C@H]12 ZINC000583301162 1029607264 /nfs/dbraw/zinc/60/72/64/1029607264.db2.gz BFTMHNCVLSIXNT-ATZDWAIDSA-N 1 1 325.456 3.787 20 30 EHEDMO CSc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026325238 1029645230 /nfs/dbraw/zinc/64/52/30/1029645230.db2.gz CAKFAMPULJORSO-CQSZACIVSA-N 1 1 339.464 3.739 20 30 EHEDMO CSc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026325238 1029645234 /nfs/dbraw/zinc/64/52/34/1029645234.db2.gz CAKFAMPULJORSO-CQSZACIVSA-N 1 1 339.464 3.739 20 30 EHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](C)CCC[C@@H]2C)c(OC)c1 ZINC000525127692 1029698696 /nfs/dbraw/zinc/69/86/96/1029698696.db2.gz NHZYNOLOSKIYLA-JENIJYKNSA-N 1 1 347.499 3.674 20 30 EHEDMO CC1(C)C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@H]1c1ccccc1 ZINC000441074079 1029743911 /nfs/dbraw/zinc/74/39/11/1029743911.db2.gz MBTXBABITWBZRM-IBGZPJMESA-N 1 1 333.435 3.622 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc(C#N)cc2)cc1 ZINC000080254492 1029761815 /nfs/dbraw/zinc/76/18/15/1029761815.db2.gz ZNRRAWGEGYIDSF-CQSZACIVSA-N 1 1 330.391 3.543 20 30 EHEDMO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccccc3C#N)ccc2NC1=O ZINC000163024641 1029820465 /nfs/dbraw/zinc/82/04/65/1029820465.db2.gz GGYPWMQFLBIVBZ-ACJLOTCBSA-N 1 1 335.407 3.519 20 30 EHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(CC#N)cc2Cl)[C@H](C)C1 ZINC000455695782 1029837483 /nfs/dbraw/zinc/83/74/83/1029837483.db2.gz BLSHNLYDPFDRPH-DYVFJYSZSA-N 1 1 348.878 3.600 20 30 EHEDMO C[N@@H+](CCNC(=O)Nc1ccc(CC#N)cc1Cl)C1CCCCC1 ZINC000455733033 1029869072 /nfs/dbraw/zinc/86/90/72/1029869072.db2.gz NCUHZCCWCBCWGN-UHFFFAOYSA-N 1 1 348.878 3.792 20 30 EHEDMO CCc1ccc(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000441178470 1029877099 /nfs/dbraw/zinc/87/70/99/1029877099.db2.gz OLBIQWFLRHWMDR-UHFFFAOYSA-N 1 1 332.407 3.803 20 30 EHEDMO CCc1ccc(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000441178470 1029877106 /nfs/dbraw/zinc/87/71/06/1029877106.db2.gz OLBIQWFLRHWMDR-UHFFFAOYSA-N 1 1 332.407 3.803 20 30 EHEDMO CCCn1cc[nH+]c1CCCN(C)c1cc(C#N)c2ccccc2n1 ZINC000428682501 1029920056 /nfs/dbraw/zinc/92/00/56/1029920056.db2.gz RKANTGNZYWBRGX-UHFFFAOYSA-N 1 1 333.439 3.782 20 30 EHEDMO C=CCCC[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000121035633 1030165301 /nfs/dbraw/zinc/16/53/01/1030165301.db2.gz WWPZWTQPFFKCSY-LJQANCHMSA-N 1 1 330.472 3.647 20 30 EHEDMO CC[N@@H+]1CCO[C@@H](CNc2cccc(F)c2C#N)[C@H]1c1ccccc1 ZINC000343331192 1030324397 /nfs/dbraw/zinc/32/43/97/1030324397.db2.gz CDCYQRWGABNTOR-VQTJNVASSA-N 1 1 339.414 3.571 20 30 EHEDMO CC[N@H+]1CCO[C@@H](CNc2cccc(F)c2C#N)[C@H]1c1ccccc1 ZINC000343331192 1030324415 /nfs/dbraw/zinc/32/44/15/1030324415.db2.gz CDCYQRWGABNTOR-VQTJNVASSA-N 1 1 339.414 3.571 20 30 EHEDMO C=C(C)Cn1c(CCCC)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000453452780 1030326637 /nfs/dbraw/zinc/32/66/37/1030326637.db2.gz NEMJREOVQXOKFO-QGZVFWFLSA-N 1 1 345.535 3.507 20 30 EHEDMO Fc1ccc(C#CC[N@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC000429724877 1030379790 /nfs/dbraw/zinc/37/97/90/1030379790.db2.gz NKHHONVAVCNOQD-UHFFFAOYSA-N 1 1 341.401 3.998 20 30 EHEDMO C=CC[N@H+](Cc1cn(C)nc1-c1ccncc1)Cc1cccc(C#N)c1 ZINC000092504547 1030472211 /nfs/dbraw/zinc/47/22/11/1030472211.db2.gz OVVAHCRUOYZWSO-UHFFFAOYSA-N 1 1 343.434 3.542 20 30 EHEDMO CC(C)[N@@H+](C)CC1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000526988241 1030550675 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N#Cc1ccc(OCCC[N@@H+]2CCCN(Cc3ccccc3)CC2)cc1 ZINC000323673186 1030806143 /nfs/dbraw/zinc/80/61/43/1030806143.db2.gz OEIRVYNQAMUDQQ-UHFFFAOYSA-N 1 1 349.478 3.535 20 30 EHEDMO N#Cc1ccc(OCCC[N@H+]2CCCN(Cc3ccccc3)CC2)cc1 ZINC000323673186 1030806158 /nfs/dbraw/zinc/80/61/58/1030806158.db2.gz OEIRVYNQAMUDQQ-UHFFFAOYSA-N 1 1 349.478 3.535 20 30 EHEDMO N#CCc1ccc(CNC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000583811878 1030808495 /nfs/dbraw/zinc/80/84/95/1030808495.db2.gz DSASFMKOAIBGEO-UHFFFAOYSA-N 1 1 333.479 3.549 20 30 EHEDMO Cc1ccnc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1C#N ZINC000343436944 1030882425 /nfs/dbraw/zinc/88/24/25/1030882425.db2.gz LUCCOOYZEGERMD-UHFFFAOYSA-N 1 1 340.858 3.627 20 30 EHEDMO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000190687238 1030922012 /nfs/dbraw/zinc/92/20/12/1030922012.db2.gz CMFDJZFEFNEIEO-HNNXBMFYSA-N 1 1 349.434 3.891 20 30 EHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000190687238 1030922033 /nfs/dbraw/zinc/92/20/33/1030922033.db2.gz CMFDJZFEFNEIEO-HNNXBMFYSA-N 1 1 349.434 3.891 20 30 EHEDMO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000483273583 1031080435 /nfs/dbraw/zinc/08/04/35/1031080435.db2.gz SVUFEFFGRMUXDW-UXHICEINSA-N 1 1 334.467 3.809 20 30 EHEDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000483273583 1031080452 /nfs/dbraw/zinc/08/04/52/1031080452.db2.gz SVUFEFFGRMUXDW-UXHICEINSA-N 1 1 334.467 3.809 20 30 EHEDMO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@H](OC)C2)cc1OC ZINC000628143353 1031255420 /nfs/dbraw/zinc/25/54/20/1031255420.db2.gz KFWLAHLOMXRMEG-AWEZNQCLSA-N 1 1 325.836 3.524 20 30 EHEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](OC)C2)cc1OC ZINC000628143353 1031255430 /nfs/dbraw/zinc/25/54/30/1031255430.db2.gz KFWLAHLOMXRMEG-AWEZNQCLSA-N 1 1 325.836 3.524 20 30 EHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000477169643 1031307368 /nfs/dbraw/zinc/30/73/68/1031307368.db2.gz ZKTPHQPGYSQSRC-NHCUHLMSSA-N 1 1 337.463 3.644 20 30 EHEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000343544525 1031330080 /nfs/dbraw/zinc/33/00/80/1031330080.db2.gz XYPNZSIYBYIENP-LJQANCHMSA-N 1 1 334.419 3.861 20 30 EHEDMO Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c(Cl)n1 ZINC001142147143 1031330695 /nfs/dbraw/zinc/33/06/95/1031330695.db2.gz GQHJWBBQYSZLJM-GOSISDBHSA-N 1 1 341.842 3.959 20 30 EHEDMO Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c(Cl)n1 ZINC001142147143 1031330708 /nfs/dbraw/zinc/33/07/08/1031330708.db2.gz GQHJWBBQYSZLJM-GOSISDBHSA-N 1 1 341.842 3.959 20 30 EHEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458755609 1031346555 /nfs/dbraw/zinc/34/65/55/1031346555.db2.gz BCKDDMSHLXSHLQ-OALUTQOASA-N 1 1 342.487 3.595 20 30 EHEDMO C=CCCCCNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460887907 1031388322 /nfs/dbraw/zinc/38/83/22/1031388322.db2.gz ADMGMKRTGQVJGF-WOJBJXKFSA-N 1 1 341.499 3.506 20 30 EHEDMO N#CCc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1 ZINC000343588596 1031531244 /nfs/dbraw/zinc/53/12/44/1031531244.db2.gz WUMQZWFKFLPWGN-OAQYLSRUSA-N 1 1 347.462 3.537 20 30 EHEDMO Cc1cc([NH+]2CCCC2)ccc1N[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000052774299 1031558799 /nfs/dbraw/zinc/55/87/99/1031558799.db2.gz XTZYHXAODWQQSC-MRXNPFEDSA-N 1 1 348.450 3.906 20 30 EHEDMO Cc1cc([NH+]2CCCC2)ccc1N[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000052774298 1031559283 /nfs/dbraw/zinc/55/92/83/1031559283.db2.gz XTZYHXAODWQQSC-INIZCTEOSA-N 1 1 348.450 3.906 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000026231531 1031613008 /nfs/dbraw/zinc/61/30/08/1031613008.db2.gz MFRXPDMPAKEHDI-MRXNPFEDSA-N 1 1 325.437 3.785 20 30 EHEDMO C=CC[N@H+](Cc1cc(=O)n2cc(C)ccc2n1)CC1CCCCC1 ZINC000484571922 1031728081 /nfs/dbraw/zinc/72/80/81/1031728081.db2.gz OQIWLOKCRSDQLA-UHFFFAOYSA-N 1 1 325.456 3.571 20 30 EHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000607755134 1033303008 /nfs/dbraw/zinc/30/30/08/1033303008.db2.gz IEGQSFZPGVPOFM-DYESRHJHSA-N 1 1 337.463 3.602 20 30 EHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000598597228 1033319921 /nfs/dbraw/zinc/31/99/21/1033319921.db2.gz YAGLBJDBPFZSTC-LPHOPBHVSA-N 1 1 325.456 3.996 20 30 EHEDMO C[C@H](C[N@@H+](C)CC(=O)Nc1ccccc1SCC#N)C(C)(C)C ZINC000603053285 1033327293 /nfs/dbraw/zinc/32/72/93/1033327293.db2.gz AAYGAVTUTMXCRL-CQSZACIVSA-N 1 1 333.501 3.855 20 30 EHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000598607259 1033337359 /nfs/dbraw/zinc/33/73/59/1033337359.db2.gz IVJKMMWDVLIIJJ-NMLBUPMWSA-N 1 1 326.484 3.945 20 30 EHEDMO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](CCCC#N)c2ccccc2)CC[N@H+]1C ZINC000458804799 1033388748 /nfs/dbraw/zinc/38/87/48/1033388748.db2.gz SXNUYUAIKJLGES-NEWSRXKRSA-N 1 1 342.487 3.546 20 30 EHEDMO CC(C)(C#N)c1ccc(CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1 ZINC000594521501 1033429174 /nfs/dbraw/zinc/42/91/74/1033429174.db2.gz SAGZJGQBIOBOMZ-OAQYLSRUSA-N 1 1 349.478 3.666 20 30 EHEDMO N#Cc1c(C(F)F)cccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000594568358 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3.756 20 30 EHEDMO C[C@@H](NCC1(C#N)CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000595089953 1033698332 /nfs/dbraw/zinc/69/83/32/1033698332.db2.gz ARDGHNVYSWWBQQ-QGZVFWFLSA-N 1 1 329.488 3.752 20 30 EHEDMO COc1ccc([C@H](C)[NH2+]CC2(C#N)CCCCC2)cc1NC(C)=O ZINC000595092030 1033701742 /nfs/dbraw/zinc/70/17/42/1033701742.db2.gz VCHBFSLQXAREPU-AWEZNQCLSA-N 1 1 329.444 3.778 20 30 EHEDMO Cn1cc[nH+]c1C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1 ZINC000078558940 1033707565 /nfs/dbraw/zinc/70/75/65/1033707565.db2.gz YHYYLZZOOXYCPK-SFHVURJKSA-N 1 1 347.378 3.596 20 30 EHEDMO CCC[N@@H+](C)C[C@H]1CCN(c2c(C#N)cnc3c(C)cc(C)cc32)C1 ZINC000078562987 1033713905 /nfs/dbraw/zinc/71/39/05/1033713905.db2.gz KQVRUXWKFYSBHV-QGZVFWFLSA-N 1 1 336.483 3.891 20 30 EHEDMO N#CC1CCC(CNc2nc(N3Cc4ccccc4C3)cc[nH+]2)CC1 ZINC000599074824 1033720486 /nfs/dbraw/zinc/72/04/86/1033720486.db2.gz QIEXHGWXQKQIMP-UHFFFAOYSA-N 1 1 333.439 3.739 20 30 EHEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595332531 1033733517 /nfs/dbraw/zinc/73/35/17/1033733517.db2.gz JVQVFEJFLRXCGE-IQMFZBJNSA-N 1 1 326.465 3.531 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(Oc3cncc(Cl)c3)CC2)s1 ZINC000575068779 1033772657 /nfs/dbraw/zinc/77/26/57/1033772657.db2.gz BGIGOPRPILEMJW-UHFFFAOYSA-N 1 1 333.844 3.712 20 30 EHEDMO C=C(C)C[N@H+](C)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000628234572 1033805919 /nfs/dbraw/zinc/80/59/19/1033805919.db2.gz FOXCNSZFWABRLK-UHFFFAOYSA-N 1 1 326.263 3.909 20 30 EHEDMO C[C@@H](c1ccsc1)[NH+]1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595438863 1033802830 /nfs/dbraw/zinc/80/28/30/1033802830.db2.gz IRNVOWZBWGUXNZ-INIZCTEOSA-N 1 1 325.481 3.541 20 30 EHEDMO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595609972 1033920059 /nfs/dbraw/zinc/92/00/59/1033920059.db2.gz RAVSSODGADSIRC-HKUYNNGSSA-N 1 1 341.499 3.688 20 30 EHEDMO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595609972 1033920068 /nfs/dbraw/zinc/92/00/68/1033920068.db2.gz RAVSSODGADSIRC-HKUYNNGSSA-N 1 1 341.499 3.688 20 30 EHEDMO 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EHEDMO C=CC[N@@H+](CCC(=O)Nc1ccccc1Cl)CCc1ccco1 ZINC000491329754 1036957098 /nfs/dbraw/zinc/95/70/98/1036957098.db2.gz NQRITSMPHYUZNF-UHFFFAOYSA-N 1 1 332.831 3.992 20 30 EHEDMO CN(CCC[N@@H+](C)Cc1ccco1)c1cc(C#N)c2ccccc2n1 ZINC000343832991 1037003111 /nfs/dbraw/zinc/00/31/11/1037003111.db2.gz DUQNBRNMCLAOAG-UHFFFAOYSA-N 1 1 334.423 3.658 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CCC(F)(F)F ZINC000104677512 1037082868 /nfs/dbraw/zinc/08/28/68/1037082868.db2.gz QTUVQWGDZGDQBI-GFCCVEGCSA-N 1 1 334.407 3.535 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CCC(F)(F)F ZINC000104677512 1037082886 /nfs/dbraw/zinc/08/28/86/1037082886.db2.gz QTUVQWGDZGDQBI-GFCCVEGCSA-N 1 1 334.407 3.535 20 30 EHEDMO Cc1cc(C#N)cc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000590858455 1037103079 /nfs/dbraw/zinc/10/30/79/1037103079.db2.gz CVSCKWABYDLASF-RDJZCZTQSA-N 1 1 340.471 3.641 20 30 EHEDMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H](O)COc1ccccc1 ZINC000057944097 1037262564 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C[C@H]1C[C@H](N(C)C(=O)C#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000176374573 1037557768 /nfs/dbraw/zinc/55/77/68/1037557768.db2.gz GVEUDWUCQRTWFC-SIKLNZKXSA-N 1 1 346.474 3.550 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1cc(Cl)c(OC)c(OC)c1)c1ccc(F)cc1 ZINC000491668543 1037626272 /nfs/dbraw/zinc/62/62/72/1037626272.db2.gz YUICUSCWZUROKJ-MRXNPFEDSA-N 1 1 333.790 3.960 20 30 EHEDMO CC[N@@H+](CCC1CCN(c2nc(C)ccc2C#N)CC1)CC(C)C ZINC000540204399 1037680755 /nfs/dbraw/zinc/68/07/55/1037680755.db2.gz DGDNJIHLNLWHOH-UHFFFAOYSA-N 1 1 328.504 3.846 20 30 EHEDMO N#Cc1ccsc1NC(=O)CC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000053231829 1037789063 /nfs/dbraw/zinc/78/90/63/1037789063.db2.gz JHZADPGZILORCI-UHFFFAOYSA-N 1 1 343.427 3.752 20 30 EHEDMO CC[C@@H](C)[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1 ZINC000046171381 1037793568 /nfs/dbraw/zinc/79/35/68/1037793568.db2.gz IZYSKQPAEHTILH-QGZVFWFLSA-N 1 1 327.472 3.630 20 30 EHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000573923605 1037806052 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20 30 EHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(OC(F)F)cc1 ZINC000282097012 1038123458 /nfs/dbraw/zinc/12/34/58/1038123458.db2.gz VTJLKXDWCZZKDP-UHFFFAOYSA-N 1 1 338.398 3.820 20 30 EHEDMO Cc1cc(C#N)cnc1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000549415300 1038419795 /nfs/dbraw/zinc/41/97/95/1038419795.db2.gz UMSFGBVRAPTKPP-HNNXBMFYSA-N 1 1 348.450 3.746 20 30 EHEDMO C=CCC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC000470178939 1038567636 /nfs/dbraw/zinc/56/76/36/1038567636.db2.gz PXTQARQXZMJZGI-WOJBJXKFSA-N 1 1 326.484 3.870 20 30 EHEDMO C=C(CC)C[NH+]1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000539095151 1038681722 /nfs/dbraw/zinc/68/17/22/1038681722.db2.gz JMWMNMCGMGWVRF-KRWDZBQOSA-N 1 1 340.471 3.690 20 30 EHEDMO CC(C)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000500480044 1038794342 /nfs/dbraw/zinc/79/43/42/1038794342.db2.gz RFRVFRTXPNUWKL-AWEZNQCLSA-N 1 1 345.512 3.948 20 30 EHEDMO C[N@@H+](CCc1cccc(NC(=O)c2ccc(C#N)s2)c1)C1CC1 ZINC000539329012 1038797337 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CC[N@@H+](Cc1cccc(Cl)c1)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000488551026 1039265601 /nfs/dbraw/zinc/26/56/01/1039265601.db2.gz GEOQXWJGWBNJFR-OAHLLOKOSA-N 1 1 347.890 3.893 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000552512971 1039330779 /nfs/dbraw/zinc/33/07/79/1039330779.db2.gz BQOXGYBNEGHJBC-PBHICJAKSA-N 1 1 337.398 3.514 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000552512971 1039330789 /nfs/dbraw/zinc/33/07/89/1039330789.db2.gz BQOXGYBNEGHJBC-PBHICJAKSA-N 1 1 337.398 3.514 20 30 EHEDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)C1 ZINC000488732347 1039361214 /nfs/dbraw/zinc/36/12/14/1039361214.db2.gz HMXVFADACCZFQQ-IIYDPXPESA-N 1 1 337.389 3.744 20 30 EHEDMO C=CCNC(=O)C[NH2+]Cc1c(Cl)cccc1Oc1ccccc1 ZINC000478298345 1039363896 /nfs/dbraw/zinc/36/38/96/1039363896.db2.gz HORYVTNVHJVYJB-UHFFFAOYSA-N 1 1 330.815 3.524 20 30 EHEDMO Cc1ccc2ncc(C#N)c(N3CC[N@H+]([C@@H]4C[C@@H]4C)C[C@@H](C)C3)c2c1 ZINC000488755161 1039372748 /nfs/dbraw/zinc/37/27/48/1039372748.db2.gz WQHWQUWPTXGNAB-GQIGUUNPSA-N 1 1 334.467 3.581 20 30 EHEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000485682785 1039420062 /nfs/dbraw/zinc/42/00/62/1039420062.db2.gz GHYAIEMJACFPCI-JOCHJYFZSA-N 1 1 348.446 3.748 20 30 EHEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000485682785 1039420073 /nfs/dbraw/zinc/42/00/73/1039420073.db2.gz GHYAIEMJACFPCI-JOCHJYFZSA-N 1 1 348.446 3.748 20 30 EHEDMO COC(=O)c1ccccc1CC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000480540103 1039663944 /nfs/dbraw/zinc/66/39/44/1039663944.db2.gz WARIVFJFCHUBBK-RTWAWAEBSA-N 1 1 348.446 3.787 20 30 EHEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000489497715 1040025912 /nfs/dbraw/zinc/02/59/12/1040025912.db2.gz OYXXIVSNZSKPIC-RDJZCZTQSA-N 1 1 326.440 3.993 20 30 EHEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000489497715 1040025927 /nfs/dbraw/zinc/02/59/27/1040025927.db2.gz OYXXIVSNZSKPIC-RDJZCZTQSA-N 1 1 326.440 3.993 20 30 EHEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(C)c(F)c(F)c1)C2 ZINC001143605353 1040044606 /nfs/dbraw/zinc/04/46/06/1040044606.db2.gz MCBOQGLAVKRWRC-VQIMIIECSA-N 1 1 337.410 3.599 20 30 EHEDMO Cc1nsc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1C#N ZINC000553480913 1040114140 /nfs/dbraw/zinc/11/41/40/1040114140.db2.gz GAOFZDNCSTVMQF-CQSZACIVSA-N 1 1 332.517 3.804 20 30 EHEDMO N#Cc1cccc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512642391 1040382547 /nfs/dbraw/zinc/38/25/47/1040382547.db2.gz PEQZBZWGCAXEIH-XPWALMASSA-N 1 1 345.490 3.949 20 30 EHEDMO N#Cc1cccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512642391 1040382566 /nfs/dbraw/zinc/38/25/66/1040382566.db2.gz PEQZBZWGCAXEIH-XPWALMASSA-N 1 1 345.490 3.949 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000120459915 1040456667 /nfs/dbraw/zinc/45/66/67/1040456667.db2.gz ONRVPMKYCHJOBU-UHFFFAOYSA-N 1 1 335.451 3.799 20 30 EHEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000120459915 1040456676 /nfs/dbraw/zinc/45/66/76/1040456676.db2.gz ONRVPMKYCHJOBU-UHFFFAOYSA-N 1 1 335.451 3.799 20 30 EHEDMO Cc1[nH]c(C2CCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)[nH+]c1C ZINC000899509233 1040617105 /nfs/dbraw/zinc/61/71/05/1040617105.db2.gz JZRWBLWKZMPNOH-UHFFFAOYSA-N 1 1 342.830 3.571 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000600110817 1040658533 /nfs/dbraw/zinc/65/85/33/1040658533.db2.gz FYMZQNNRTQQTSX-UHFFFAOYSA-N 1 1 330.435 3.752 20 30 EHEDMO C=CCc1ccnc(NCCC[N@H+]2CCCC[C@@H]2C)c1C(OC)OC ZINC001167751127 1040807793 /nfs/dbraw/zinc/80/77/93/1040807793.db2.gz ICSDXMKVRCTXEV-INIZCTEOSA-N 1 1 347.503 3.778 20 30 EHEDMO N#CCc1cccc2c1CC[N@@H+](Cc1ccc(C3(C#N)CC3)cc1)C2 ZINC000600212979 1040828857 /nfs/dbraw/zinc/82/88/57/1040828857.db2.gz MVBMJRCUECMHJS-UHFFFAOYSA-N 1 1 327.431 3.866 20 30 EHEDMO C=C(C)[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000481610216 1041136236 /nfs/dbraw/zinc/13/62/36/1041136236.db2.gz PSOOODLUMLGXFJ-IXDGSTSKSA-N 1 1 336.426 3.867 20 30 EHEDMO N#CCN1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000044591353 1041161390 /nfs/dbraw/zinc/16/13/90/1041161390.db2.gz NNMROMQHNQTLIG-UHFFFAOYSA-N 1 1 331.872 3.710 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1ccccc1C(F)(F)F)CC(C)(C)C#N ZINC000433303293 1041245624 /nfs/dbraw/zinc/24/56/24/1041245624.db2.gz KNWNSOSTPRLWMU-UHFFFAOYSA-N 1 1 327.350 3.516 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000364441338 1041305286 /nfs/dbraw/zinc/30/52/86/1041305286.db2.gz KGOLOMDTYGBGPW-JOCHJYFZSA-N 1 1 345.446 3.584 20 30 EHEDMO C=CCC(C)(C)CNC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000432092597 1041582825 /nfs/dbraw/zinc/58/28/25/1041582825.db2.gz PTOFFKSSAQZIKL-WMZOPIPTSA-N 1 1 329.488 3.723 20 30 EHEDMO C=CCC(C)(C)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000432097685 1041589161 /nfs/dbraw/zinc/58/91/61/1041589161.db2.gz MERYEXCCLIAYGZ-IEBWSBKVSA-N 1 1 343.515 3.799 20 30 EHEDMO C=CC[N@H+](Cc1nc2cc(Br)ccc2o1)[C@H](C)COC ZINC000661238942 1042026709 /nfs/dbraw/zinc/02/67/09/1042026709.db2.gz AFSJEJMNKXWJSQ-LLVKDONJSA-N 1 1 339.233 3.613 20 30 EHEDMO C=CC[N@@H+](Cc1nc2cc(Br)ccc2o1)[C@H](C)COC ZINC000661238942 1042026714 /nfs/dbraw/zinc/02/67/14/1042026714.db2.gz AFSJEJMNKXWJSQ-LLVKDONJSA-N 1 1 339.233 3.613 20 30 EHEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCCC3)cc2C)C1 ZINC000661381255 1042093215 /nfs/dbraw/zinc/09/32/15/1042093215.db2.gz YOMRIHHZPZCFAZ-GOSISDBHSA-N 1 1 341.499 3.822 20 30 EHEDMO Cc1[nH+]c(N)ccc1CNc1c(C#N)c(Cl)nc2cccc(F)c21 ZINC001167786563 1042486317 /nfs/dbraw/zinc/48/63/17/1042486317.db2.gz RFMXTJLCBZBUNW-UHFFFAOYSA-N 1 1 341.777 3.797 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000662082468 1042504525 /nfs/dbraw/zinc/50/45/25/1042504525.db2.gz VJQWFSONFVCYAG-MELADBBJSA-N 1 1 336.382 3.798 20 30 EHEDMO CC1(C)CN(Cc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000399020690 1042810694 /nfs/dbraw/zinc/81/06/94/1042810694.db2.gz HBTZQIZJCKPJON-UHFFFAOYSA-N 1 1 333.479 3.849 20 30 EHEDMO CC1(C)C[N@H+](Cc2ccc(CC#N)cc2)CCN1Cc1ccccc1 ZINC000399020690 1042810697 /nfs/dbraw/zinc/81/06/97/1042810697.db2.gz HBTZQIZJCKPJON-UHFFFAOYSA-N 1 1 333.479 3.849 20 30 EHEDMO CC1(C)C[N@@H+](Cc2ccc(CC#N)cc2)CCN1Cc1ccccc1 ZINC000399020690 1042810702 /nfs/dbraw/zinc/81/07/02/1042810702.db2.gz HBTZQIZJCKPJON-UHFFFAOYSA-N 1 1 333.479 3.849 20 30 EHEDMO CC(C)[C@H](C#N)N1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000609486698 1042983479 /nfs/dbraw/zinc/98/34/79/1042983479.db2.gz PKSBIKDAWOGIPJ-KRWDZBQOSA-N 1 1 337.920 3.598 20 30 EHEDMO C=C(C)C[N@@H+](CCOc1ccc(Cl)cc1)Cc1ccc(CO)o1 ZINC000512181233 1043710305 /nfs/dbraw/zinc/71/03/05/1043710305.db2.gz PJFXERQTTXUQOW-UHFFFAOYSA-N 1 1 335.831 3.882 20 30 EHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@](C)(C#N)CCSC)cc1 ZINC000344679167 1044281860 /nfs/dbraw/zinc/28/18/60/1044281860.db2.gz QXXNGVLOOVLDNU-LJQANCHMSA-N 1 1 347.528 3.684 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000279787529 1044657614 /nfs/dbraw/zinc/65/76/14/1044657614.db2.gz OCOXBXKHQYENGU-HZPDHXFCSA-N 1 1 348.512 3.529 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000279787529 1044657625 /nfs/dbraw/zinc/65/76/25/1044657625.db2.gz OCOXBXKHQYENGU-HZPDHXFCSA-N 1 1 348.512 3.529 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc2c1OCCO2 ZINC000076153941 1125535696 /nfs/dbraw/zinc/53/56/96/1125535696.db2.gz ZJVQNDPEBMNDIH-OALUTQOASA-N 1 1 334.419 3.730 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc2c1OCCO2 ZINC000076153941 1125535701 /nfs/dbraw/zinc/53/57/01/1125535701.db2.gz ZJVQNDPEBMNDIH-OALUTQOASA-N 1 1 334.419 3.730 20 30 EHEDMO C=CCN1C(=O)c2ccccc2N[C@]12CC[N@H+](C)[C@H](c1ccccc1)C2 ZINC000414186036 1125595522 /nfs/dbraw/zinc/59/55/22/1125595522.db2.gz OWURMJXSHCTJAH-RBBKRZOGSA-N 1 1 347.462 3.904 20 30 EHEDMO C=CCC[C@H](NC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC000623785757 1127162441 /nfs/dbraw/zinc/16/24/41/1127162441.db2.gz HRVBTYRHKZUBRL-HKUYNNGSSA-N 1 1 329.488 3.725 20 30 EHEDMO Cc1ccc(C[N@@H+](CCO)Cc2cccc(OCCCC#N)c2)cc1 ZINC000180844854 1127189854 /nfs/dbraw/zinc/18/98/54/1127189854.db2.gz JRNNQFBGWAYQHK-UHFFFAOYSA-N 1 1 338.451 3.672 20 30 EHEDMO CCC[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(F)cc1F ZINC000181680509 1127289499 /nfs/dbraw/zinc/28/94/99/1127289499.db2.gz LWTOHJXTFSUNTQ-QGZVFWFLSA-N 1 1 349.425 3.738 20 30 EHEDMO C[C@H](C#N)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000183835393 1127388441 /nfs/dbraw/zinc/38/84/41/1127388441.db2.gz DVXLNGYLEDYLRY-OAHLLOKOSA-N 1 1 336.464 3.909 20 30 EHEDMO CC(=NOCCCn1cc[nH+]c1C)c1nc2ccccc2n1C(F)F ZINC000764214422 1127462745 /nfs/dbraw/zinc/46/27/45/1127462745.db2.gz ZUWGTXWQZAYSQH-UHFFFAOYSA-N 1 1 347.369 3.767 20 30 EHEDMO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C#N)cc1C ZINC000186164027 1127814751 /nfs/dbraw/zinc/81/47/51/1127814751.db2.gz GTSCBRLNFCCFFZ-UHFFFAOYSA-N 1 1 343.377 3.606 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C#N)cc1C ZINC000186164027 1127814754 /nfs/dbraw/zinc/81/47/54/1127814754.db2.gz GTSCBRLNFCCFFZ-UHFFFAOYSA-N 1 1 343.377 3.606 20 30 EHEDMO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC000338585282 1127865181 /nfs/dbraw/zinc/86/51/81/1127865181.db2.gz PLNLWFZUIOFISB-HXUWFJFHSA-N 1 1 334.398 3.652 20 30 EHEDMO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC000338585282 1127865183 /nfs/dbraw/zinc/86/51/83/1127865183.db2.gz PLNLWFZUIOFISB-HXUWFJFHSA-N 1 1 334.398 3.652 20 30 EHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCC1(C)C ZINC000108366609 1128131521 /nfs/dbraw/zinc/13/15/21/1128131521.db2.gz PWPINXROIBIGDQ-AWEZNQCLSA-N 1 1 331.485 3.751 20 30 EHEDMO C=CCOc1cccc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000624572938 1128396437 /nfs/dbraw/zinc/39/64/37/1128396437.db2.gz TUUQXVLFWQYKEZ-UXHICEINSA-N 1 1 336.435 3.535 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000785442656 1128459363 /nfs/dbraw/zinc/45/93/63/1128459363.db2.gz SNIPVJCBOILNSM-OAHLLOKOSA-N 1 1 331.460 3.683 20 30 EHEDMO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1ccc(C#N)cc1F ZINC000105642774 1128470434 /nfs/dbraw/zinc/47/04/34/1128470434.db2.gz FGOITHPEORLFJT-UHFFFAOYSA-N 1 1 348.425 3.849 20 30 EHEDMO CC(C)CN(Cc1ncc(C[NH+](C)C)s1)Cc1ccc(C#N)cc1 ZINC000347652157 1128517768 /nfs/dbraw/zinc/51/77/68/1128517768.db2.gz QJYDVTZYRHPWDO-UHFFFAOYSA-N 1 1 342.512 3.735 20 30 EHEDMO CC[N@@H+]1CC[C@H](Nc2ncccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301985428 1128614498 /nfs/dbraw/zinc/61/44/98/1128614498.db2.gz LREWXJVKCLMIOF-DLBZAZTESA-N 1 1 344.821 3.993 20 30 EHEDMO CC[N@H+]1CC[C@H](Nc2ncccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301985428 1128614501 /nfs/dbraw/zinc/61/45/01/1128614501.db2.gz LREWXJVKCLMIOF-DLBZAZTESA-N 1 1 344.821 3.993 20 30 EHEDMO Cc1cc(N2CCC(Nc3c(Cl)cccc3C#N)CC2)nc(C)[nH+]1 ZINC000301555805 1128596202 /nfs/dbraw/zinc/59/62/02/1128596202.db2.gz NGXKPFJGQGPXEL-UHFFFAOYSA-N 1 1 341.846 3.699 20 30 EHEDMO Cc1cc(C)c2ncc(C#N)c(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c2c1 ZINC000301655738 1128600704 /nfs/dbraw/zinc/60/07/04/1128600704.db2.gz AUWSECSKLCTTSQ-QFBILLFUSA-N 1 1 334.467 3.644 20 30 EHEDMO N#Cc1ccc2nc(N3CCC[N@@H+](Cc4ccccc4)CC3)ccc2c1 ZINC000301826501 1128606922 /nfs/dbraw/zinc/60/69/22/1128606922.db2.gz PDDNHSRYPAAUEE-UHFFFAOYSA-N 1 1 342.446 3.819 20 30 EHEDMO CC(=O)c1ccc(C#N)cc1NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000302081496 1128618808 /nfs/dbraw/zinc/61/88/08/1128618808.db2.gz CDAXRHVBFSZBFY-CYBMUJFWSA-N 1 1 339.464 3.681 20 30 EHEDMO CC(=O)c1ccc(C#N)cc1NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000302081496 1128618809 /nfs/dbraw/zinc/61/88/09/1128618809.db2.gz CDAXRHVBFSZBFY-CYBMUJFWSA-N 1 1 339.464 3.681 20 30 EHEDMO N#Cc1cc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000302210718 1128627041 /nfs/dbraw/zinc/62/70/41/1128627041.db2.gz YXXXPUNVSVDPHF-GOSISDBHSA-N 1 1 336.395 3.543 20 30 EHEDMO Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc1C#N ZINC000302839918 1128650529 /nfs/dbraw/zinc/65/05/29/1128650529.db2.gz ZSBNPUISNBRLGO-CRAIPNDOSA-N 1 1 344.821 3.912 20 30 EHEDMO Cc1ccc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc1C#N ZINC000302839918 1128650530 /nfs/dbraw/zinc/65/05/30/1128650530.db2.gz ZSBNPUISNBRLGO-CRAIPNDOSA-N 1 1 344.821 3.912 20 30 EHEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000303557156 1128682258 /nfs/dbraw/zinc/68/22/58/1128682258.db2.gz WKTATNVOMKELSS-CTNGQTDRSA-N 1 1 338.451 3.627 20 30 EHEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000156260870 1128718871 /nfs/dbraw/zinc/71/88/71/1128718871.db2.gz JJXRMXBCKYROMD-HNNXBMFYSA-N 1 1 349.356 3.539 20 30 EHEDMO CC[N@@H+](CC(=O)NCc1ccc(C)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477604 1128732991 /nfs/dbraw/zinc/73/29/91/1128732991.db2.gz HXINLPUKCNCNAI-QGZVFWFLSA-N 1 1 335.451 3.566 20 30 EHEDMO CCC1(CC)C[N@H+](Cc2ccccc2C(C)(C)C#N)CC[S@]1=O ZINC000185281639 1120406705 /nfs/dbraw/zinc/40/67/05/1120406705.db2.gz SWKSZESFCHHYPH-HSZRJFAPSA-N 1 1 332.513 3.611 20 30 EHEDMO CCC1(CC)C[N@@H+](Cc2ccccc2C(C)(C)C#N)CC[S@]1=O ZINC000185281639 1120406706 /nfs/dbraw/zinc/40/67/06/1120406706.db2.gz SWKSZESFCHHYPH-HSZRJFAPSA-N 1 1 332.513 3.611 20 30 EHEDMO CC(C)(C#N)CCC[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000494277084 1120522345 /nfs/dbraw/zinc/52/23/45/1120522345.db2.gz OAXZLDLVCAAUKS-UHFFFAOYSA-N 1 1 345.306 3.635 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000189341369 1120578901 /nfs/dbraw/zinc/57/89/01/1120578901.db2.gz RAIWWAQUFDRUPP-UTKZUKDTSA-N 1 1 330.435 3.502 20 30 EHEDMO Cc1[nH+]c(C=NNC(=S)Nc2cc(C)ccc2C)c2ccccn12 ZINC000914601638 1120917900 /nfs/dbraw/zinc/91/79/00/1120917900.db2.gz ZIUKROXDPCHMRC-UHFFFAOYSA-N 1 1 337.452 3.580 20 30 EHEDMO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]2C[N@@H+](CCC(C)(C)C#N)C[C@@H]21 ZINC000495151762 1120971923 /nfs/dbraw/zinc/97/19/23/1120971923.db2.gz BOSJGLUXOSMLSX-JYJNAYRXSA-N 1 1 335.492 3.551 20 30 EHEDMO N#Cc1cc2c(nc1N[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCCC2 ZINC000310748475 1128959008 /nfs/dbraw/zinc/95/90/08/1128959008.db2.gz HPIAPLJLSDWVLB-IBGZPJMESA-N 1 1 332.451 3.518 20 30 EHEDMO CC[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000915220017 1121256109 /nfs/dbraw/zinc/25/61/09/1121256109.db2.gz JOUHMNWGAVFGPG-SFHVURJKSA-N 1 1 327.472 3.672 20 30 EHEDMO CCN(CC)c1ccc(/C=[NH+]/C[C@H](C)N2CCCC[C@@H]2C)c(O)c1 ZINC000915271143 1121292000 /nfs/dbraw/zinc/29/20/00/1121292000.db2.gz LJAKIMZAWUKYMT-NXLNCYEBSA-N 1 1 331.504 3.920 20 30 EHEDMO CCOc1ccccc1N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000487959924 1121362591 /nfs/dbraw/zinc/36/25/91/1121362591.db2.gz SLFLYXKEXOWYMX-KRWDZBQOSA-N 1 1 335.451 3.840 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)cc1 ZINC000763236060 1121916651 /nfs/dbraw/zinc/91/66/51/1121916651.db2.gz PGYGCJARZKEGPH-AZUAARDMSA-N 1 1 340.854 3.952 20 30 EHEDMO C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648931139 1121928096 /nfs/dbraw/zinc/92/80/96/1121928096.db2.gz OTRQCQVPMCHHEA-WMZOPIPTSA-N 1 1 325.456 3.700 20 30 EHEDMO C[C@H]1CC2(C[N@H+]1CCCCC#N)CCN(C(=O)OC(C)(C)C)CC2 ZINC000496160549 1121976389 /nfs/dbraw/zinc/97/63/89/1121976389.db2.gz UKWIFNHDSBNJEA-INIZCTEOSA-N 1 1 335.492 3.792 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3c(F)cccc3F)CC2)cc1 ZINC000122840960 1122207513 /nfs/dbraw/zinc/20/75/13/1122207513.db2.gz CLJMOOJLMXHKQX-UHFFFAOYSA-N 1 1 341.405 3.544 20 30 EHEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000154103303 1122238065 /nfs/dbraw/zinc/23/80/65/1122238065.db2.gz YEZMRWAQUHUTMZ-INIZCTEOSA-N 1 1 334.423 3.683 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCC[N@H+]2CC2(C#N)CCC2)C1 ZINC000497036722 1122252887 /nfs/dbraw/zinc/25/28/87/1122252887.db2.gz IEHCXZQEXXHBID-DLBZAZTESA-N 1 1 347.503 3.792 20 30 EHEDMO CN(C)c1ccc(C[N@@H+](CCOc2cccc(C#N)c2)C2CC2)cc1 ZINC000917074829 1122472213 /nfs/dbraw/zinc/47/22/13/1122472213.db2.gz HNZUXSQEVPVCCX-UHFFFAOYSA-N 1 1 335.451 3.668 20 30 EHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](CC)Cc1cccc(F)c1 ZINC000497726734 1122648454 /nfs/dbraw/zinc/64/84/54/1122648454.db2.gz DTGVFCYQNRDBKZ-HXUWFJFHSA-N 1 1 343.442 3.816 20 30 EHEDMO C=CCc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c(O)c(OC)c1 ZINC000918066558 1122744678 /nfs/dbraw/zinc/74/46/78/1122744678.db2.gz CDOVIIZKJDQVFM-UHFFFAOYSA-N 1 1 340.467 3.827 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](CCO)C1CCCCC1 ZINC000071089217 1122953334 /nfs/dbraw/zinc/95/33/34/1122953334.db2.gz FSRXZOXJKGVXGC-UHFFFAOYSA-N 1 1 348.512 3.530 20 30 EHEDMO COc1ccc([C@H](CN(C)C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000556601485 1123057322 /nfs/dbraw/zinc/05/73/22/1123057322.db2.gz NJCIOEIUUQJBCC-XOBRGWDASA-N 1 1 341.430 3.659 20 30 EHEDMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000499632631 1129121855 /nfs/dbraw/zinc/12/18/55/1129121855.db2.gz RPTXLMQPKCTSEB-IBGZPJMESA-N 1 1 341.499 3.688 20 30 EHEDMO Cc1cccc2c1ncc(C#N)c2N1CCC[N@H+](C2CCCC2)CC1 ZINC000078295233 1129128304 /nfs/dbraw/zinc/12/83/04/1129128304.db2.gz RIAGRITXHUSUPI-UHFFFAOYSA-N 1 1 334.467 3.870 20 30 EHEDMO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)cc1 ZINC000135096788 1123582427 /nfs/dbraw/zinc/58/24/27/1123582427.db2.gz JLRHELWITBZNOA-UHFFFAOYSA-N 1 1 335.451 3.867 20 30 EHEDMO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2C(C)(C)C#N)cc1 ZINC000135096788 1123582432 /nfs/dbraw/zinc/58/24/32/1123582432.db2.gz JLRHELWITBZNOA-UHFFFAOYSA-N 1 1 335.451 3.867 20 30 EHEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000135215298 1123591772 /nfs/dbraw/zinc/59/17/72/1123591772.db2.gz KVSRPMUHINUSBM-FQEVSTJZSA-N 1 1 347.462 3.725 20 30 EHEDMO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000609538940 1123606968 /nfs/dbraw/zinc/60/69/68/1123606968.db2.gz PIURTBKGIDOALB-PBHICJAKSA-N 1 1 337.414 3.515 20 30 EHEDMO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000609549708 1123612481 /nfs/dbraw/zinc/61/24/81/1123612481.db2.gz DJAPPMNSRUWUSD-HXUWFJFHSA-N 1 1 349.434 3.560 20 30 EHEDMO C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000609549708 1123612485 /nfs/dbraw/zinc/61/24/85/1123612485.db2.gz DJAPPMNSRUWUSD-HXUWFJFHSA-N 1 1 349.434 3.560 20 30 EHEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000609625644 1123628079 /nfs/dbraw/zinc/62/80/79/1123628079.db2.gz HFNGJGOCKUVEOK-QGZVFWFLSA-N 1 1 339.464 3.958 20 30 EHEDMO CC[C@H]1c2ccccc2CC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000609625761 1123628104 /nfs/dbraw/zinc/62/81/04/1123628104.db2.gz ZBDKIUSAAAQIFO-NRFANRHFSA-N 1 1 347.462 3.943 20 30 EHEDMO CC[C@H]1c2ccccc2CC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000609625761 1123628106 /nfs/dbraw/zinc/62/81/06/1123628106.db2.gz ZBDKIUSAAAQIFO-NRFANRHFSA-N 1 1 347.462 3.943 20 30 EHEDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000609985343 1123705335 /nfs/dbraw/zinc/70/53/35/1123705335.db2.gz GCSQUCKEGLWBIB-FQEVSTJZSA-N 1 1 348.450 3.516 20 30 EHEDMO C=CCN(Cc1ccccc1F)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000615672528 1123853205 /nfs/dbraw/zinc/85/32/05/1123853205.db2.gz YDWYZBQKTSEUOS-DLBZAZTESA-N 1 1 347.478 3.786 20 30 EHEDMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c(C#N)c1C ZINC000114494762 1129152497 /nfs/dbraw/zinc/15/24/97/1129152497.db2.gz ORKHHDPVYVXPCM-IBGZPJMESA-N 1 1 327.428 3.529 20 30 EHEDMO Cc1oc(NC(=O)C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c(C#N)c1C ZINC000114494762 1129152501 /nfs/dbraw/zinc/15/25/01/1129152501.db2.gz ORKHHDPVYVXPCM-IBGZPJMESA-N 1 1 327.428 3.529 20 30 EHEDMO COCc1ccc([C@@H]2CCC[N@H+]2CCCOc2ccc(C#N)cc2)o1 ZINC000130815636 1123914228 /nfs/dbraw/zinc/91/42/28/1123914228.db2.gz RLGPJJZUXJKAGU-IBGZPJMESA-N 1 1 340.423 3.904 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000246046314 1124006596 /nfs/dbraw/zinc/00/65/96/1124006596.db2.gz PMRIUUHXRMHBRO-LPHOPBHVSA-N 1 1 345.487 3.836 20 30 EHEDMO CC[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000246330735 1124089360 /nfs/dbraw/zinc/08/93/60/1124089360.db2.gz XTSMZHLXFWBEAE-CABCVRRESA-N 1 1 331.485 3.751 20 30 EHEDMO COc1cc([C@H](C)[NH2+]Cc2ccc(Br)cc2C#N)ccn1 ZINC000347688356 1129167424 /nfs/dbraw/zinc/16/74/24/1129167424.db2.gz VBHMHVCRYRRUBZ-NSHDSACASA-N 1 1 346.228 3.575 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000246549439 1124508861 /nfs/dbraw/zinc/50/88/61/1124508861.db2.gz KHSGSNPMSVIWCT-IEBWSBKVSA-N 1 1 342.487 3.595 20 30 EHEDMO C=CC[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC)c1ccncc1 ZINC000734668461 1131266916 /nfs/dbraw/zinc/26/69/16/1131266916.db2.gz GPHORTHANSFQBV-RBUKOAKNSA-N 1 1 344.503 3.653 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)c(F)c2Cl)no1 ZINC001212325116 1124665146 /nfs/dbraw/zinc/66/51/46/1124665146.db2.gz IWCPWYTXQZLMBU-JTQLQIEISA-N 1 1 328.174 3.986 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000763493233 1124734360 /nfs/dbraw/zinc/73/43/60/1124734360.db2.gz SFSIHQVCFLXXIO-DENIHFKCSA-N 1 1 345.446 3.953 20 30 EHEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000324857266 1124814458 /nfs/dbraw/zinc/81/44/58/1124814458.db2.gz GSMLCTZEJOPFDI-KBXCAEBGSA-N 1 1 344.842 3.644 20 30 EHEDMO C[C@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000181518781 1124909246 /nfs/dbraw/zinc/90/92/46/1124909246.db2.gz FWCGQIRDZVRJHR-OXJNMPFZSA-N 1 1 329.488 3.750 20 30 EHEDMO C=CC[C@H]1[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCCC1(C)C ZINC000618327856 1125046710 /nfs/dbraw/zinc/04/67/10/1125046710.db2.gz WLCNYJXJKFFKIT-UYAOXDASSA-N 1 1 342.483 3.559 20 30 EHEDMO N#CC1(CCC[N@H+]2CCCO[C@@H](c3ccccc3)C2)CCOCC1 ZINC000619620198 1125374823 /nfs/dbraw/zinc/37/48/23/1125374823.db2.gz LLOPLJHJKQBDPV-LJQANCHMSA-N 1 1 328.456 3.551 20 30 EHEDMO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2cncnc2)cc1Cl ZINC000619754523 1125395450 /nfs/dbraw/zinc/39/54/50/1125395450.db2.gz BYMXXPQTBHYWQY-IBGZPJMESA-N 1 1 334.810 3.881 20 30 EHEDMO N#Cc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000619748975 1125400884 /nfs/dbraw/zinc/40/08/84/1125400884.db2.gz ZWJJRUKAAVJXLK-UHFFFAOYSA-N 1 1 339.870 3.966 20 30 EHEDMO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000079774289 1129295433 /nfs/dbraw/zinc/29/54/33/1129295433.db2.gz VNTNKVQRLXNGSQ-UZLBHIALSA-N 1 1 348.450 3.733 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000543206050 1129335922 /nfs/dbraw/zinc/33/59/22/1129335922.db2.gz LFGGYZJVDREXLT-NQIIRXRSSA-N 1 1 325.500 3.839 20 30 EHEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)[C@H](C)c1cccc(O)c1 ZINC000080932226 1129388604 /nfs/dbraw/zinc/38/86/04/1129388604.db2.gz DXKPHWTUXOTJOC-OAHLLOKOSA-N 1 1 340.423 3.734 20 30 EHEDMO C=CC[C@@H](CC)NC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000466375988 1129409116 /nfs/dbraw/zinc/40/91/16/1129409116.db2.gz BNJCFAMSTCCGQJ-MOPGFXCFSA-N 1 1 329.488 3.647 20 30 EHEDMO C[C@H](c1ccco1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000069067395 1129420754 /nfs/dbraw/zinc/42/07/54/1129420754.db2.gz NOJMNVSYKUJILF-GFCCVEGCSA-N 1 1 331.803 3.826 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172971903 1129478415 /nfs/dbraw/zinc/47/84/15/1129478415.db2.gz NEVZPUOVHLMMAV-KFWWJZLASA-N 1 1 343.496 3.607 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172971903 1129478418 /nfs/dbraw/zinc/47/84/18/1129478418.db2.gz NEVZPUOVHLMMAV-KFWWJZLASA-N 1 1 343.496 3.607 20 30 EHEDMO COCC[N@H+](Cc1cnc(CC(C)C)s1)Cc1ccc(C#N)cc1 ZINC000092568019 1129552524 /nfs/dbraw/zinc/55/25/24/1129552524.db2.gz MDBRZMXGODXUOT-UHFFFAOYSA-N 1 1 343.496 3.862 20 30 EHEDMO COCC[N@@H+](Cc1cnc(CC(C)C)s1)Cc1ccc(C#N)cc1 ZINC000092568019 1129552526 /nfs/dbraw/zinc/55/25/26/1129552526.db2.gz MDBRZMXGODXUOT-UHFFFAOYSA-N 1 1 343.496 3.862 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000125005283 1129652722 /nfs/dbraw/zinc/65/27/22/1129652722.db2.gz ZWYHZUXMLBWXJS-GOSISDBHSA-N 1 1 347.462 3.603 20 30 EHEDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000392073032 1129700749 /nfs/dbraw/zinc/70/07/49/1129700749.db2.gz BLNLGQFASIEIME-RDTXWAMCSA-N 1 1 344.842 3.644 20 30 EHEDMO CC[N@@H+](CC(=O)N(CC(C)C)C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125748534 1129713182 /nfs/dbraw/zinc/71/31/82/1129713182.db2.gz HSRPIOFUZSDUQH-INIZCTEOSA-N 1 1 327.472 3.588 20 30 EHEDMO C=CCOc1ccc(C[N@H+](C[C@@H](O)CC2(O)CCC2)C(C)(C)C)cc1 ZINC000625217373 1129767174 /nfs/dbraw/zinc/76/71/74/1129767174.db2.gz GJHVRFATNHDLSQ-SFHVURJKSA-N 1 1 347.499 3.518 20 30 EHEDMO CCCC[C@@H](CC)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000073970087 1129870250 /nfs/dbraw/zinc/87/02/50/1129870250.db2.gz DEFCZGHXYHRGIS-HXUWFJFHSA-N 1 1 341.499 3.809 20 30 EHEDMO CCCC[C@@H](CC)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000073970087 1129870254 /nfs/dbraw/zinc/87/02/54/1129870254.db2.gz DEFCZGHXYHRGIS-HXUWFJFHSA-N 1 1 341.499 3.809 20 30 EHEDMO COC(=O)c1occc1C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000347883225 1129976424 /nfs/dbraw/zinc/97/64/24/1129976424.db2.gz KCMUENIPIHYLHI-UHFFFAOYSA-N 1 1 346.386 3.895 20 30 EHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000674276305 1130055977 /nfs/dbraw/zinc/05/59/77/1130055977.db2.gz OWDGLRFYVAFQHN-DOTOQJQBSA-N 1 1 343.492 3.836 20 30 EHEDMO CC(C)Cn1ccnc1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000174454652 1130360467 /nfs/dbraw/zinc/36/04/67/1130360467.db2.gz NGOSKVLSONGQDN-UHFFFAOYSA-N 1 1 326.444 3.511 20 30 EHEDMO CC[N@H+](Cc1cccc(C#N)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174485853 1130362609 /nfs/dbraw/zinc/36/26/09/1130362609.db2.gz OBVFSEMJSABTCA-JOCHJYFZSA-N 1 1 333.479 3.902 20 30 EHEDMO CC[NH+](Cc1cccc(C#N)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174485853 1130362615 /nfs/dbraw/zinc/36/26/15/1130362615.db2.gz OBVFSEMJSABTCA-JOCHJYFZSA-N 1 1 333.479 3.902 20 30 EHEDMO CC[NH+](Cc1cccc(C#N)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174485853 1130362619 /nfs/dbraw/zinc/36/26/19/1130362619.db2.gz OBVFSEMJSABTCA-JOCHJYFZSA-N 1 1 333.479 3.902 20 30 EHEDMO CC[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000174485853 1130362622 /nfs/dbraw/zinc/36/26/22/1130362622.db2.gz OBVFSEMJSABTCA-JOCHJYFZSA-N 1 1 333.479 3.902 20 30 EHEDMO CC[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000174485853 1130362628 /nfs/dbraw/zinc/36/26/28/1130362628.db2.gz OBVFSEMJSABTCA-JOCHJYFZSA-N 1 1 333.479 3.902 20 30 EHEDMO CCN(Cc1cccc(C#N)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174485853 1130362630 /nfs/dbraw/zinc/36/26/30/1130362630.db2.gz OBVFSEMJSABTCA-JOCHJYFZSA-N 1 1 333.479 3.902 20 30 EHEDMO CCN(Cc1cccc(C#N)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174485853 1130362637 /nfs/dbraw/zinc/36/26/37/1130362637.db2.gz OBVFSEMJSABTCA-JOCHJYFZSA-N 1 1 333.479 3.902 20 30 EHEDMO C#CCC(C)(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC000804128907 1130558520 /nfs/dbraw/zinc/55/85/20/1130558520.db2.gz UTXZSFFRYPRNIY-KRWDZBQOSA-N 1 1 334.891 3.889 20 30 EHEDMO COCCC[N@@H+]1Cc2cccc(N=Cc3c(O)cccc3OC)c2C1 ZINC000727973269 1130615645 /nfs/dbraw/zinc/61/56/45/1130615645.db2.gz XEBJWPQTRDJQPN-UHFFFAOYSA-N 1 1 340.423 3.504 20 30 EHEDMO COCCC[N@H+]1Cc2cccc(N=Cc3c(O)cccc3OC)c2C1 ZINC000727973269 1130615649 /nfs/dbraw/zinc/61/56/49/1130615649.db2.gz XEBJWPQTRDJQPN-UHFFFAOYSA-N 1 1 340.423 3.504 20 30 EHEDMO N#CCCNC(=O)C[N@@H+](Cc1cccc2ccccc21)C1CCCC1 ZINC000728055953 1130622804 /nfs/dbraw/zinc/62/28/04/1130622804.db2.gz SPDJHXVVGZLWNQ-UHFFFAOYSA-N 1 1 335.451 3.614 20 30 EHEDMO CCCCCC[N@@H+](C)CC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000731894529 1130858277 /nfs/dbraw/zinc/85/82/77/1130858277.db2.gz WIGROXPVBPDAGI-UHFFFAOYSA-N 1 1 349.478 3.932 20 30 EHEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(OCC#N)cc1)CCC2 ZINC000732214982 1130899308 /nfs/dbraw/zinc/89/93/08/1130899308.db2.gz ZIZWAKBLICOZCL-KRWDZBQOSA-N 1 1 327.453 3.863 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CCC1N=Nc1ccc2ccccc2n1 ZINC000734361353 1131224926 /nfs/dbraw/zinc/22/49/26/1131224926.db2.gz BHYIEZNXTDJIFM-INIZCTEOSA-N 1 1 345.450 3.940 20 30 EHEDMO C#CC[N@@H+](Cc1ccc(Br)cn1)[C@H]1CCc2ccccc21 ZINC000738306208 1131467347 /nfs/dbraw/zinc/46/73/47/1131467347.db2.gz SWPBGUHNAJBSRS-SFHVURJKSA-N 1 1 341.252 3.967 20 30 EHEDMO C#CC[N@H+](Cc1ccc(Br)cn1)[C@H]1CCc2ccccc21 ZINC000738306208 1131467348 /nfs/dbraw/zinc/46/73/48/1131467348.db2.gz SWPBGUHNAJBSRS-SFHVURJKSA-N 1 1 341.252 3.967 20 30 EHEDMO CCC1CCC([N@@H+](C)Cn2c(C)nnc2-c2cccc(C#N)c2)CC1 ZINC000739840276 1131514223 /nfs/dbraw/zinc/51/42/23/1131514223.db2.gz IKVLJBFEDNPCGF-UHFFFAOYSA-N 1 1 337.471 3.983 20 30 EHEDMO CC(C)C[N@H+](CCC#N)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000739913672 1131516505 /nfs/dbraw/zinc/51/65/05/1131516505.db2.gz DOGPBIAKWLOOMH-UHFFFAOYSA-N 1 1 339.439 3.581 20 30 EHEDMO CC(C)C[N@@H+](CCC#N)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000739913672 1131516509 /nfs/dbraw/zinc/51/65/09/1131516509.db2.gz DOGPBIAKWLOOMH-UHFFFAOYSA-N 1 1 339.439 3.581 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000739915476 1131516634 /nfs/dbraw/zinc/51/66/34/1131516634.db2.gz PLUPBVLTYLGSOJ-CTNGQTDRSA-N 1 1 348.446 3.727 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000739915476 1131516638 /nfs/dbraw/zinc/51/66/38/1131516638.db2.gz PLUPBVLTYLGSOJ-CTNGQTDRSA-N 1 1 348.446 3.727 20 30 EHEDMO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(Br)cc2F)c1 ZINC000742381751 1131713233 /nfs/dbraw/zinc/71/32/33/1131713233.db2.gz HNMFZXMFXADVJL-UHFFFAOYSA-N 1 1 337.167 3.889 20 30 EHEDMO C[C@H](CCCC#N)[N@H+]1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC001172494479 1131757183 /nfs/dbraw/zinc/75/71/83/1131757183.db2.gz HIZVOSHVUXJGAG-OAHLLOKOSA-N 1 1 338.430 3.766 20 30 EHEDMO C[C@@H](CCCC#N)[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC(C)(C)C ZINC001172509551 1131763188 /nfs/dbraw/zinc/76/31/88/1131763188.db2.gz MEWAJJUQQMVOKV-YJBOKZPZSA-N 1 1 328.456 3.837 20 30 EHEDMO C[C@@H](CCCC#N)[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC(C)(C)C ZINC001172509551 1131763192 /nfs/dbraw/zinc/76/31/92/1131763192.db2.gz MEWAJJUQQMVOKV-YJBOKZPZSA-N 1 1 328.456 3.837 20 30 EHEDMO COc1ccc(O)c(/C=N\[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000743044374 1131842404 /nfs/dbraw/zinc/84/24/04/1131842404.db2.gz IJQLAZSVQGJATO-GFHXCNCHSA-N 1 1 335.407 3.537 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCC[C@@H]3CCC[C@H]32)C[C@H]1C#N ZINC001172991037 1131937083 /nfs/dbraw/zinc/93/70/83/1131937083.db2.gz KGNXLBODZKLEFG-LUKYLMHMSA-N 1 1 333.476 3.543 20 30 EHEDMO C[C@H]1CC[C@@H]([N@@H+](CCC#N)C2CCCC2)CN1C(=O)OC(C)(C)C ZINC001173067554 1131954170 /nfs/dbraw/zinc/95/41/70/1131954170.db2.gz BRKCWCUWHWUFMS-DOTOQJQBSA-N 1 1 335.492 3.933 20 30 EHEDMO C=CCOC1CCC([N@@H+]2CCC[C@](O)(C(F)(F)F)[C@H](C)C2)CC1 ZINC001173322217 1132045731 /nfs/dbraw/zinc/04/57/31/1132045731.db2.gz YXRUPKNDXHCXOL-PRLABOORSA-N 1 1 335.410 3.526 20 30 EHEDMO C=CCOC1CCC([N@H+]2CCC[C@]3(CCCC(=O)N3CC=C)C2)CC1 ZINC001173324266 1132046952 /nfs/dbraw/zinc/04/69/52/1132046952.db2.gz MCLDHVNPJMDVTK-GZNCHQMQSA-N 1 1 346.515 3.533 20 30 EHEDMO C=CCOC1CCC([N@H+]2CCc3ncc(C(F)(F)F)cc3C2)CC1 ZINC001173327845 1132048082 /nfs/dbraw/zinc/04/80/82/1132048082.db2.gz UDGYBLVQFCGHST-UHFFFAOYSA-N 1 1 340.389 3.972 20 30 EHEDMO C=CCOC1CCC([N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)CC1 ZINC001173325399 1132048347 /nfs/dbraw/zinc/04/83/47/1132048347.db2.gz LHXBPTDUVZGUAL-FWGXRIOKSA-N 1 1 326.484 3.568 20 30 EHEDMO CSCC[C@H]([NH2+]C1CCC(CC#N)CC1)C(=O)OC(C)(C)C ZINC001173330201 1132049195 /nfs/dbraw/zinc/04/91/95/1132049195.db2.gz YHUPVRGVNHZCQN-NRXISQOPSA-N 1 1 326.506 3.512 20 30 EHEDMO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3C2CCC(CC#N)CC2)o1 ZINC001173335222 1132052199 /nfs/dbraw/zinc/05/21/99/1132052199.db2.gz DCTNNDFSIOWUMJ-ZYKFHVCXSA-N 1 1 327.472 3.709 20 30 EHEDMO COC(=O)CCCC[C@H](C)[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001173456309 1132082031 /nfs/dbraw/zinc/08/20/31/1132082031.db2.gz BSGNYJWJHYMNPK-LPHOPBHVSA-N 1 1 344.455 3.523 20 30 EHEDMO C#CC[N@H+](CCC(=O)Nc1cccc(F)c1C)Cc1ccc(F)cc1 ZINC000744390387 1132083015 /nfs/dbraw/zinc/08/30/15/1132083015.db2.gz FXCTZGAPMQVIBH-UHFFFAOYSA-N 1 1 342.389 3.737 20 30 EHEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000744405303 1132089924 /nfs/dbraw/zinc/08/99/24/1132089924.db2.gz GZYVOJPVMDKNSI-KRWDZBQOSA-N 1 1 337.508 3.895 20 30 EHEDMO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173592062 1132098063 /nfs/dbraw/zinc/09/80/63/1132098063.db2.gz DUNRLYWPHMZQOA-PPSBMQLTSA-N 1 1 335.492 3.838 20 30 EHEDMO COC(=O)[C@H]1CC[N@H+](C2CCC(C)(C#N)CC2)[C@H]1c1ccccc1 ZINC001173597423 1132101148 /nfs/dbraw/zinc/10/11/48/1132101148.db2.gz SQKIPCSOCNIABE-NRGCRIOASA-N 1 1 326.440 3.695 20 30 EHEDMO CC1(C#N)CCC([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173601428 1132101851 /nfs/dbraw/zinc/10/18/51/1132101851.db2.gz SYJNKYSXGUYCJC-PHZLKFDYSA-N 1 1 337.511 3.913 20 30 EHEDMO CC1(C#N)CCC(N2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173601428 1132101855 /nfs/dbraw/zinc/10/18/55/1132101855.db2.gz SYJNKYSXGUYCJC-PHZLKFDYSA-N 1 1 337.511 3.913 20 30 EHEDMO CC1(C#N)CCC(N2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173601428 1132101860 /nfs/dbraw/zinc/10/18/60/1132101860.db2.gz SYJNKYSXGUYCJC-PHZLKFDYSA-N 1 1 337.511 3.913 20 30 EHEDMO CC1(C#N)CCC([N@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC001173599163 1132102154 /nfs/dbraw/zinc/10/21/54/1132102154.db2.gz HIDXNSQIEDSCRS-UHFFFAOYSA-N 1 1 329.463 3.806 20 30 EHEDMO C=C(C)C[N@H+](CC)C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173785544 1132147428 /nfs/dbraw/zinc/14/74/28/1132147428.db2.gz WEPHYDQLBZZJJQ-UHFFFAOYSA-N 1 1 338.854 3.982 20 30 EHEDMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000746468469 1132549733 /nfs/dbraw/zinc/54/97/33/1132549733.db2.gz COSGQSVUVRNUSB-LJQANCHMSA-N 1 1 344.474 3.586 20 30 EHEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CC2([C@@H]3CCCCO3)CCC2)C1 ZINC001175210523 1132595377 /nfs/dbraw/zinc/59/53/77/1132595377.db2.gz APFMYUMSKVPNCX-FPOVZHCZSA-N 1 1 339.483 3.678 20 30 EHEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CC2([C@@H]3CCCCO3)CCC2)C1 ZINC001175210523 1132595380 /nfs/dbraw/zinc/59/53/80/1132595380.db2.gz APFMYUMSKVPNCX-FPOVZHCZSA-N 1 1 339.483 3.678 20 30 EHEDMO COc1cc(C#N)c(F)cc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175506745 1132694925 /nfs/dbraw/zinc/69/49/25/1132694925.db2.gz LADSCPNRKXKGEQ-UHFFFAOYSA-N 1 1 337.398 3.908 20 30 EHEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(OC)c(OC[C@@H](C)CC)cc1[N+](=O)[O-] ZINC001169243659 1132708110 /nfs/dbraw/zinc/70/81/10/1132708110.db2.gz SCXQPEJYVWIJDT-AWEZNQCLSA-N 1 1 348.443 3.872 20 30 EHEDMO C#CC(C)(C)[N@H+](C)Cc1cc(OC)c(OC[C@@H](C)CC)cc1[N+](=O)[O-] ZINC001169243659 1132708114 /nfs/dbraw/zinc/70/81/14/1132708114.db2.gz SCXQPEJYVWIJDT-AWEZNQCLSA-N 1 1 348.443 3.872 20 30 EHEDMO Cc1cc(C#N)c(Nc2cccc(C[NH+]3CCOCC3)c2)cc1F ZINC001175862607 1132787359 /nfs/dbraw/zinc/78/73/59/1132787359.db2.gz FZXXHUWLGSMUCQ-UHFFFAOYSA-N 1 1 325.387 3.582 20 30 EHEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1CCCN(C(=O)OCC)CC1 ZINC001169702550 1132827312 /nfs/dbraw/zinc/82/73/12/1132827312.db2.gz GOYYYTHLIUUEOO-UYAOXDASSA-N 1 1 340.467 3.620 20 30 EHEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC001176069642 1132827818 /nfs/dbraw/zinc/82/78/18/1132827818.db2.gz JYOPBLYLQZOFTK-NWDGAFQWSA-N 1 1 325.239 3.666 20 30 EHEDMO C=CCc1cc(C)c[nH+]c1NC[C@@H]1CC(=O)Nc2cc(OC)ccc21 ZINC001169912947 1132898585 /nfs/dbraw/zinc/89/85/85/1132898585.db2.gz MUEFIUGTKMZYNF-HNNXBMFYSA-N 1 1 337.423 3.665 20 30 EHEDMO C[C@H](CNc1nc(Cl)c(C#N)s1)[N@H+]1CCc2ccccc2C1 ZINC000804344801 1132922404 /nfs/dbraw/zinc/92/24/04/1132922404.db2.gz FEVYYLBVBVQUSG-LLVKDONJSA-N 1 1 332.860 3.527 20 30 EHEDMO C=CCN1CCC([NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC001177683832 1133091467 /nfs/dbraw/zinc/09/14/67/1133091467.db2.gz WZNXXAKAVCGGNV-UHFFFAOYSA-N 1 1 343.696 3.843 20 30 EHEDMO C[C@H]1C[C@H](Nc2cccc(OCC#N)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000768519390 1133148922 /nfs/dbraw/zinc/14/89/22/1133148922.db2.gz OBSWDBKLXSLOQJ-PXNSSMCTSA-N 1 1 335.451 3.911 20 30 EHEDMO COc1cc(C[N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)cc(OC)c1 ZINC000768537170 1133152151 /nfs/dbraw/zinc/15/21/51/1133152151.db2.gz OYWDRKBKXGFWCW-OAHLLOKOSA-N 1 1 340.423 3.627 20 30 EHEDMO C=CCn1cc(C[NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)nn1 ZINC001178986489 1133218963 /nfs/dbraw/zinc/21/89/63/1133218963.db2.gz MTDPYWYWSHIKCL-UHFFFAOYSA-N 1 1 338.386 3.685 20 30 EHEDMO CC1(C)C[C@@H](NCc2ccc(CC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC001179028025 1133224075 /nfs/dbraw/zinc/22/40/75/1133224075.db2.gz IIZBMJQICJOZLU-OAQYLSRUSA-N 1 1 333.479 3.895 20 30 EHEDMO CC1(C)C[C@@H](NCc2ccc(CC#N)cc2)C[N@H+]1Cc1ccccc1 ZINC001179028025 1133224080 /nfs/dbraw/zinc/22/40/80/1133224080.db2.gz IIZBMJQICJOZLU-OAQYLSRUSA-N 1 1 333.479 3.895 20 30 EHEDMO C=CCOc1cccc(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000769400969 1133276058 /nfs/dbraw/zinc/27/60/58/1133276058.db2.gz BOSCQFUJBPKPIN-OAHLLOKOSA-N 1 1 334.460 3.596 20 30 EHEDMO C#CCCOc1ccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000769422519 1133281360 /nfs/dbraw/zinc/28/13/60/1133281360.db2.gz BXJNIHDHUNNGAH-JOCHJYFZSA-N 1 1 335.447 3.571 20 30 EHEDMO C#CCOc1cccc(Cl)c1CNc1[nH+]c2ccc(F)cc2n1C ZINC001179810699 1133285984 /nfs/dbraw/zinc/28/59/84/1133285984.db2.gz PHVSIPDKMHQYCY-UHFFFAOYSA-N 1 1 343.789 3.990 20 30 EHEDMO CC[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000769483810 1133289614 /nfs/dbraw/zinc/28/96/14/1133289614.db2.gz JCDMYCWNIVWLQQ-GOEBONIOSA-N 1 1 349.500 3.745 20 30 EHEDMO CC[C@H]1C[N@@H+](CC(C)(C)CCC#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769485315 1133290246 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Cc1cccc(F)c1N=NC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000769827687 1133353301 /nfs/dbraw/zinc/35/33/01/1133353301.db2.gz HRHBXIHRJRNGES-LJQANCHMSA-N 1 1 341.430 3.823 20 30 EHEDMO C#CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 ZINC000770707967 1133464210 /nfs/dbraw/zinc/46/42/10/1133464210.db2.gz DBGPWKQOJHPDKA-LJQANCHMSA-N 1 1 345.389 3.847 20 30 EHEDMO N#CC1(CC(=O)Nc2ccnc(-c3cc(N)cc[nH+]3)c2)CCCCC1 ZINC001181345729 1133482070 /nfs/dbraw/zinc/48/20/70/1133482070.db2.gz SFVHZURRQQWJHO-UHFFFAOYSA-N 1 1 335.411 3.528 20 30 EHEDMO C#CC[C@@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3n2C)C1 ZINC000829810900 1133501841 /nfs/dbraw/zinc/50/18/41/1133501841.db2.gz VXSFSPFVTHOORL-CYBMUJFWSA-N 1 1 346.272 3.571 20 30 EHEDMO CC(C)C[C@H](C#N)NC(=O)[C@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC001182242967 1133599647 /nfs/dbraw/zinc/59/96/47/1133599647.db2.gz DEYYUASDMONZFT-RTWAWAEBSA-N 1 1 349.478 3.914 20 30 EHEDMO CC(C)C[C@H](C#N)NC(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC001182242967 1133599649 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DGYOSNPUJJLQQC-OXQOHEQNSA-N 1 1 348.446 3.856 20 30 EHEDMO C#CC[N@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)C(C)(C)C ZINC001197929461 1135752263 /nfs/dbraw/zinc/75/22/63/1135752263.db2.gz IBNRIPXGCIXREU-FQEVSTJZSA-N 1 1 332.296 3.835 20 30 EHEDMO C#C[C@@H]([NH2+]CC(=O)Nc1c(C(C)C)cccc1C(C)C)[C@@H]1CCCO1 ZINC000775794699 1135755035 /nfs/dbraw/zinc/75/50/35/1135755035.db2.gz JMKGBYPYFOGQAS-MOPGFXCFSA-N 1 1 342.483 3.642 20 30 EHEDMO COc1ccc(C[N@H+](CCCO)Cc2ccc(C#N)cc2Cl)cc1 ZINC001198516687 1135829780 /nfs/dbraw/zinc/82/97/80/1135829780.db2.gz ASUVCGYRGGUAEV-UHFFFAOYSA-N 1 1 344.842 3.605 20 30 EHEDMO COc1ccc(C[N@@H+](CCCO)Cc2ccc(C#N)cc2Cl)cc1 ZINC001198516687 1135829784 /nfs/dbraw/zinc/82/97/84/1135829784.db2.gz ASUVCGYRGGUAEV-UHFFFAOYSA-N 1 1 344.842 3.605 20 30 EHEDMO C[C@H]1CSCCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001198518063 1135830220 /nfs/dbraw/zinc/83/02/20/1135830220.db2.gz VSDYLKYNWVRMBW-ZDUSSCGKSA-N 1 1 329.387 3.764 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC000809548995 1135855471 /nfs/dbraw/zinc/85/54/71/1135855471.db2.gz DNNHBFNOBBPDTL-IBGZPJMESA-N 1 1 342.483 3.747 20 30 EHEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000775895310 1135861319 /nfs/dbraw/zinc/86/13/19/1135861319.db2.gz MAMGNZLSKDACEX-QFIPXVFZSA-N 1 1 348.446 3.849 20 30 EHEDMO CCC[N@H+](CCN1CCCCC1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809704486 1135875239 /nfs/dbraw/zinc/87/52/39/1135875239.db2.gz AVGIBHJEXMFFFE-SFHVURJKSA-N 1 1 329.488 3.675 20 30 EHEDMO CCC[N@@H+](CCN1CCCCC1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809704486 1135875241 /nfs/dbraw/zinc/87/52/41/1135875241.db2.gz AVGIBHJEXMFFFE-SFHVURJKSA-N 1 1 329.488 3.675 20 30 EHEDMO C#C[C@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)C(C)(C)C ZINC000809781008 1135890481 /nfs/dbraw/zinc/89/04/81/1135890481.db2.gz FAHRTSZBSVEHAA-INIZCTEOSA-N 1 1 328.437 3.676 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)CCn2ccc3cc(Cl)ccc32)n1 ZINC000809998528 1135912204 /nfs/dbraw/zinc/91/22/04/1135912204.db2.gz RCNYYWANJKZLHL-UHFFFAOYSA-N 1 1 340.858 3.647 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)CCn2ccc3cc(Cl)ccc32)n1 ZINC000809998528 1135912206 /nfs/dbraw/zinc/91/22/06/1135912206.db2.gz RCNYYWANJKZLHL-UHFFFAOYSA-N 1 1 340.858 3.647 20 30 EHEDMO CCCC[C@@H](C)[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000810125340 1135924181 /nfs/dbraw/zinc/92/41/81/1135924181.db2.gz ULXBCDXMKIZHCZ-ZBFHGGJFSA-N 1 1 336.439 3.734 20 30 EHEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000810147988 1135931195 /nfs/dbraw/zinc/93/11/95/1135931195.db2.gz UIEXQFHABBTPPF-XLKFXECMSA-N 1 1 342.251 3.533 20 30 EHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN=Nc1cncc(Cl)n1 ZINC000747630544 1136005218 /nfs/dbraw/zinc/00/52/18/1136005218.db2.gz WALIVFLSFSBTKB-UHFFFAOYSA-N 1 1 331.851 3.686 20 30 EHEDMO N#Cc1cc(F)ccc1NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001201432590 1136020193 /nfs/dbraw/zinc/02/01/93/1136020193.db2.gz PFQJFUQFUDPUGV-KRWDZBQOSA-N 1 1 344.434 3.616 20 30 EHEDMO N#CCC[C@@H]([NH2+]Cc1ccc(Br)nc1)c1ccccc1 ZINC001201558619 1136040000 /nfs/dbraw/zinc/04/00/00/1136040000.db2.gz SSBUQQPISSLTPL-OAHLLOKOSA-N 1 1 330.229 3.979 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1csc(C)n1 ZINC001201762337 1136060900 /nfs/dbraw/zinc/06/09/00/1136060900.db2.gz GTBNLZDROPDTIU-QZTJIDSGSA-N 1 1 349.544 3.987 20 30 EHEDMO CCCCCCC[NH+]1CCC(N2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001201762856 1136060961 /nfs/dbraw/zinc/06/09/61/1136060961.db2.gz XTQGNWYKPKBMEV-GOSISDBHSA-N 1 1 338.536 3.696 20 30 EHEDMO CCCCCCCN1CCC([N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001201762856 1136060964 /nfs/dbraw/zinc/06/09/64/1136060964.db2.gz XTQGNWYKPKBMEV-GOSISDBHSA-N 1 1 338.536 3.696 20 30 EHEDMO CCCCCCCN1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001201762856 1136060967 /nfs/dbraw/zinc/06/09/67/1136060967.db2.gz XTQGNWYKPKBMEV-GOSISDBHSA-N 1 1 338.536 3.696 20 30 EHEDMO CCCCCCCCCC[N@H+]1CC[C@H]2OCCN(C(C)=O)[C@H]2CC1 ZINC001201852894 1136066593 /nfs/dbraw/zinc/06/65/93/1136066593.db2.gz QUZLMDVVVOWBJK-VQTJNVASSA-N 1 1 338.536 3.839 20 30 EHEDMO CCCCCCCCC[N@@H+]1CCc2ncc(C(=O)OCC)n2CC1 ZINC001201852993 1136066780 /nfs/dbraw/zinc/06/67/80/1136066780.db2.gz WOXLXIBGEHSBDK-UHFFFAOYSA-N 1 1 335.492 3.669 20 30 EHEDMO C#CCCOc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000811519449 1136098052 /nfs/dbraw/zinc/09/80/52/1136098052.db2.gz XOLDEIDHAWLDPK-VQTJNVASSA-N 1 1 325.452 3.622 20 30 EHEDMO C#CCOc1cccc(Cl)c1C[NH2+]CCN1CCCC(C)(C)C1 ZINC001202176089 1136105717 /nfs/dbraw/zinc/10/57/17/1136105717.db2.gz KKOLHMUKKYERCB-UHFFFAOYSA-N 1 1 334.891 3.564 20 30 EHEDMO C[C@@H]1C(N=Nc2cnnc3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000811643927 1136116112 /nfs/dbraw/zinc/11/61/12/1136116112.db2.gz OWHGHJBGCWUXPU-OAHLLOKOSA-N 1 1 331.423 3.692 20 30 EHEDMO C#C[C@H](NC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(C)(C)C ZINC000812134500 1136177589 /nfs/dbraw/zinc/17/75/89/1136177589.db2.gz RYZJHCNDRDVROA-KDOFPFPSSA-N 1 1 338.455 3.589 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000747792485 1136218778 /nfs/dbraw/zinc/21/87/78/1136218778.db2.gz SOWRNVBZCLVRDJ-FPOVZHCZSA-N 1 1 336.435 3.655 20 30 EHEDMO CC[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)CC(C)(C)C ZINC000812893535 1136269731 /nfs/dbraw/zinc/26/97/31/1136269731.db2.gz WNVAWJSJNRVMHI-OAHLLOKOSA-N 1 1 336.439 3.592 20 30 EHEDMO CCc1c(C)sc(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)c1C#N ZINC000812969384 1136275526 /nfs/dbraw/zinc/27/55/26/1136275526.db2.gz RTOAHGNSYKXAFH-KRWDZBQOSA-N 1 1 337.464 3.642 20 30 EHEDMO C[C@@H](N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(OCC#N)cc1 ZINC000850538609 1136282221 /nfs/dbraw/zinc/28/22/21/1136282221.db2.gz ISHZCASJRZBFCK-AEFFLSMTSA-N 1 1 327.472 3.647 20 30 EHEDMO C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1)c1ccc(OCC#N)cc1 ZINC000850538609 1136282224 /nfs/dbraw/zinc/28/22/24/1136282224.db2.gz ISHZCASJRZBFCK-AEFFLSMTSA-N 1 1 327.472 3.647 20 30 EHEDMO C#CCCCCCC[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001170703638 1136316811 /nfs/dbraw/zinc/31/68/11/1136316811.db2.gz ROZKTIPQMQDNTA-MSOLQXFVSA-N 1 1 334.504 3.901 20 30 EHEDMO N#CC1(CC(=O)OC[C@H]2CCC[N@H+]2Cc2ccco2)CCCCC1 ZINC000850908826 1136317813 /nfs/dbraw/zinc/31/78/13/1136317813.db2.gz SYYXLFGWSUOWNC-MRXNPFEDSA-N 1 1 330.428 3.651 20 30 EHEDMO COC(CC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1)OC ZINC000851825347 1136411588 /nfs/dbraw/zinc/41/15/88/1136411588.db2.gz ZFCVKRSHBQGTAJ-UHFFFAOYSA-N 1 1 342.414 3.709 20 30 EHEDMO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000852098185 1136433199 /nfs/dbraw/zinc/43/31/99/1136433199.db2.gz HDJPSCPZYLIGTG-UYSIFFEZSA-N 1 1 343.496 3.974 20 30 EHEDMO C[C@@H](CC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1)OCc1ccccc1 ZINC000852331910 1136449930 /nfs/dbraw/zinc/44/99/30/1136449930.db2.gz NBHAZGUARWXOGA-SIKLNZKXSA-N 1 1 349.478 3.934 20 30 EHEDMO C[C@@H](CC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1)OCc1ccccc1 ZINC000852331910 1136449933 /nfs/dbraw/zinc/44/99/33/1136449933.db2.gz NBHAZGUARWXOGA-SIKLNZKXSA-N 1 1 349.478 3.934 20 30 EHEDMO C=C(C)CC[N@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852472827 1136458430 /nfs/dbraw/zinc/45/84/30/1136458430.db2.gz GPTPBSNNSSYYBN-CABCVRRESA-N 1 1 332.410 3.608 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+](CC3(C#N)CC3)C2)C1 ZINC000814674359 1136489320 /nfs/dbraw/zinc/48/93/20/1136489320.db2.gz PDNLHCNQLBFZDM-IAGOWNOFSA-N 1 1 347.503 3.649 20 30 EHEDMO CC(N=Nc1ccc(Br)nc1)c1cccc(C[NH+](C)C)c1 ZINC000814847268 1136514944 /nfs/dbraw/zinc/51/49/44/1136514944.db2.gz HAGCSUGFOOSNDU-UHFFFAOYSA-N 1 1 347.260 3.742 20 30 EHEDMO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1cccc(C#N)c1 ZINC000815446951 1136596028 /nfs/dbraw/zinc/59/60/28/1136596028.db2.gz IICUQZWWJXXQLZ-KXBFYZLASA-N 1 1 326.440 3.960 20 30 EHEDMO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2c(F)cccc2F)ccc1OC ZINC000113348079 1136697299 /nfs/dbraw/zinc/69/72/99/1136697299.db2.gz MROSQZJHJNVPGN-AWEZNQCLSA-N 1 1 346.377 3.944 20 30 EHEDMO C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000817276821 1136792924 /nfs/dbraw/zinc/79/29/24/1136792924.db2.gz QDZLGOQMUSRFPF-NHCUHLMSSA-N 1 1 338.426 3.828 20 30 EHEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000817325122 1136797513 /nfs/dbraw/zinc/79/75/13/1136797513.db2.gz XUIWRAXONBUZOW-YLJYHZDGSA-N 1 1 345.462 3.750 20 30 EHEDMO C[C@H](NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)c1ccc(C#N)cc1 ZINC000856882527 1136820473 /nfs/dbraw/zinc/82/04/73/1136820473.db2.gz ULKDKHZFAZUXPT-KKSFZXQISA-N 1 1 347.462 3.858 20 30 EHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001170882514 1136844552 /nfs/dbraw/zinc/84/45/52/1136844552.db2.gz SXZPJMZKYMQHTD-QAPCUYQASA-N 1 1 343.471 3.541 20 30 EHEDMO C#C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000820565763 1136997680 /nfs/dbraw/zinc/99/76/80/1136997680.db2.gz VFFPEULRYMFNBT-JLSDUUJJSA-N 1 1 347.890 3.529 20 30 EHEDMO C#C[C@H](NC(=O)N1CCC(C[N@H+](C)CCCC)CC1)c1ccccc1 ZINC000820604819 1136999676 /nfs/dbraw/zinc/99/96/76/1136999676.db2.gz HKIGRPACONUZDG-FQEVSTJZSA-N 1 1 341.499 3.514 20 30 EHEDMO CC1(C)Oc2ccsc2[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)[C@H]1O ZINC000821305843 1137022059 /nfs/dbraw/zinc/02/20/59/1137022059.db2.gz OLQONDFWVMREAR-DOTOQJQBSA-N 1 1 347.867 3.616 20 30 EHEDMO Cc1[nH+]ccn1CCCNC(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000821480506 1137029386 /nfs/dbraw/zinc/02/93/86/1137029386.db2.gz BKKZUZANFFDRST-UHFFFAOYSA-N 1 1 345.472 3.634 20 30 EHEDMO Cc1cc(-c2noc([C@@H]([NH3+])CCCC#N)n2)ccc1Br ZINC000822658744 1137068589 /nfs/dbraw/zinc/06/85/89/1137068589.db2.gz ATKBDKOMIVFRSD-LBPRGKRZSA-N 1 1 335.205 3.501 20 30 EHEDMO N#CCCC[C@H]([NH3+])c1nc(-c2ccccc2OCC2CCCC2)no1 ZINC000822990683 1137082456 /nfs/dbraw/zinc/08/24/56/1137082456.db2.gz IKCHWCKOWIRORW-INIZCTEOSA-N 1 1 340.427 3.999 20 30 EHEDMO Cc1cc(-c2noc([C@H]([NH3+])CCCC#N)n2)cc(C)c1Br ZINC000823083746 1137086443 /nfs/dbraw/zinc/08/64/43/1137086443.db2.gz ZWFFHNFGKJIKRJ-GFCCVEGCSA-N 1 1 349.232 3.810 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccnc(Br)c1 ZINC000823617741 1137106689 /nfs/dbraw/zinc/10/66/89/1137106689.db2.gz MAPKGYGNWAQALW-GFCCVEGCSA-N 1 1 330.229 3.909 20 30 EHEDMO C#CC[C@H]1CC[N@@H+](Cc2csc(COc3ccc(OC)cc3)n2)C1 ZINC000862445654 1137145425 /nfs/dbraw/zinc/14/54/25/1137145425.db2.gz YWQFNTRSMIXJSS-HNNXBMFYSA-N 1 1 342.464 3.576 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2csc(COc3ccc(OC)cc3)n2)C1 ZINC000862445654 1137145426 /nfs/dbraw/zinc/14/54/26/1137145426.db2.gz YWQFNTRSMIXJSS-HNNXBMFYSA-N 1 1 342.464 3.576 20 30 EHEDMO C[C@H](C[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1)NC(=O)OC(C)(C)C ZINC000862541445 1137149330 /nfs/dbraw/zinc/14/93/30/1137149330.db2.gz QRBARCVPPPJUNW-OAHLLOKOSA-N 1 1 343.471 3.587 20 30 EHEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(N2CCOC2=O)cc1 ZINC000794460436 1137163381 /nfs/dbraw/zinc/16/33/81/1137163381.db2.gz YPHDYUVCTWJJAZ-CYBMUJFWSA-N 1 1 339.370 3.505 20 30 EHEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c[nH]c3cccc(F)c13)C2 ZINC001136983438 1137163867 /nfs/dbraw/zinc/16/38/67/1137163867.db2.gz SDPINKCXDKFRPO-OXQOHEQNSA-N 1 1 344.430 3.633 20 30 EHEDMO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc4c(c3)COC4)C2)c1 ZINC001137028340 1137175427 /nfs/dbraw/zinc/17/54/27/1137175427.db2.gz ITMFQFWCFFICIN-NRFANRHFSA-N 1 1 334.419 3.632 20 30 EHEDMO C[C@@H]1[C@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC[N@H+]1C ZINC000825449932 1137177956 /nfs/dbraw/zinc/17/79/56/1137177956.db2.gz HPAGWKKQYBZQJR-YSGRDPCXSA-N 1 1 333.435 3.621 20 30 EHEDMO C#C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)c1ccc(Cl)cc1 ZINC000843890876 1137186906 /nfs/dbraw/zinc/18/69/06/1137186906.db2.gz FLFJVHUETQMGAI-XJKSGUPXSA-N 1 1 329.831 3.541 20 30 EHEDMO CN(C)c1ccc(C=[NH+]N[C@@H]2CCOC(C)(C)C2)c(C(F)(F)F)c1 ZINC000794534758 1137191649 /nfs/dbraw/zinc/19/16/49/1137191649.db2.gz CMARBUZDNKETOM-CYBMUJFWSA-N 1 1 343.393 3.653 20 30 EHEDMO N#Cc1cccc(Cl)c1C[NH+]1CCC(COc2cccnc2)CC1 ZINC001143719144 1137191758 /nfs/dbraw/zinc/19/17/58/1137191758.db2.gz TVOITAYOYSRDPV-UHFFFAOYSA-N 1 1 341.842 3.898 20 30 EHEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1cc(F)cc(F)c1C)C2 ZINC001143761551 1137196161 /nfs/dbraw/zinc/19/61/61/1137196161.db2.gz MJCFGZNRBWTFMI-FQEVSTJZSA-N 1 1 348.437 3.806 20 30 EHEDMO C[C@@H](C#N)OCCOc1cccc(C[N@H+]2CCc3ccccc3C2)c1 ZINC000844237613 1137205960 /nfs/dbraw/zinc/20/59/60/1137205960.db2.gz RKKMQRVWULFIHQ-KRWDZBQOSA-N 1 1 336.435 3.552 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c1O ZINC000794649285 1137222752 /nfs/dbraw/zinc/22/27/52/1137222752.db2.gz AJXQUMPWMKXDTO-AUUYWEPGSA-N 1 1 331.456 3.519 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1C[C@@](C)(c2ccccn2)CC1=O ZINC000794651972 1137223874 /nfs/dbraw/zinc/22/38/74/1137223874.db2.gz YOWLNAFEZVZEEG-QFIPXVFZSA-N 1 1 349.478 3.607 20 30 EHEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1C[C@@](C)(c2ccccn2)CC1=O ZINC000794651972 1137223876 /nfs/dbraw/zinc/22/38/76/1137223876.db2.gz YOWLNAFEZVZEEG-QFIPXVFZSA-N 1 1 349.478 3.607 20 30 EHEDMO C=CCC[C@@H](C(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1)c1ccccc1 ZINC001144023772 1137229948 /nfs/dbraw/zinc/22/99/48/1137229948.db2.gz BUQCEMSJEKREIV-MOPGFXCFSA-N 1 1 328.500 3.925 20 30 EHEDMO CCC[N@H+](Cc1cncc(C#N)c1)[C@H](C)C(=O)Nc1ccccc1C ZINC001144083554 1137237508 /nfs/dbraw/zinc/23/75/08/1137237508.db2.gz KDCOJGCMOULKNF-MRXNPFEDSA-N 1 1 336.439 3.501 20 30 EHEDMO CCC[N@@H+](Cc1cncc(C#N)c1)[C@H](C)C(=O)Nc1ccccc1C ZINC001144083554 1137237509 /nfs/dbraw/zinc/23/75/09/1137237509.db2.gz KDCOJGCMOULKNF-MRXNPFEDSA-N 1 1 336.439 3.501 20 30 EHEDMO N#CCc1ccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cc1[N+](=O)[O-] ZINC001171182920 1137293608 /nfs/dbraw/zinc/29/36/08/1137293608.db2.gz WPYNZUTWQQPQFM-UHFFFAOYSA-N 1 1 346.346 3.557 20 30 EHEDMO Cc1ccnc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)c1Br ZINC000865546489 1137293795 /nfs/dbraw/zinc/29/37/95/1137293795.db2.gz VSYUGJVSWSSCBU-OAHLLOKOSA-N 1 1 342.240 3.801 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](CCN)C12CC3CC(CC(C3)C1)C2 ZINC001171193012 1137299591 /nfs/dbraw/zinc/29/95/91/1137299591.db2.gz RLFVYSOTEDMXFO-FGMIYAIPSA-N 1 1 337.511 3.719 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](CCN)C12CC3CC(CC(C3)C1)C2 ZINC001171193016 1137299650 /nfs/dbraw/zinc/29/96/50/1137299650.db2.gz RLFVYSOTEDMXFO-LHEVVOJOSA-N 1 1 337.511 3.719 20 30 EHEDMO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000865631803 1137300294 /nfs/dbraw/zinc/30/02/94/1137300294.db2.gz JBWHDJBGUQTEOQ-UHFFFAOYSA-N 1 1 349.356 3.655 20 30 EHEDMO C#Cc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)cc1 ZINC001144578330 1137310738 /nfs/dbraw/zinc/31/07/38/1137310738.db2.gz ALQKNULXUIWXTD-QFIPXVFZSA-N 1 1 331.415 3.509 20 30 EHEDMO C#Cc1ccc(C[N@H+](C)C2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001144578322 1137310845 /nfs/dbraw/zinc/31/08/45/1137310845.db2.gz AGWZRDWXYLORMC-UHFFFAOYSA-N 1 1 342.483 3.889 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001144568355 1137311291 /nfs/dbraw/zinc/31/12/91/1137311291.db2.gz RUSSGLUMSNQAPG-APWZRJJASA-N 1 1 342.483 3.651 20 30 EHEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@H](c2nccn2C)c2ccccc2OC)C1 ZINC000845921208 1137320227 /nfs/dbraw/zinc/32/02/27/1137320227.db2.gz KLAWEWNSJSIKHK-GJYPPUQNSA-N 1 1 325.456 3.853 20 30 EHEDMO CC(C)(C)[N@H+]1CC[C@H](CNc2cc(C(F)(F)F)cc(C#N)n2)C1 ZINC000865930034 1137320870 /nfs/dbraw/zinc/32/08/70/1137320870.db2.gz HAJOGGXAIQURLK-LLVKDONJSA-N 1 1 326.366 3.504 20 30 EHEDMO C[C@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1cccc(C#N)c1O ZINC000866229399 1137336788 /nfs/dbraw/zinc/33/67/88/1137336788.db2.gz PCEOITJGKCIYDK-AWEZNQCLSA-N 1 1 337.423 3.831 20 30 EHEDMO CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cccc(C#N)c1[O-] ZINC000866232003 1137337218 /nfs/dbraw/zinc/33/72/18/1137337218.db2.gz DTCJNPPDMCSEGJ-MRXNPFEDSA-N 1 1 337.467 3.955 20 30 EHEDMO COc1ccccc1O[C@@H]1CC[N@H+]([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171220990 1137346606 /nfs/dbraw/zinc/34/66/06/1137346606.db2.gz GVFNQJHEUKZVLX-VQIMIIECSA-N 1 1 336.435 3.651 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001171228472 1137353450 /nfs/dbraw/zinc/35/34/50/1137353450.db2.gz GSRFXUAHAZMHBM-CRAIPNDOSA-N 1 1 328.456 3.543 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001171229706 1137353867 /nfs/dbraw/zinc/35/38/67/1137353867.db2.gz QGYGVFCTZPWNID-KRWDZBQOSA-N 1 1 342.446 3.733 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)N1CC[NH+](C2(c3ccccc3)CC2)CC1 ZINC001171227931 1137353956 /nfs/dbraw/zinc/35/39/56/1137353956.db2.gz CLLTWUAFSVFUSK-IBGZPJMESA-N 1 1 345.490 3.796 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1CC(=O)OC(C)(C)C ZINC001171229356 1137354349 /nfs/dbraw/zinc/35/43/49/1137354349.db2.gz MOYLFHFEVDJJBN-MAUKXSAKSA-N 1 1 328.456 3.685 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001171231731 1137355310 /nfs/dbraw/zinc/35/53/10/1137355310.db2.gz MCNFBVCVUFVYOD-LEOXJPRUSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)N1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001171231731 1137355311 /nfs/dbraw/zinc/35/53/11/1137355311.db2.gz MCNFBVCVUFVYOD-LEOXJPRUSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)N1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001171231731 1137355312 /nfs/dbraw/zinc/35/53/12/1137355312.db2.gz MCNFBVCVUFVYOD-LEOXJPRUSA-N 1 1 345.490 3.696 20 30 EHEDMO COc1ccc(C(C)C)cc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000847008860 1137382528 /nfs/dbraw/zinc/38/25/28/1137382528.db2.gz NDRWUCKFJGXWRK-FQEVSTJZSA-N 1 1 338.451 3.856 20 30 EHEDMO C=CC(C)(C)CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001148727309 1137432259 /nfs/dbraw/zinc/43/22/59/1137432259.db2.gz NNLHCIMQVXJCHX-KRWDZBQOSA-N 1 1 332.463 3.756 20 30 EHEDMO CC(C)(CCC#N)c1ccc(C(=O)NCc2[nH+]cn3ccccc23)cc1 ZINC001148912269 1137437702 /nfs/dbraw/zinc/43/77/02/1137437702.db2.gz JYUKKUSBQHZDFG-UHFFFAOYSA-N 1 1 346.434 3.846 20 30 EHEDMO CN(c1ncc(C#N)cc1Cl)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000348170812 1137449998 /nfs/dbraw/zinc/44/99/98/1137449998.db2.gz SOWJCHAZOZCPGA-QGZVFWFLSA-N 1 1 340.858 3.707 20 30 EHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CCc3c(F)cccc3C1)C2 ZINC001171434550 1137481749 /nfs/dbraw/zinc/48/17/49/1137481749.db2.gz TZWJPUKSBJGMAI-LVCYWYKZSA-N 1 1 345.458 3.509 20 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C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC001172310662 1137545960 /nfs/dbraw/zinc/54/59/60/1137545960.db2.gz HBPSKUKYQDUVTJ-QGZVFWFLSA-N 1 1 330.435 3.807 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)N1CC[NH+](C2(c3ccccc3)CC2)CC1 ZINC001172310971 1137545969 /nfs/dbraw/zinc/54/59/69/1137545969.db2.gz MQNRMUHCGWXQIV-LJQANCHMSA-N 1 1 345.490 3.796 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCn2c(-c3ccccc3)cnc2C1 ZINC001172310874 1137546094 /nfs/dbraw/zinc/54/60/94/1137546094.db2.gz KUMLAERZSBUPJI-KRWDZBQOSA-N 1 1 342.446 3.869 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCn2c(-c3ccccc3)cnc2C1 ZINC001172310874 1137546096 /nfs/dbraw/zinc/54/60/96/1137546096.db2.gz KUMLAERZSBUPJI-KRWDZBQOSA-N 1 1 342.446 3.869 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001172311843 1137546345 /nfs/dbraw/zinc/54/63/45/1137546345.db2.gz ZHBQCRZXQJKVFC-DZFGPLHGSA-N 1 1 325.500 3.828 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001172311843 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XEPKEROKYZIGEX-ZGXWSNOMSA-N 1 1 339.520 3.654 20 30 EHEDMO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872066099 1137569290 /nfs/dbraw/zinc/56/92/90/1137569290.db2.gz DYFOONSWPUKGOP-BDJLRTHQSA-N 1 1 325.343 3.944 20 30 EHEDMO C#CCCCCCC[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000876663565 1137658571 /nfs/dbraw/zinc/65/85/71/1137658571.db2.gz YJMWUBALMMRECL-UHFFFAOYSA-N 1 1 326.484 3.807 20 30 EHEDMO N#Cc1cccc(C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000876721074 1137659804 /nfs/dbraw/zinc/65/98/04/1137659804.db2.gz FSEWXFZXLAJVRS-IBGZPJMESA-N 1 1 341.842 3.552 20 30 EHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000877482833 1137677897 /nfs/dbraw/zinc/67/78/97/1137677897.db2.gz IIWWQAZAAXZWKG-AWEZNQCLSA-N 1 1 349.475 3.975 20 30 EHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000877482833 1137677898 /nfs/dbraw/zinc/67/78/98/1137677898.db2.gz IIWWQAZAAXZWKG-AWEZNQCLSA-N 1 1 349.475 3.975 20 30 EHEDMO COc1cccc([C@H]2CCC[N@@H+](Cc3ccc(OCC#N)cc3)C2)c1 ZINC001137122648 1137681966 /nfs/dbraw/zinc/68/19/66/1137681966.db2.gz MBQXWZLDSFMFIN-IBGZPJMESA-N 1 1 336.435 3.977 20 30 EHEDMO COc1ccc(C[N@@H+](C)CC[C@@](C#N)(C(C)=O)c2ccccc2)cc1 ZINC000877938704 1137696307 /nfs/dbraw/zinc/69/63/07/1137696307.db2.gz LAUJLSNRSSAISJ-OAQYLSRUSA-N 1 1 336.435 3.568 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCCC[C@@H]1c1cccn1C)c1ccccc1 ZINC000878157465 1137705055 /nfs/dbraw/zinc/70/50/55/1137705055.db2.gz GBGCBQVLTJIQDS-FGZHOGPDSA-N 1 1 349.478 3.993 20 30 EHEDMO C=CCCC[C@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000878274723 1137709441 /nfs/dbraw/zinc/70/94/41/1137709441.db2.gz CHLHKYHLRQYJAS-AABGKKOBSA-N 1 1 326.484 3.870 20 30 EHEDMO CC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000878625573 1137722760 /nfs/dbraw/zinc/72/27/60/1137722760.db2.gz XNBAGNVZZXSVGS-FPOVZHCZSA-N 1 1 342.483 3.707 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCC[N@H+]2CC2(CC#N)CC2)C1 ZINC000878655387 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CN(Cc1ccc(OCC#N)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266607589 1140707644 /nfs/dbraw/zinc/70/76/44/1140707644.db2.gz ZAOFPPJGKPGINF-NRFANRHFSA-N 1 1 349.478 3.543 20 30 EHEDMO CN(Cc1ccc(OCC#N)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266607589 1140707650 /nfs/dbraw/zinc/70/76/50/1140707650.db2.gz ZAOFPPJGKPGINF-NRFANRHFSA-N 1 1 349.478 3.543 20 30 EHEDMO COc1ccc(Br)cc1C[N@@H+](C)CCCSCC#N ZINC000266686230 1140716486 /nfs/dbraw/zinc/71/64/86/1140716486.db2.gz AVJBFGBOMUFHKL-UHFFFAOYSA-N 1 1 343.290 3.536 20 30 EHEDMO CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000268699231 1140972848 /nfs/dbraw/zinc/97/28/48/1140972848.db2.gz QUGIDZCPPSASMH-HRAATJIYSA-N 1 1 338.451 3.553 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000268706879 1140974246 /nfs/dbraw/zinc/97/42/46/1140974246.db2.gz SPNPYAWJYNILEX-FXAWDEMLSA-N 1 1 338.476 3.706 20 30 EHEDMO C=C(C)[C@H](CC(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)OCC ZINC000270026454 1141169823 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DSQBVMVCJFYLDQ-FQEVSTJZSA-N 1 1 347.462 3.728 20 30 EHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cccc4c3CCOC4)CC2)cc1 ZINC000602799823 1033172072 /nfs/dbraw/zinc/17/20/72/1033172072.db2.gz UYCSQNACXQDYAY-UHFFFAOYSA-N 1 1 330.431 3.920 20 30 EHEDMO N#CCCN(C(=O)C[N@H+](Cc1ccccc1)C1CC1)c1ccccc1 ZINC000025745673 1023987257 /nfs/dbraw/zinc/98/72/57/1023987257.db2.gz MDMBUDOQSOGTGU-UHFFFAOYSA-N 1 1 333.435 3.598 20 30 EHEDMO N#CCCN(C(=O)C[N@@H+](Cc1ccccc1)C1CC1)c1ccccc1 ZINC000025745673 1023987266 /nfs/dbraw/zinc/98/72/66/1023987266.db2.gz MDMBUDOQSOGTGU-UHFFFAOYSA-N 1 1 333.435 3.598 20 30 EHEDMO CC#CC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000550500149 1024003892 /nfs/dbraw/zinc/00/38/92/1024003892.db2.gz NQYLDEWRJPQVGL-NWDGAFQWSA-N 1 1 327.255 3.514 20 30 EHEDMO CC#CC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000550500149 1024003908 /nfs/dbraw/zinc/00/39/08/1024003908.db2.gz NQYLDEWRJPQVGL-NWDGAFQWSA-N 1 1 327.255 3.514 20 30 EHEDMO N#CCC1(C[N@@H+](CCCOc2ccccc2)C2CCOCC2)CC1 ZINC000602810341 1033182890 /nfs/dbraw/zinc/18/28/90/1033182890.db2.gz LZSMIGMANXLEIP-UHFFFAOYSA-N 1 1 328.456 3.630 20 30 EHEDMO Cc1sc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000248420561 1024087799 /nfs/dbraw/zinc/08/77/99/1024087799.db2.gz LUMUQRNPFHWWLF-PJODQICGSA-N 1 1 331.485 3.686 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1c[nH]c2ccccc12 ZINC000190456960 1024189730 /nfs/dbraw/zinc/18/97/30/1024189730.db2.gz ABMCVWXWFLVQBN-UHFFFAOYSA-N 1 1 346.434 3.890 20 30 EHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000329785972 1024195325 /nfs/dbraw/zinc/19/53/25/1024195325.db2.gz QJLTVRDIPRDYPA-ZACQAIPSSA-N 1 1 345.487 3.591 20 30 EHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000329785972 1024195333 /nfs/dbraw/zinc/19/53/33/1024195333.db2.gz QJLTVRDIPRDYPA-ZACQAIPSSA-N 1 1 345.487 3.591 20 30 EHEDMO CCO[C@H](C)c1ncc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC000329827745 1024213056 /nfs/dbraw/zinc/21/30/56/1024213056.db2.gz RQNKUHCNLHVUKT-RLAWYHOSSA-N 1 1 337.489 3.561 20 30 EHEDMO Cc1cnn([C@@H]2CC[N@H+]([C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C2)c1 ZINC000329835521 1024216063 /nfs/dbraw/zinc/21/60/63/1024216063.db2.gz LLEQNSNBBODDHQ-QXDIGNSFSA-N 1 1 332.492 3.608 20 30 EHEDMO CCCCCCCCCCC(=O)N1CCC[C@]2(C1)C[N@H+](C)CCO2 ZINC001269832206 1024262399 /nfs/dbraw/zinc/26/23/99/1024262399.db2.gz JLOCXZPEUBDULD-HXUWFJFHSA-N 1 1 338.536 3.840 20 30 EHEDMO CCCCCCCCCCC(=O)N1CCC[C@]2(C1)C[N@@H+](C)CCO2 ZINC001269832206 1024262410 /nfs/dbraw/zinc/26/24/10/1024262410.db2.gz JLOCXZPEUBDULD-HXUWFJFHSA-N 1 1 338.536 3.840 20 30 EHEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCc2cc(C)ccc21 ZINC000330030954 1024297052 /nfs/dbraw/zinc/29/70/52/1024297052.db2.gz SIYPJMHWIGSHOQ-QGZVFWFLSA-N 1 1 349.438 3.523 20 30 EHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000105269275 1024308652 /nfs/dbraw/zinc/30/86/52/1024308652.db2.gz KCWJFESSKZDRAY-LBPRGKRZSA-N 1 1 341.908 3.582 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000443652039 1024335182 /nfs/dbraw/zinc/33/51/82/1024335182.db2.gz KRPAMQXCAKVAGU-FGTMMUONSA-N 1 1 327.472 3.690 20 30 EHEDMO Cc1oc2ccc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)cc2c1C ZINC000330159744 1024337497 /nfs/dbraw/zinc/33/74/97/1024337497.db2.gz QQWAWEHGCOZJMF-IAGOWNOFSA-N 1 1 327.428 3.812 20 30 EHEDMO Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH+]3CC(CC#N)C3)n2c1 ZINC000895344297 1024342003 /nfs/dbraw/zinc/34/20/03/1024342003.db2.gz NXVCEPNFPPGCSJ-UHFFFAOYSA-N 1 1 334.398 3.794 20 30 EHEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCCC(F)(F)C2)C1 ZINC000330222860 1024361206 /nfs/dbraw/zinc/36/12/06/1024361206.db2.gz MVARLHNWDRMXJG-ZIAGYGMSSA-N 1 1 340.418 3.574 20 30 EHEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CCCC(F)(F)C2)C1 ZINC000330222860 1024361223 /nfs/dbraw/zinc/36/12/23/1024361223.db2.gz MVARLHNWDRMXJG-ZIAGYGMSSA-N 1 1 340.418 3.574 20 30 EHEDMO O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330232800 1024365495 /nfs/dbraw/zinc/36/54/95/1024365495.db2.gz RVVPJUNSWBOCSF-MSOLQXFVSA-N 1 1 342.487 3.959 20 30 EHEDMO C=CC[N@@H+](Cc1cc(-n2ccnc2)cs1)Cc1cccc(C#N)c1 ZINC000346161176 1024474192 /nfs/dbraw/zinc/47/41/92/1024474192.db2.gz XEMFYXSEIBPYRJ-UHFFFAOYSA-N 1 1 334.448 3.994 20 30 EHEDMO COCC[N@@H+](CCCc1ccccc1OC)Cc1ccc(C#N)cc1 ZINC000505568510 1024507554 /nfs/dbraw/zinc/50/75/54/1024507554.db2.gz KOSHHUCMGVFKDB-UHFFFAOYSA-N 1 1 338.451 3.648 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000602840312 1033216739 /nfs/dbraw/zinc/21/67/39/1033216739.db2.gz NEHIKJXILFJKFW-CQSZACIVSA-N 1 1 346.500 3.639 20 30 EHEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000346314628 1024640161 /nfs/dbraw/zinc/64/01/61/1024640161.db2.gz SFZBOODRPCPFIX-MRXNPFEDSA-N 1 1 328.481 3.783 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000346314628 1024640171 /nfs/dbraw/zinc/64/01/71/1024640171.db2.gz SFZBOODRPCPFIX-MRXNPFEDSA-N 1 1 328.481 3.783 20 30 EHEDMO C[N@H+](Cc1ccccc1)[C@@H](CNCc1cc(C#N)cs1)C1CC1 ZINC000185220609 1024653992 /nfs/dbraw/zinc/65/39/92/1024653992.db2.gz YQCHAPWAHDBASJ-IBGZPJMESA-N 1 1 325.481 3.620 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNCc1cc(C#N)cs1)C1CC1 ZINC000185220609 1024653999 /nfs/dbraw/zinc/65/39/99/1024653999.db2.gz YQCHAPWAHDBASJ-IBGZPJMESA-N 1 1 325.481 3.620 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000296603244 1024654395 /nfs/dbraw/zinc/65/43/95/1024654395.db2.gz WNXBOAXLPYCSTG-FQEVSTJZSA-N 1 1 343.471 3.591 20 30 EHEDMO N#Cc1ccc(C[NH+]2CC(Cc3cccc(Br)c3)C2)o1 ZINC000895612836 1024658947 /nfs/dbraw/zinc/65/89/47/1024658947.db2.gz RXYVLWKPDXYTQB-UHFFFAOYSA-N 1 1 331.213 3.588 20 30 EHEDMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000330310935 1024676391 /nfs/dbraw/zinc/67/63/91/1024676391.db2.gz VJQNLSHENNGTOS-KRWDZBQOSA-N 1 1 343.471 3.534 20 30 EHEDMO N#Cc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cs1 ZINC000895640786 1024684005 /nfs/dbraw/zinc/68/40/05/1024684005.db2.gz JUOQUFHSRXAJCQ-INIZCTEOSA-N 1 1 325.437 3.545 20 30 EHEDMO N#Cc1cc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cs1 ZINC000895640786 1024684011 /nfs/dbraw/zinc/68/40/11/1024684011.db2.gz JUOQUFHSRXAJCQ-INIZCTEOSA-N 1 1 325.437 3.545 20 30 EHEDMO C[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)C[C@@H](c2ccsc2)O1 ZINC000281153710 1024710854 /nfs/dbraw/zinc/71/08/54/1024710854.db2.gz BMWPLOCMHVLDJO-RDJZCZTQSA-N 1 1 334.485 3.610 20 30 EHEDMO C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)C[C@@H](c2ccsc2)O1 ZINC000281153710 1024710866 /nfs/dbraw/zinc/71/08/66/1024710866.db2.gz BMWPLOCMHVLDJO-RDJZCZTQSA-N 1 1 334.485 3.610 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000185310038 1024790389 /nfs/dbraw/zinc/79/03/89/1024790389.db2.gz UYSUKGZHAVWMQZ-OAQYLSRUSA-N 1 1 347.462 3.507 20 30 EHEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc(C#N)cs1 ZINC000346510671 1024803603 /nfs/dbraw/zinc/80/36/03/1024803603.db2.gz XKSBZANRGWHFJI-QGZVFWFLSA-N 1 1 341.480 3.506 20 30 EHEDMO N#Cc1ccc(C2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)nc1 ZINC000602910063 1033240997 /nfs/dbraw/zinc/24/09/97/1033240997.db2.gz CYGSZJUIIKKDJN-UHFFFAOYSA-N 1 1 344.418 3.988 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(Br)cn1 ZINC000425365199 1024868978 /nfs/dbraw/zinc/86/89/78/1024868978.db2.gz JHXFZXPKIJZYJQ-GFCCVEGCSA-N 1 1 330.229 3.909 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc2c(c1)sc(=O)n2C ZINC000425367351 1024878847 /nfs/dbraw/zinc/87/88/47/1024878847.db2.gz SOJOPZNKKRPLIN-CYBMUJFWSA-N 1 1 337.448 3.665 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000346595261 1024905614 /nfs/dbraw/zinc/90/56/14/1024905614.db2.gz VTJBQGZCXTXSNY-ROUUACIJSA-N 1 1 347.462 3.602 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000346595262 1024906571 /nfs/dbraw/zinc/90/65/71/1024906571.db2.gz VTJBQGZCXTXSNY-ZWKOTPCHSA-N 1 1 347.462 3.602 20 30 EHEDMO C[C@@H](c1ccccc1)[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000352821662 1024988259 /nfs/dbraw/zinc/98/82/59/1024988259.db2.gz BTDDZCKGPDLDHJ-OXJNMPFZSA-N 1 1 336.435 3.524 20 30 EHEDMO Cc1[nH+]ccn1CCCN(C)c1nc2c(cc1C#N)CCCC2(C)C ZINC000428172628 1025028580 /nfs/dbraw/zinc/02/85/80/1025028580.db2.gz VAIUBKOGBHHTIZ-UHFFFAOYSA-N 1 1 337.471 3.599 20 30 EHEDMO C=CCOc1ccccc1C[N@@H+]1CC2(CC(OC)(OC)C2)[C@@H]1C(C)C ZINC000895997229 1025051217 /nfs/dbraw/zinc/05/12/17/1025051217.db2.gz XGFQJVFBYBTTFN-IBGZPJMESA-N 1 1 345.483 3.861 20 30 EHEDMO C=CCOc1cccc(C[N@@H+]2CC3(CC(OC)(OC)C3)[C@H]2C(C)C)c1 ZINC000895996083 1025064569 /nfs/dbraw/zinc/06/45/69/1025064569.db2.gz OFYGIWVDELDCNZ-LJQANCHMSA-N 1 1 345.483 3.861 20 30 EHEDMO C/C(=C/C(C)(C)C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000588496328 1025091961 /nfs/dbraw/zinc/09/19/61/1025091961.db2.gz ZRGVWOZGCOZHKY-VKAVYKQESA-N 1 1 339.483 3.585 20 30 EHEDMO Cc1ccccc1C[C@H](C)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000515231926 1025099399 /nfs/dbraw/zinc/09/93/99/1025099399.db2.gz XYIJWGFMKRXDMJ-HNNXBMFYSA-N 1 1 341.480 3.820 20 30 EHEDMO CC1(C)C[N@H+](C2(CNc3ccc(C#N)cc3)CCCCC2)CCO1 ZINC000520883186 1025108419 /nfs/dbraw/zinc/10/84/19/1025108419.db2.gz CXAAGCVBSXAVRJ-UHFFFAOYSA-N 1 1 327.472 3.784 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC2(CC2)CC1 ZINC000366634028 1025128356 /nfs/dbraw/zinc/12/83/56/1025128356.db2.gz TZWKHSOFIUJOKD-HNNXBMFYSA-N 1 1 343.496 3.895 20 30 EHEDMO Cc1cc(C)cc(NC(=[NH2+])NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000262256025 1025156459 /nfs/dbraw/zinc/15/64/59/1025156459.db2.gz JAPXUZRMFIDYMN-QGZVFWFLSA-N 1 1 342.512 3.929 20 30 EHEDMO Cc1ccc(C[NH+]2CCOCC2)cc1NCc1ccc(C#N)c(C)c1 ZINC000444004597 1025177512 /nfs/dbraw/zinc/17/75/12/1025177512.db2.gz RIFWETYSRROXMT-UHFFFAOYSA-N 1 1 335.451 3.619 20 30 EHEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000521194937 1025254612 /nfs/dbraw/zinc/25/46/12/1025254612.db2.gz CHKNDGAGGXMIQF-AWEZNQCLSA-N 1 1 340.389 3.899 20 30 EHEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000521194937 1025254616 /nfs/dbraw/zinc/25/46/16/1025254616.db2.gz CHKNDGAGGXMIQF-AWEZNQCLSA-N 1 1 340.389 3.899 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C1(C#N)CCCCC1 ZINC000346876747 1025273438 /nfs/dbraw/zinc/27/34/38/1025273438.db2.gz LWXJJFAAUSRQSE-QZTJIDSGSA-N 1 1 339.483 3.582 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C1(C#N)CCCCC1 ZINC000346876747 1025273453 /nfs/dbraw/zinc/27/34/53/1025273453.db2.gz LWXJJFAAUSRQSE-QZTJIDSGSA-N 1 1 339.483 3.582 20 30 EHEDMO C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)Cc1ccc(C#N)cc1 ZINC000046529251 1033275454 /nfs/dbraw/zinc/27/54/54/1033275454.db2.gz GYEUFKDOLAEOIO-NRFANRHFSA-N 1 1 347.462 3.574 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@@H+]([C@H](C)c1ccccc1)C1CCCC1 ZINC000425457380 1025350080 /nfs/dbraw/zinc/35/00/80/1025350080.db2.gz KFXQVKBFRUIJFP-QGZVFWFLSA-N 1 1 327.472 3.754 20 30 EHEDMO CC[N@@H+](Cc1c[nH]nc1-c1cccnc1)[C@H](C)c1ccc(C#N)cc1 ZINC000119875050 1025374796 /nfs/dbraw/zinc/37/47/96/1025374796.db2.gz PHPKOFVONXMNCC-OAHLLOKOSA-N 1 1 331.423 3.926 20 30 EHEDMO N#Cc1cc(Cl)ccc1C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000281695012 1025383707 /nfs/dbraw/zinc/38/37/07/1025383707.db2.gz NJZHNZFFBXRTCG-LJQANCHMSA-N 1 1 326.827 3.525 20 30 EHEDMO C[C@@H](c1cccc(NCc2cccc(C#N)c2F)c1)[NH+]1CCOCC1 ZINC000342432499 1025428190 /nfs/dbraw/zinc/42/81/90/1025428190.db2.gz GRGZNSFHYRCCER-HNNXBMFYSA-N 1 1 339.414 3.703 20 30 EHEDMO CC1(C)c2ccc(C(=O)NCC[N@H+]3CCCC(C)(C)C3)cc2NC1=O ZINC000329015046 1025569717 /nfs/dbraw/zinc/56/97/17/1025569717.db2.gz PWYHKFRJZWXSTG-UHFFFAOYSA-N 1 1 343.471 3.992 20 30 EHEDMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000329032088 1025576673 /nfs/dbraw/zinc/57/66/73/1025576673.db2.gz LRTIBSXZKYJYHR-UKRRQHHQSA-N 1 1 340.427 3.721 20 30 EHEDMO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000329032088 1025576684 /nfs/dbraw/zinc/57/66/84/1025576684.db2.gz LRTIBSXZKYJYHR-UKRRQHHQSA-N 1 1 340.427 3.721 20 30 EHEDMO Cc1c(C#N)cccc1NC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000178552227 1025578358 /nfs/dbraw/zinc/57/83/58/1025578358.db2.gz FFTIBVPPBWMFQD-HNNXBMFYSA-N 1 1 336.439 3.509 20 30 EHEDMO C=CCN1CCC([NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)CC1 ZINC000582210672 1025584672 /nfs/dbraw/zinc/58/46/72/1025584672.db2.gz BKLGZCNZBCYRKK-UHFFFAOYSA-N 1 1 342.314 3.799 20 30 EHEDMO C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCc2cccs2)CC12CCC2 ZINC000329140927 1025621463 /nfs/dbraw/zinc/62/14/63/1025621463.db2.gz JVZWCGZHGLCAEY-CYBMUJFWSA-N 1 1 335.473 3.631 20 30 EHEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC12CCC2 ZINC000329136700 1025621981 /nfs/dbraw/zinc/62/19/81/1025621981.db2.gz HDXWWOGJRLSYNL-OAHLLOKOSA-N 1 1 344.455 3.948 20 30 EHEDMO C[C@@H](O)C[N@@H+](Cc1ccc(C#N)o1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000442966212 1025626611 /nfs/dbraw/zinc/62/66/11/1025626611.db2.gz RTPJPDOMTRWQOW-ZIAGYGMSSA-N 1 1 332.831 3.619 20 30 EHEDMO COc1nc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc2ccccc21 ZINC000329172353 1025642941 /nfs/dbraw/zinc/64/29/41/1025642941.db2.gz KZOKHXDPACULTH-HNNXBMFYSA-N 1 1 339.439 3.565 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C=CCC(C)(C)CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000432105932 1041601613 /nfs/dbraw/zinc/60/16/13/1041601613.db2.gz GMMLISSVDVBJIN-INIZCTEOSA-N 1 1 349.544 3.862 20 30 EHEDMO N#Cc1cccc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000511858909 1041733305 /nfs/dbraw/zinc/73/33/05/1041733305.db2.gz JKSJMHIIBQSORU-HBMCJLEFSA-N 1 1 345.446 3.765 20 30 EHEDMO C=CC[N@@H+](Cc1coc(-c2ccc(OCC)cc2)n1)[C@H](C)COC ZINC000661241810 1042023623 /nfs/dbraw/zinc/02/36/23/1042023623.db2.gz HKAVUVLXTGTGDJ-OAHLLOKOSA-N 1 1 330.428 3.763 20 30 EHEDMO C=CC[N@H+](Cc1coc(-c2ccc(OCC)cc2)n1)[C@H](C)COC ZINC000661241810 1042023625 /nfs/dbraw/zinc/02/36/25/1042023625.db2.gz HKAVUVLXTGTGDJ-OAHLLOKOSA-N 1 1 330.428 3.763 20 30 EHEDMO Cc1[nH+]c(N)ccc1CNc1ncc(Cl)cc1C#C[Si](C)(C)C ZINC001167785271 1042416880 /nfs/dbraw/zinc/41/68/80/1042416880.db2.gz NTUKXXAIWFHTNJ-UHFFFAOYSA-N 1 1 344.922 3.862 20 30 EHEDMO N#Cc1cccc(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000709623808 1042440350 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FDGDFCWXSXWHHL-UWJYYQICSA-N 1 1 336.483 3.817 20 30 EHEDMO N#Cc1ccc(F)cc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000382264638 1042649148 /nfs/dbraw/zinc/64/91/48/1042649148.db2.gz OEOOBVQWHJCJKS-PZJWPPBQSA-N 1 1 349.453 3.651 20 30 EHEDMO CC[C@@H](C[N@@H+](CC)CC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000481734187 1042803448 /nfs/dbraw/zinc/80/34/48/1042803448.db2.gz JWCFNLFTZOUDMX-FQEVSTJZSA-N 1 1 349.478 3.690 20 30 EHEDMO C#CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C1CCCC1 ZINC000756912060 1042876542 /nfs/dbraw/zinc/87/65/42/1042876542.db2.gz TYCUKKOUECDGBF-UHFFFAOYSA-N 1 1 325.239 3.810 20 30 EHEDMO C#CC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C1CCCC1 ZINC000756912060 1042876545 /nfs/dbraw/zinc/87/65/45/1042876545.db2.gz TYCUKKOUECDGBF-UHFFFAOYSA-N 1 1 325.239 3.810 20 30 EHEDMO C=CCc1cc(C[NH2+]Cc2cccnc2Cl)cc(OC)c1OC ZINC000105478009 1042878578 /nfs/dbraw/zinc/87/85/78/1042878578.db2.gz RLNMSRZWKIWYAX-UHFFFAOYSA-N 1 1 332.831 3.771 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](C3CC3)C2)c1C ZINC000344011664 1043098044 /nfs/dbraw/zinc/09/80/44/1043098044.db2.gz MPTMBQOZOIVSSF-LJQANCHMSA-N 1 1 339.483 3.672 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000344012513 1043100468 /nfs/dbraw/zinc/10/04/68/1043100468.db2.gz UNFKSGHRDJOJFU-GDBMZVCRSA-N 1 1 343.496 3.751 20 30 EHEDMO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)CCO2 ZINC000344102942 1043254875 /nfs/dbraw/zinc/25/48/75/1043254875.db2.gz GBZBBJSXHOBWIC-KZULUSFZSA-N 1 1 326.371 3.880 20 30 EHEDMO C=CCCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000279089617 1043336540 /nfs/dbraw/zinc/33/65/40/1043336540.db2.gz FYUWUVVKSUNLTA-HKUYNNGSSA-N 1 1 329.488 3.647 20 30 EHEDMO C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000512200560 1044102693 /nfs/dbraw/zinc/10/26/93/1044102693.db2.gz ZCUSGFNBWNFRCA-DYESRHJHSA-N 1 1 347.462 3.648 20 30 EHEDMO C=CCC(C)(C)CNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000432594657 1044434563 /nfs/dbraw/zinc/43/45/63/1044434563.db2.gz UGUCPNGBLBMLMU-GOSISDBHSA-N 1 1 343.515 3.895 20 30 EHEDMO C[C@@H](c1ccccc1)[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000512274953 1044514416 /nfs/dbraw/zinc/51/44/16/1044514416.db2.gz CLKMMBXWQQRKNJ-KRWDZBQOSA-N 1 1 339.483 3.897 20 30 EHEDMO Cc1csc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000344884004 1044649718 /nfs/dbraw/zinc/64/97/18/1044649718.db2.gz BHDOBBPCNQQUDT-INIZCTEOSA-N 1 1 339.464 3.779 20 30 EHEDMO CC[C@@]1(C)CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000345005224 1044812871 /nfs/dbraw/zinc/81/28/71/1044812871.db2.gz BEGSGLOSEMBUQU-SFHVURJKSA-N 1 1 333.863 3.709 20 30 EHEDMO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)N(C)CCC#N ZINC000154408528 1125717822 /nfs/dbraw/zinc/71/78/22/1125717822.db2.gz WJZZOPMLBNYCRE-LBPRGKRZSA-N 1 1 342.270 3.576 20 30 EHEDMO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)cc1OC ZINC000623540673 1126980670 /nfs/dbraw/zinc/98/06/70/1126980670.db2.gz BRODIOCINABIDQ-SWLSCSKDSA-N 1 1 347.846 3.906 20 30 EHEDMO C=CC[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000623693058 1127022273 /nfs/dbraw/zinc/02/22/73/1127022273.db2.gz AZBXBQDAQUVFOJ-NLWGTHIKSA-N 1 1 341.499 3.505 20 30 EHEDMO C=CC[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000623699054 1127029530 /nfs/dbraw/zinc/02/95/30/1127029530.db2.gz HDVHHZWXEXBRIZ-NSHGMRRFSA-N 1 1 341.499 3.647 20 30 EHEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cccc(C#N)c3)cc2)C1 ZINC000073303463 1127237138 /nfs/dbraw/zinc/23/71/38/1127237138.db2.gz IIBXMWKRFGHYNV-MRXNPFEDSA-N 1 1 349.434 3.531 20 30 EHEDMO Clc1cc(Br)ccc1N=NC1CC[N@H+]2CCC[C@@H]12 ZINC000765583890 1127684627 /nfs/dbraw/zinc/68/46/27/1127684627.db2.gz IIIMCBZANCSCNM-ZDUSSCGKSA-N 1 1 328.641 3.739 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000172395053 1127938249 /nfs/dbraw/zinc/93/82/49/1127938249.db2.gz KJFYRFYKSATUGB-QGZVFWFLSA-N 1 1 335.451 3.588 20 30 EHEDMO COc1cccc([C@@H]2[C@H](NCc3ccccc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000338634363 1127941701 /nfs/dbraw/zinc/94/17/01/1127941701.db2.gz WTTJZLDAFPJFTR-FGZHOGPDSA-N 1 1 347.462 3.634 20 30 EHEDMO COc1cccc([C@@H]2[C@H](NCc3ccccc3C#N)CC[N@H+]2C2CC2)c1 ZINC000338634363 1127941703 /nfs/dbraw/zinc/94/17/03/1127941703.db2.gz WTTJZLDAFPJFTR-FGZHOGPDSA-N 1 1 347.462 3.634 20 30 EHEDMO COc1cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)ccc1C#N ZINC000282214195 1128087742 /nfs/dbraw/zinc/08/77/42/1128087742.db2.gz HNVLOPBDFQTPJY-IAGOWNOFSA-N 1 1 342.464 3.716 20 30 EHEDMO N#Cc1ccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000301272069 1128581547 /nfs/dbraw/zinc/58/15/47/1128581547.db2.gz HXGUXXVTTAHEDF-KRWDZBQOSA-N 1 1 336.395 3.543 20 30 EHEDMO N#Cc1cccc(NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)n1 ZINC000301296939 1128582804 /nfs/dbraw/zinc/58/28/04/1128582804.db2.gz YIFVLPLRPUTLOB-INIZCTEOSA-N 1 1 344.821 3.995 20 30 EHEDMO COc1cccc([C@@H](C)[NH+]2CCN(c3ccc(F)cc3C#N)CC2)c1 ZINC000301394712 1128589713 /nfs/dbraw/zinc/58/97/13/1128589713.db2.gz DPDQCMHZTFWDIQ-OAHLLOKOSA-N 1 1 339.414 3.589 20 30 EHEDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)C[N@H+]1Cc1ccccc1 ZINC000301600068 1128597818 /nfs/dbraw/zinc/59/78/18/1128597818.db2.gz CXKMKCRMWLFHMB-RHSMWYFYSA-N 1 1 336.395 3.541 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(Cl)c(C#N)n1 ZINC000301601377 1128597975 /nfs/dbraw/zinc/59/79/75/1128597975.db2.gz VLDIBKAAZRYFQU-WMLDXEAASA-N 1 1 340.858 3.929 20 30 EHEDMO Cc1cc(C)c2ncc(C#N)c(N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c2c1 ZINC000301655733 1128601676 /nfs/dbraw/zinc/60/16/76/1128601676.db2.gz AUWSECSKLCTTSQ-APWZRJJASA-N 1 1 334.467 3.644 20 30 EHEDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000301719883 1128603103 /nfs/dbraw/zinc/60/31/03/1128603103.db2.gz PMMMWMOGCNFKET-CYBMUJFWSA-N 1 1 348.372 3.770 20 30 EHEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CCCC4(CCCCC4)C3)C2=O)cc1 ZINC000554077937 1128611448 /nfs/dbraw/zinc/61/14/48/1128611448.db2.gz YLTRCQOADLUGBU-IBGZPJMESA-N 1 1 337.467 3.710 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNc1snc(Cl)c1C#N)C1CC1 ZINC000302406295 1128631866 /nfs/dbraw/zinc/63/18/66/1128631866.db2.gz HSDRBZZVRFKLNX-HNNXBMFYSA-N 1 1 346.887 3.991 20 30 EHEDMO N#Cc1nc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)ccc1Cl ZINC000302615724 1128638892 /nfs/dbraw/zinc/63/88/92/1128638892.db2.gz CJYRYQOOWLSKOL-UHFFFAOYSA-N 1 1 347.249 3.730 20 30 EHEDMO N#Cc1nc(NCC[N@H+]2CCc3c(Cl)cccc3C2)ccc1Cl ZINC000302615724 1128638894 /nfs/dbraw/zinc/63/88/94/1128638894.db2.gz CJYRYQOOWLSKOL-UHFFFAOYSA-N 1 1 347.249 3.730 20 30 EHEDMO C[C@@H]1C[C@H](Nc2c(C#N)cccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000302885874 1128653256 /nfs/dbraw/zinc/65/32/56/1128653256.db2.gz MQLKNPNNORMNQX-OXQOHEQNSA-N 1 1 330.435 3.895 20 30 EHEDMO N#Cc1c(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cn2ccccc12 ZINC000303712306 1128689815 /nfs/dbraw/zinc/68/98/15/1128689815.db2.gz QAPPRCJYUVETBM-UHFFFAOYSA-N 1 1 349.409 3.993 20 30 EHEDMO COc1ccc([C@@H]2C[C@@H]([N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)CCO2)cc1 ZINC001168661968 1128728345 /nfs/dbraw/zinc/72/83/45/1128728345.db2.gz CJKUXIKKUKJKMS-OMNJKAEPSA-N 1 1 326.440 3.682 20 30 EHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCCN(c3ccccc3F)CC2)c1 ZINC000513386433 1128764391 /nfs/dbraw/zinc/76/43/91/1128764391.db2.gz LGXCPFZXONVNIB-UHFFFAOYSA-N 1 1 327.378 3.549 20 30 EHEDMO N#Cc1ccc(F)c(C[N@H+]2CCCN(c3ccccc3F)CC2)c1 ZINC000513386433 1128764394 /nfs/dbraw/zinc/76/43/94/1128764394.db2.gz LGXCPFZXONVNIB-UHFFFAOYSA-N 1 1 327.378 3.549 20 30 EHEDMO CC(C)[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000428842984 1128772110 /nfs/dbraw/zinc/77/21/10/1128772110.db2.gz SHSKWLFYJJTQKT-XLIONFOSSA-N 1 1 338.451 3.770 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](C)CC1 ZINC000063302643 1128868532 /nfs/dbraw/zinc/86/85/32/1128868532.db2.gz RAEMXWATVAOPIL-OLZOCXBDSA-N 1 1 331.485 3.557 20 30 EHEDMO N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000309667504 1128911772 /nfs/dbraw/zinc/91/17/72/1128911772.db2.gz QLWDGQHIXHJWRS-KRWDZBQOSA-N 1 1 325.481 3.622 20 30 EHEDMO N#Cc1ccc(C[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000309667504 1128911780 /nfs/dbraw/zinc/91/17/80/1128911780.db2.gz QLWDGQHIXHJWRS-KRWDZBQOSA-N 1 1 325.481 3.622 20 30 EHEDMO CC(C)OC(=O)C[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000184482677 1120377319 /nfs/dbraw/zinc/37/73/19/1120377319.db2.gz UOZLNRYHJGPYIA-QGZVFWFLSA-N 1 1 333.859 3.745 20 30 EHEDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000184482677 1120377324 /nfs/dbraw/zinc/37/73/24/1120377324.db2.gz UOZLNRYHJGPYIA-QGZVFWFLSA-N 1 1 333.859 3.745 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309789434 1128914708 /nfs/dbraw/zinc/91/47/08/1128914708.db2.gz OGRJWTNTVDLIEM-WBVHZDCISA-N 1 1 325.481 3.620 20 30 EHEDMO C[C@@H]1[C@@H](Nc2nccc(C#N)c2Cl)CC[N@H+]1Cc1ccccc1 ZINC000309916779 1128917617 /nfs/dbraw/zinc/91/76/17/1128917617.db2.gz UNSNOTAUOXUFGN-CJNGLKHVSA-N 1 1 326.831 3.682 20 30 EHEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000609201494 1120556315 /nfs/dbraw/zinc/55/63/15/1120556315.db2.gz JHSFATKMFZJEBB-MRXNPFEDSA-N 1 1 335.407 3.549 20 30 EHEDMO C=C[C@](C)(CC)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000190431422 1120638035 /nfs/dbraw/zinc/63/80/35/1120638035.db2.gz CUEPHSPTQSIKFX-LLGFUMIMSA-N 1 1 344.499 3.514 20 30 EHEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(-c2ccccc2)cc1 ZINC000153284501 1120937324 /nfs/dbraw/zinc/93/73/24/1120937324.db2.gz XCZTUFYOAXBGJD-UHFFFAOYSA-N 1 1 345.450 3.595 20 30 EHEDMO C[C@@H]1CC[C@](CO)([N@@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000495197091 1120986615 /nfs/dbraw/zinc/98/66/15/1120986615.db2.gz TWHMDQDBNCCKEI-PBHICJAKSA-N 1 1 325.374 3.540 20 30 EHEDMO COc1ccc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000272231032 1121102436 /nfs/dbraw/zinc/10/24/36/1121102436.db2.gz UQBUMHWOEFXPTH-XLIONFOSSA-N 1 1 349.478 3.567 20 30 EHEDMO COc1ccc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000272231032 1121102439 /nfs/dbraw/zinc/10/24/39/1121102439.db2.gz UQBUMHWOEFXPTH-XLIONFOSSA-N 1 1 349.478 3.567 20 30 EHEDMO Cc1c(Cl)cccc1N[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000915051474 1121151246 /nfs/dbraw/zinc/15/12/46/1121151246.db2.gz WFVUFQBAMNSPKB-UHFFFAOYSA-N 1 1 329.831 3.931 20 30 EHEDMO Cc1ccc2ncc(C#N)c(N3CC[NH+](Cc4cccs4)CC3)c2c1 ZINC000487901281 1121158266 /nfs/dbraw/zinc/15/82/66/1121158266.db2.gz XEZXTHQZBCNNLI-UHFFFAOYSA-N 1 1 348.475 3.799 20 30 EHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000282110756 1121265599 /nfs/dbraw/zinc/26/55/99/1121265599.db2.gz WZEFFQANVIFYIV-HXUWFJFHSA-N 1 1 341.499 3.688 20 30 EHEDMO C=CCNC(=O)C[N@@H+]([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000064932828 1128979539 /nfs/dbraw/zinc/97/95/39/1128979539.db2.gz FZWCAMTVTUBPMU-LBPRGKRZSA-N 1 1 326.362 3.533 20 30 EHEDMO C=CCNC(=O)C[N@H+]([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000064932828 1128979543 /nfs/dbraw/zinc/97/95/43/1128979543.db2.gz FZWCAMTVTUBPMU-LBPRGKRZSA-N 1 1 326.362 3.533 20 30 EHEDMO C[C@H](Cc1cccc(F)c1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC001168494806 1121498421 /nfs/dbraw/zinc/49/84/21/1121498421.db2.gz DCBKFPUDZLRFQP-OAHLLOKOSA-N 1 1 341.405 3.590 20 30 EHEDMO Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000488013378 1121611700 /nfs/dbraw/zinc/61/17/00/1121611700.db2.gz WHOZTOIHPPCHBQ-PGRDOPGGSA-N 1 1 333.479 3.867 20 30 EHEDMO Cc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000488013378 1121611703 /nfs/dbraw/zinc/61/17/03/1121611703.db2.gz WHOZTOIHPPCHBQ-PGRDOPGGSA-N 1 1 333.479 3.867 20 30 EHEDMO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000496124553 1121704105 /nfs/dbraw/zinc/70/41/05/1121704105.db2.gz YPEPURYGOGMNQR-INIZCTEOSA-N 1 1 337.508 3.943 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2cccc3[nH]ccc32)CC1 ZINC000091792608 1121747642 /nfs/dbraw/zinc/74/76/42/1121747642.db2.gz KKAJKFLQZBOXOI-UHFFFAOYSA-N 1 1 330.435 3.752 20 30 EHEDMO N#Cc1cnc2ccccc2c1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390700615 1129016961 /nfs/dbraw/zinc/01/69/61/1129016961.db2.gz LCZXZFNCOCLWOI-LJQANCHMSA-N 1 1 342.446 3.605 20 30 EHEDMO C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496386164 1122070125 /nfs/dbraw/zinc/07/01/25/1122070125.db2.gz KVPCGOYUDDYVAZ-HZPDHXFCSA-N 1 1 337.508 3.799 20 30 EHEDMO C#Cc1ccc(C[N@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000496419358 1122077040 /nfs/dbraw/zinc/07/70/40/1122077040.db2.gz KJUSOACBVKMOGI-MRXNPFEDSA-N 1 1 334.419 3.818 20 30 EHEDMO Cc1nc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1C#N ZINC000488089036 1122095866 /nfs/dbraw/zinc/09/58/66/1122095866.db2.gz ZGYZEJNCMDHWAZ-RTWAWAEBSA-N 1 1 346.478 3.753 20 30 EHEDMO Cc1nc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1C#N ZINC000488093058 1122096393 /nfs/dbraw/zinc/09/63/93/1122096393.db2.gz FWURETXQKIHDOW-UHFFFAOYSA-N 1 1 346.478 3.754 20 30 EHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000496987761 1122241363 /nfs/dbraw/zinc/24/13/63/1122241363.db2.gz UMYXQTPRXFRASV-HZPDHXFCSA-N 1 1 337.508 3.942 20 30 EHEDMO CC1CCC([N@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000917054157 1122450757 /nfs/dbraw/zinc/45/07/57/1122450757.db2.gz VYSCTIJQEYCZGJ-YMAMQOFZSA-N 1 1 341.480 3.983 20 30 EHEDMO CC1CCC([N@@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000917054157 1122450759 /nfs/dbraw/zinc/45/07/59/1122450759.db2.gz VYSCTIJQEYCZGJ-YMAMQOFZSA-N 1 1 341.480 3.983 20 30 EHEDMO C=CC[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)C(C)C ZINC000917168133 1122543599 /nfs/dbraw/zinc/54/35/99/1122543599.db2.gz PCPOAIDVOBMSAE-UHFFFAOYSA-N 1 1 337.467 3.680 20 30 EHEDMO C[C@H](c1ccc(F)c(F)c1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000497488848 1122563710 /nfs/dbraw/zinc/56/37/10/1122563710.db2.gz JZXRLDHUMLZQOO-OAHLLOKOSA-N 1 1 341.405 3.715 20 30 EHEDMO CC[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000497599337 1122604945 /nfs/dbraw/zinc/60/49/45/1122604945.db2.gz APHBGWDESGUTND-DLBZAZTESA-N 1 1 329.488 3.834 20 30 EHEDMO C#CC[N@H+](Cc1cc(OC)c(O)c(OC)c1)[C@H]1CCc2ccccc21 ZINC000917456487 1122611979 /nfs/dbraw/zinc/61/19/79/1122611979.db2.gz JJOUGGYPHFPIKW-SFHVURJKSA-N 1 1 337.419 3.532 20 30 EHEDMO CC(C)(C#N)CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000497783968 1122665584 /nfs/dbraw/zinc/66/55/84/1122665584.db2.gz RMXFUXHKQLUOLD-KRWDZBQOSA-N 1 1 347.890 3.751 20 30 EHEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072687072 1123142171 /nfs/dbraw/zinc/14/21/71/1123142171.db2.gz ZNDKTDOOWPKKRR-LSDHHAIUSA-N 1 1 331.485 3.751 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)CCn2cc[nH+]c2C(C)C)c1 ZINC000073308069 1123195935 /nfs/dbraw/zinc/19/59/35/1123195935.db2.gz QXVQNOWSKUAPJM-UHFFFAOYSA-N 1 1 327.428 3.990 20 30 EHEDMO CC[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCN1CC(F)F ZINC000499240706 1123293116 /nfs/dbraw/zinc/29/31/16/1123293116.db2.gz BHFIWUHYQBGNPN-MRXNPFEDSA-N 1 1 335.442 3.649 20 30 EHEDMO C=CCn1c(-c2cccnc2)nn(C[N@@H+](CC)C[C@@H](C)CC)c1=S ZINC000174947920 1123558112 /nfs/dbraw/zinc/55/81/12/1123558112.db2.gz ZYFYLWNNCZTNSW-HNNXBMFYSA-N 1 1 345.516 3.988 20 30 EHEDMO C=CCn1c(-c2cccnc2)nn(C[N@H+](CC)C[C@@H](C)CC)c1=S ZINC000174947920 1123558116 /nfs/dbraw/zinc/55/81/16/1123558116.db2.gz ZYFYLWNNCZTNSW-HNNXBMFYSA-N 1 1 345.516 3.988 20 30 EHEDMO Cc1ccc(C)c(OC[C@@H](O)C[N@H+](CCC#N)CC(C)(C)C)c1C ZINC000609540077 1123607352 /nfs/dbraw/zinc/60/73/52/1123607352.db2.gz VHZXDCIEFBTKKJ-SFHVURJKSA-N 1 1 332.488 3.613 20 30 EHEDMO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](CCC#N)CC(C)(C)C)c1C ZINC000609540077 1123607356 /nfs/dbraw/zinc/60/73/56/1123607356.db2.gz VHZXDCIEFBTKKJ-SFHVURJKSA-N 1 1 332.488 3.613 20 30 EHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc2ccccc2[nH]c1=O ZINC000078640792 1123643723 /nfs/dbraw/zinc/64/37/23/1123643723.db2.gz VIYYARRWTZUMAI-UHFFFAOYSA-N 1 1 329.403 3.588 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1cccc(C#N)c1 ZINC000610141077 1123735164 /nfs/dbraw/zinc/73/51/64/1123735164.db2.gz RSWYZOHKQCSDOU-KRWDZBQOSA-N 1 1 348.450 3.687 20 30 EHEDMO COc1ccc(-c2nc(CO[NH+]=C(N)C3CCCCC3)co2)cc1 ZINC000067953902 1123792250 /nfs/dbraw/zinc/79/22/50/1123792250.db2.gz KGSUUQPZCCBLSA-UHFFFAOYSA-N 1 1 329.400 3.719 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245466270 1123840349 /nfs/dbraw/zinc/84/03/49/1123840349.db2.gz RAONTIWKXZVDJM-QLFBSQMISA-N 1 1 331.485 3.892 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245466270 1123840357 /nfs/dbraw/zinc/84/03/57/1123840357.db2.gz RAONTIWKXZVDJM-QLFBSQMISA-N 1 1 331.485 3.892 20 30 EHEDMO C=CCSc1ccccc1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000616999815 1124068223 /nfs/dbraw/zinc/06/82/23/1124068223.db2.gz OGHYAYUESTZYMI-OAHLLOKOSA-N 1 1 332.513 3.815 20 30 EHEDMO C=CC[C@@H](NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)c1ccncc1 ZINC000734661830 1131266164 /nfs/dbraw/zinc/26/61/64/1131266164.db2.gz RQVJTFUTSFSYLW-FUHWJXTLSA-N 1 1 344.503 3.509 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(Oc3ccccc3)nc2)no1 ZINC001212327171 1124678893 /nfs/dbraw/zinc/67/88/93/1124678893.db2.gz QKWGNADKMWCRGK-INIZCTEOSA-N 1 1 334.379 3.727 20 30 EHEDMO C=CCC[C@H](C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)c1ccccc1 ZINC000249136423 1124740480 /nfs/dbraw/zinc/74/04/80/1124740480.db2.gz HOFIJYAJCIDXQQ-UFYCRDLUSA-N 1 1 326.484 3.679 20 30 EHEDMO COc1cc(C[N@@H+](CC#Cc2ccc(F)cc2)C2CC2)ccc1O ZINC000089974775 1124879054 /nfs/dbraw/zinc/87/90/54/1124879054.db2.gz FSECQDNSHGHRAT-UHFFFAOYSA-N 1 1 325.383 3.556 20 30 EHEDMO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)N1CCC(C)CC1 ZINC000181486557 1124885758 /nfs/dbraw/zinc/88/57/58/1124885758.db2.gz CCUBAVNIKIGVMK-WIYYLYMNSA-N 1 1 343.515 3.996 20 30 EHEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1cn[nH]c1 ZINC000618287128 1125037057 /nfs/dbraw/zinc/03/70/57/1125037057.db2.gz BEGAAHGLUTVPKF-UHFFFAOYSA-N 1 1 330.435 3.741 20 30 EHEDMO N#Cc1ccc2ncc(C[NH+]3CCC(OC4CCCCC4)CC3)n2c1 ZINC000092736042 1125158980 /nfs/dbraw/zinc/15/89/80/1125158980.db2.gz YNANGXZZZXIQQH-UHFFFAOYSA-N 1 1 338.455 3.520 20 30 EHEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1nccn1Cc1ccccc1 ZINC000618741633 1125178794 /nfs/dbraw/zinc/17/87/94/1125178794.db2.gz IEHPXEJJTRGUJF-FQEVSTJZSA-N 1 1 328.419 3.580 20 30 EHEDMO CC(=O)N1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C(C)(C)C1 ZINC000182218657 1125214491 /nfs/dbraw/zinc/21/44/91/1125214491.db2.gz DERDTMOEJWCBLT-UHFFFAOYSA-N 1 1 347.462 3.668 20 30 EHEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000093281469 1125215657 /nfs/dbraw/zinc/21/56/57/1125215657.db2.gz PHMOORBTZVZDLD-QGZVFWFLSA-N 1 1 344.499 3.626 20 30 EHEDMO Cc1nc(N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)sc1C ZINC000182744115 1125360576 /nfs/dbraw/zinc/36/05/76/1125360576.db2.gz ZGNOCVHSLKRODB-CQSZACIVSA-N 1 1 326.469 3.515 20 30 EHEDMO C=CCN(C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)c1ccccc1 ZINC000619575653 1125367369 /nfs/dbraw/zinc/36/73/69/1125367369.db2.gz SLDUKNLBBSEJQP-UHFFFAOYSA-N 1 1 335.451 3.826 20 30 EHEDMO COc1cc(CN2CCC(C[NH+]3CCCCCC3)CC2)ccc1C#N ZINC000619674215 1125380451 /nfs/dbraw/zinc/38/04/51/1125380451.db2.gz WBNGIYVWRVCKKQ-UHFFFAOYSA-N 1 1 341.499 3.655 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000619724625 1125389154 /nfs/dbraw/zinc/38/91/54/1125389154.db2.gz NRJZGNKAORFFHZ-QGZVFWFLSA-N 1 1 335.451 3.518 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000619724625 1125389157 /nfs/dbraw/zinc/38/91/57/1125389157.db2.gz NRJZGNKAORFFHZ-QGZVFWFLSA-N 1 1 335.451 3.518 20 30 EHEDMO COc1ccccc1/C=C\C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000619726184 1125390573 /nfs/dbraw/zinc/39/05/73/1125390573.db2.gz RSHPQSAHKPJPDC-VURMDHGXSA-N 1 1 333.435 3.661 20 30 EHEDMO C=CCN(C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)C(C)C ZINC000735575734 1131359280 /nfs/dbraw/zinc/35/92/80/1131359280.db2.gz XDRGPUHDPPCKPV-MRXNPFEDSA-N 1 1 331.460 3.508 20 30 EHEDMO CC[N@@H+](CCCc1ccc(Br)cc1OC)C[C@H](C)C#N ZINC000543130181 1129265608 /nfs/dbraw/zinc/26/56/08/1129265608.db2.gz WGQZXASMNMLQOC-CYBMUJFWSA-N 1 1 339.277 3.872 20 30 EHEDMO C=CC[C@@H](CC)NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000466378399 1129409718 /nfs/dbraw/zinc/40/97/18/1129409718.db2.gz LYYHTDRWPKZPQL-PKOBYXMFSA-N 1 1 329.488 3.647 20 30 EHEDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H]1C ZINC000533296197 1129468995 /nfs/dbraw/zinc/46/89/95/1129468995.db2.gz VREJGIAWMSELKT-ZIAGYGMSSA-N 1 1 345.512 3.948 20 30 EHEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000261386464 1129521963 /nfs/dbraw/zinc/52/19/63/1129521963.db2.gz BVMSRACUVDSADR-QFBILLFUSA-N 1 1 342.487 3.573 20 30 EHEDMO N#Cc1cccc(OC2CC[NH+](Cc3cc(F)cc(F)c3)CC2)c1 ZINC000092034210 1129530518 /nfs/dbraw/zinc/53/05/18/1129530518.db2.gz UIKAYXWKTOKUGU-UHFFFAOYSA-N 1 1 328.362 3.880 20 30 EHEDMO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(F)c(C#N)c1 ZINC000274825971 1129533693 /nfs/dbraw/zinc/53/36/93/1129533693.db2.gz KZKRISDZCJAVPQ-KKSFZXQISA-N 1 1 337.442 3.698 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(F)c(C#N)c1 ZINC000274825971 1129533696 /nfs/dbraw/zinc/53/36/96/1129533696.db2.gz KZKRISDZCJAVPQ-KKSFZXQISA-N 1 1 337.442 3.698 20 30 EHEDMO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000274825971 1129533699 /nfs/dbraw/zinc/53/36/99/1129533699.db2.gz KZKRISDZCJAVPQ-KKSFZXQISA-N 1 1 337.442 3.698 20 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335.517 3.566 20 30 EHEDMO C=CCC[C@H]1CCC[N@@H+]1CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC001198407134 1135811367 /nfs/dbraw/zinc/81/13/67/1135811367.db2.gz QOVOAAWNXZVHOB-RXVVDRJESA-N 1 1 342.483 3.693 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC001198458842 1135817555 /nfs/dbraw/zinc/81/75/55/1135817555.db2.gz YAYBBFSEIZTVQT-HZSPNIEDSA-N 1 1 325.378 3.576 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC001198458842 1135817560 /nfs/dbraw/zinc/81/75/60/1135817560.db2.gz YAYBBFSEIZTVQT-HZSPNIEDSA-N 1 1 325.378 3.576 20 30 EHEDMO C#Cc1ccc(C[NH2+][C@H](CCO)c2ccccc2Br)cc1 ZINC000809638129 1135864081 /nfs/dbraw/zinc/86/40/81/1135864081.db2.gz ZBBMXVZJVJLIBL-GOSISDBHSA-N 1 1 344.252 3.644 20 30 EHEDMO C#C[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)c1ccc(Cl)cc1F ZINC000809699003 1135868976 /nfs/dbraw/zinc/86/89/76/1135868976.db2.gz JRNFPDRLTULQFL-HNNXBMFYSA-N 1 1 349.789 3.666 20 30 EHEDMO C#Cc1ccc(C[NH2+]Cc2cc(F)c(F)cc2Br)cc1 ZINC000809710321 1135875738 /nfs/dbraw/zinc/87/57/38/1135875738.db2.gz PTWFECQUNQXOMK-UHFFFAOYSA-N 1 1 336.179 3.998 20 30 EHEDMO C=CCOc1ccc(CNC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1OC ZINC001199295604 1135893348 /nfs/dbraw/zinc/89/33/48/1135893348.db2.gz KLDOROCCVZVZNJ-SJORKVTESA-N 1 1 332.488 3.613 20 30 EHEDMO C=CCOc1ccc(CNC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1OC ZINC001199295604 1135893352 /nfs/dbraw/zinc/89/33/52/1135893352.db2.gz KLDOROCCVZVZNJ-SJORKVTESA-N 1 1 332.488 3.613 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Br)nc1 ZINC000810216736 1135938967 /nfs/dbraw/zinc/93/89/67/1135938967.db2.gz NJDVVTJDASJHTA-SNVBAGLBSA-N 1 1 334.192 3.706 20 30 EHEDMO N#Cc1cccc(N2C[C@]3(CC[N@@H+](CC4CCCCC4)C3)CC2=O)c1 ZINC001201397573 1136012285 /nfs/dbraw/zinc/01/22/85/1136012285.db2.gz MTAOCZGVDPMCTD-OAQYLSRUSA-N 1 1 337.467 3.567 20 30 EHEDMO Cc1ncc(C#N)cc1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201475766 1136032504 /nfs/dbraw/zinc/03/25/04/1136032504.db2.gz VRNBNMMQPUIUIP-UXHICEINSA-N 1 1 330.435 3.994 20 30 EHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](CCCc1ccccc1)C2 ZINC001201660137 1136053264 /nfs/dbraw/zinc/05/32/64/1136053264.db2.gz HTEKNGLOCYBBCR-NHCUHLMSSA-N 1 1 329.484 3.693 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@H]2COC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001201797670 1136063864 /nfs/dbraw/zinc/06/38/64/1136063864.db2.gz BVGAKWINXOALLS-DLBZAZTESA-N 1 1 340.508 3.667 20 30 EHEDMO CCCCCCCC[N@H+]1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001201814291 1136065138 /nfs/dbraw/zinc/06/51/38/1136065138.db2.gz NJDLTTHOXBDNHD-XUVXKRRUSA-N 1 1 332.488 3.658 20 30 EHEDMO CCCCCCCCC[N@@H+](CCOC)C1CCN(C(C)=O)CC1 ZINC001201847507 1136070619 /nfs/dbraw/zinc/07/06/19/1136070619.db2.gz WMLSQSMFMQLKQW-UHFFFAOYSA-N 1 1 326.525 3.696 20 30 EHEDMO c1ccc(C[N@@H+]2C[C@@H]3CCCC(=NNC[C@@H]4CCSC4)[C@H]3C2)cc1 ZINC000811660933 1136118581 /nfs/dbraw/zinc/11/85/81/1136118581.db2.gz BNNIEJCWOUYXMA-FHWLQOOXSA-N 1 1 343.540 3.617 20 30 EHEDMO CCCC[N@@H+](C)C[C@@H](C)NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000811705759 1136122553 /nfs/dbraw/zinc/12/25/53/1136122553.db2.gz PDCUEUCITKYADB-GFCCVEGCSA-N 1 1 338.908 3.618 20 30 EHEDMO CCC[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000265917949 1136147137 /nfs/dbraw/zinc/14/71/37/1136147137.db2.gz ZGOHDZZVPDUVOB-OTWHNJEPSA-N 1 1 328.456 3.614 20 30 EHEDMO C#C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC000812352267 1136197138 /nfs/dbraw/zinc/19/71/38/1136197138.db2.gz IUNLCUBXXUJMRQ-ROUUACIJSA-N 1 1 330.859 3.538 20 30 EHEDMO COc1cccc(O)c1/C=N\C[C@H](c1ccccc1Cl)[NH+](C)C ZINC000812395531 1136203478 /nfs/dbraw/zinc/20/34/78/1136203478.db2.gz CGUWEDVAONYSRL-IWEBCOIVSA-N 1 1 332.831 3.776 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1ccc(F)cc1 ZINC000812792906 1136251614 /nfs/dbraw/zinc/25/16/14/1136251614.db2.gz KSOSZMYKKAXETQ-GOSISDBHSA-N 1 1 325.383 3.935 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812834395 1136256905 /nfs/dbraw/zinc/25/69/05/1136256905.db2.gz DISFEIYARJSEKH-SFHVURJKSA-N 1 1 343.471 3.602 20 30 EHEDMO C[C@H](CC(C)(C)C#N)OC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000851206873 1136351109 /nfs/dbraw/zinc/35/11/09/1136351109.db2.gz QMQOUZYHHAQZSQ-LLVKDONJSA-N 1 1 348.353 3.690 20 30 EHEDMO CCc1nc(C[NH+]2CCC(C/N=C/c3ccccc3O)CC2)cs1 ZINC000110129581 1136399505 /nfs/dbraw/zinc/39/95/05/1136399505.db2.gz LDZFITRLHQMEQF-UDWIEESQSA-N 1 1 343.496 3.742 20 30 EHEDMO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000852098184 1136433008 /nfs/dbraw/zinc/43/30/08/1136433008.db2.gz HDJPSCPZYLIGTG-SYTFOFBDSA-N 1 1 343.496 3.974 20 30 EHEDMO C[N@@H+](CCSc1cccc(Cl)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000852210734 1136440864 /nfs/dbraw/zinc/44/08/64/1136440864.db2.gz KQUMVPAZGMKKOG-GOSISDBHSA-N 1 1 346.883 3.969 20 30 EHEDMO C[C@H](CC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1)OCc1ccccc1 ZINC000852331904 1136449870 /nfs/dbraw/zinc/44/98/70/1136449870.db2.gz NBHAZGUARWXOGA-DENIHFKCSA-N 1 1 349.478 3.934 20 30 EHEDMO C[C@H](CC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1)OCc1ccccc1 ZINC000852331904 1136449876 /nfs/dbraw/zinc/44/98/76/1136449876.db2.gz NBHAZGUARWXOGA-DENIHFKCSA-N 1 1 349.478 3.934 20 30 EHEDMO CC(C)[C@H](CC[N@@H+](C)CCC(C)(C)C#N)NC(=O)OC(C)(C)C ZINC000776593576 1136454351 /nfs/dbraw/zinc/45/43/51/1136454351.db2.gz YAQMWRLHQQZDDV-HNNXBMFYSA-N 1 1 325.497 3.797 20 30 EHEDMO N#Cc1cnc2cc(N[C@@H](Cc3ccccc3)C[NH+]3CCCC3)c[nH]c1-2 ZINC001170752321 1136473644 /nfs/dbraw/zinc/47/36/44/1136473644.db2.gz NMXBARJZADVIJC-IBGZPJMESA-N 1 1 345.450 3.554 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000852685989 1136478036 /nfs/dbraw/zinc/47/80/36/1136478036.db2.gz NUVKPFKFGZDHBX-RLLQIKCJSA-N 1 1 337.467 3.813 20 30 EHEDMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CC[C@H]1F ZINC000852738965 1136482542 /nfs/dbraw/zinc/48/25/42/1136482542.db2.gz GEXMXOQGNSGZTF-HUUCEWRRSA-N 1 1 341.471 3.644 20 30 EHEDMO CCCCCCCC[C@@H](C)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000852878504 1136491959 /nfs/dbraw/zinc/49/19/59/1136491959.db2.gz PIHDEFZNBOATOH-MJGOQNOKSA-N 1 1 331.504 3.941 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C[C@@H](c2cccc(Cl)c2)CC1=O ZINC000853598051 1136547669 /nfs/dbraw/zinc/54/76/69/1136547669.db2.gz IOAZFMLUTBOZDV-RYQLBKOJSA-N 1 1 330.859 3.796 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(N(C)CC)cc1 ZINC000815117419 1136551906 /nfs/dbraw/zinc/55/19/06/1136551906.db2.gz MDKNNEWEGAFXAT-UHFFFAOYSA-N 1 1 328.456 3.806 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ncc(CSC)s2)c1 ZINC000815127148 1136554516 /nfs/dbraw/zinc/55/45/16/1136554516.db2.gz XHHVGKUXRNTUKO-CQSZACIVSA-N 1 1 347.509 3.977 20 30 EHEDMO Cn1ncc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)c1Cl ZINC000815135344 1136560635 /nfs/dbraw/zinc/56/06/35/1136560635.db2.gz NPNNAZQKEHXUGU-UHFFFAOYSA-N 1 1 336.826 3.902 20 30 EHEDMO Cc1cc(C#N)ccc1COC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000815446662 1136595959 /nfs/dbraw/zinc/59/59/59/1136595959.db2.gz AYUQSPUXZPWCCF-IBGZPJMESA-N 1 1 326.440 3.707 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000776799382 1136678517 /nfs/dbraw/zinc/67/85/17/1136678517.db2.gz QPLXQKORDQAUIW-CRAIPNDOSA-N 1 1 343.471 3.602 20 30 EHEDMO N#CCCC[C@H]([NH2+]Cc1ncc(C2OCCO2)s1)c1ccccc1 ZINC000816627216 1136739204 /nfs/dbraw/zinc/73/92/04/1136739204.db2.gz HVHISVFHXKESRJ-HNNXBMFYSA-N 1 1 343.452 3.713 20 30 EHEDMO COC(=O)C1(C#N)CC[NH+](Cc2ccc(Cl)c3ccccc23)CC1 ZINC000817276752 1136793268 /nfs/dbraw/zinc/79/32/68/1136793268.db2.gz OBTNBJPPAXHHSO-UHFFFAOYSA-N 1 1 342.826 3.772 20 30 EHEDMO C#CC[C@@H](NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)c1ccccc1 ZINC000857164959 1136849039 /nfs/dbraw/zinc/84/90/39/1136849039.db2.gz ONSXCLJSPUCUQB-FGZHOGPDSA-N 1 1 346.474 3.990 20 30 EHEDMO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000266007312 1136869122 /nfs/dbraw/zinc/86/91/22/1136869122.db2.gz QSZLGUBPXBMXIN-NRFANRHFSA-N 1 1 338.451 3.608 20 30 EHEDMO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)nn1 ZINC000818347347 1136875038 /nfs/dbraw/zinc/87/50/38/1136875038.db2.gz RBYUVSUJJZFMLT-KRWDZBQOSA-N 1 1 339.487 3.695 20 30 EHEDMO N#CCCC[C@@H]([NH3+])c1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000818382340 1136876858 /nfs/dbraw/zinc/87/68/58/1136876858.db2.gz ZXOCFHPGPBMWSI-QGZVFWFLSA-N 1 1 332.407 3.943 20 30 EHEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170946261 1136988065 /nfs/dbraw/zinc/98/80/65/1136988065.db2.gz LSWXIGIGFJWKKU-CVEARBPZSA-N 1 1 348.874 3.574 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000859416334 1137014226 /nfs/dbraw/zinc/01/42/26/1137014226.db2.gz FVDBRFCFFCJUGP-PXNSSMCTSA-N 1 1 342.389 3.749 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000859416333 1137014316 /nfs/dbraw/zinc/01/43/16/1137014316.db2.gz FVDBRFCFFCJUGP-FXAWDEMLSA-N 1 1 342.389 3.749 20 30 EHEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SC(F)F)C1 ZINC000859443337 1137015145 /nfs/dbraw/zinc/01/51/45/1137015145.db2.gz DADFIVHQODSUDK-LBPRGKRZSA-N 1 1 326.412 3.838 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2nc3ccc(Br)cc3s2)C1 ZINC000862445133 1137145366 /nfs/dbraw/zinc/14/53/66/1137145366.db2.gz MKPWPPZCFPZIEB-NSHDSACASA-N 1 1 335.270 3.904 20 30 EHEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc2ccc(C)cc2c1 ZINC001171072857 1137162832 /nfs/dbraw/zinc/16/28/32/1137162832.db2.gz ZFWCRZSXZHEOEC-IBGZPJMESA-N 1 1 326.440 3.787 20 30 EHEDMO C=CC[NH+]1CCN(Cc2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC001143704821 1137192554 /nfs/dbraw/zinc/19/25/54/1137192554.db2.gz WCLMZLNJTALTJB-UHFFFAOYSA-N 1 1 334.769 3.542 20 30 EHEDMO C=CC[N@@H+](C)Cc1ccc(Br)cc1SC(=O)N(C)C ZINC001143775145 1137198734 /nfs/dbraw/zinc/19/87/34/1137198734.db2.gz TXFSDVJBOPKZEX-UHFFFAOYSA-N 1 1 343.290 3.841 20 30 EHEDMO C=CC[N@H+](C)Cc1ccc(Br)cc1SC(=O)N(C)C ZINC001143775145 1137198736 /nfs/dbraw/zinc/19/87/36/1137198736.db2.gz TXFSDVJBOPKZEX-UHFFFAOYSA-N 1 1 343.290 3.841 20 30 EHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)cc1F ZINC000119619162 1137202347 /nfs/dbraw/zinc/20/23/47/1137202347.db2.gz CIXWNQJEPCMKBO-UHFFFAOYSA-N 1 1 341.430 3.816 20 30 EHEDMO C[N@@H+](CCCc1ccccc1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371440 1137213529 /nfs/dbraw/zinc/21/35/29/1137213529.db2.gz OGPKIYKHHKVPEF-LJQANCHMSA-N 1 1 328.843 3.810 20 30 EHEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)[C@@H]1CCc2c1cccc2Cl ZINC000844367753 1137215893 /nfs/dbraw/zinc/21/58/93/1137215893.db2.gz VFBWEHTYXCCJCM-RTBURBONSA-N 1 1 326.827 3.864 20 30 EHEDMO Cn1cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000844438565 1137223225 /nfs/dbraw/zinc/22/32/25/1137223225.db2.gz FAFSNIQPNHEHLD-GOSISDBHSA-N 1 1 342.393 3.580 20 30 EHEDMO CC(C)CN1c2ccccc2[C@@H]2C[N@H+](Cc3cncc(C#N)c3)CC[C@@H]21 ZINC001144079684 1137237286 /nfs/dbraw/zinc/23/72/86/1137237286.db2.gz BXUYECMWJQQDOX-UNMCSNQZSA-N 1 1 346.478 3.787 20 30 EHEDMO C[C@@H](c1ccc(Br)cc1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC001144169543 1137249012 /nfs/dbraw/zinc/24/90/12/1137249012.db2.gz LBBJFGJMTTVFRB-LBPRGKRZSA-N 1 1 330.229 3.909 20 30 EHEDMO COc1cccc(Cl)c1C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865543229 1137293629 /nfs/dbraw/zinc/29/36/29/1137293629.db2.gz WPKIHXBBVYVUOC-UHFFFAOYSA-N 1 1 329.831 3.576 20 30 EHEDMO N=C(Nc1cc[nH+]c(N2CCCCC2)c1)c1ccc2cc(O)ccc2c1 ZINC001171185485 1137295570 /nfs/dbraw/zinc/29/55/70/1137295570.db2.gz YFQBLXAYKDFMRO-UHFFFAOYSA-N 1 1 346.434 3.968 20 30 EHEDMO Cn1cc(C[NH2+]CC2(C#N)CCCCC2)c(-c2cc(F)ccc2F)n1 ZINC000865630717 1137300337 /nfs/dbraw/zinc/30/03/37/1137300337.db2.gz RGNGYMDRLYQCKB-UHFFFAOYSA-N 1 1 344.409 3.929 20 30 EHEDMO C#Cc1ccc(C[N@H+](C(C)C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001144581507 1137311076 /nfs/dbraw/zinc/31/10/76/1137311076.db2.gz SZOJOJBPEIHJLI-LJQANCHMSA-N 1 1 342.483 3.888 20 30 EHEDMO C#Cc1ccc(C[N@@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001144576604 1137311777 /nfs/dbraw/zinc/31/17/77/1137311777.db2.gz OZZRYAOSADOQMD-LJQANCHMSA-N 1 1 342.483 3.747 20 30 EHEDMO C[N@H+](Cc1cscc1C(F)(F)F)C[C@@H](O)c1cccc(C#N)c1 ZINC000846008232 1137325247 /nfs/dbraw/zinc/32/52/47/1137325247.db2.gz UIDYZEYCUYKHHU-OAHLLOKOSA-N 1 1 340.370 3.804 20 30 EHEDMO CCOC(=O)[C@@]1(C)CCCC[N@H+]([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171208375 1137329085 /nfs/dbraw/zinc/32/90/85/1137329085.db2.gz BFAPMXLCPFDVFH-UZLBHIALSA-N 1 1 328.456 3.545 20 30 EHEDMO C[C@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1cccc(C#N)c1O ZINC000866237964 1137337874 /nfs/dbraw/zinc/33/78/74/1137337874.db2.gz MDVQEMOVHBMBMI-AWEZNQCLSA-N 1 1 337.423 3.831 20 30 EHEDMO CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2[O-])c1 ZINC000866246794 1137338954 /nfs/dbraw/zinc/33/89/54/1137338954.db2.gz NXVHVGPCXWCKQU-MRXNPFEDSA-N 1 1 337.467 3.955 20 30 EHEDMO COc1cc(F)c([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1OC ZINC000866266612 1137340862 /nfs/dbraw/zinc/34/08/62/1137340862.db2.gz LRPXTWGIEUOMIO-RYUDHWBXSA-N 1 1 344.386 3.832 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001171222120 1137348169 /nfs/dbraw/zinc/34/81/69/1137348169.db2.gz DXXHDZMWJNPPRZ-YSZBQJHXSA-N 1 1 345.490 3.553 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001171222120 1137348170 /nfs/dbraw/zinc/34/81/70/1137348170.db2.gz DXXHDZMWJNPPRZ-YSZBQJHXSA-N 1 1 345.490 3.553 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001171221903 1137348321 /nfs/dbraw/zinc/34/83/21/1137348321.db2.gz WXDRDVPZVPFGPS-MOPGFXCFSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCN(Cc2ccccc2)C[C@@H]1C ZINC001171221903 1137348323 /nfs/dbraw/zinc/34/83/23/1137348323.db2.gz WXDRDVPZVPFGPS-MOPGFXCFSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001171222347 1137348820 /nfs/dbraw/zinc/34/88/20/1137348820.db2.gz GBIMPJKYVJLKKQ-CVDCTZTESA-N 1 1 347.506 3.943 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001171222347 1137348823 /nfs/dbraw/zinc/34/88/23/1137348823.db2.gz GBIMPJKYVJLKKQ-CVDCTZTESA-N 1 1 347.506 3.943 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H]1CC(=O)OC(C)(C)C ZINC001171229357 1137354338 /nfs/dbraw/zinc/35/43/38/1137354338.db2.gz MOYLFHFEVDJJBN-QAPCUYQASA-N 1 1 328.456 3.685 20 30 EHEDMO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000868428857 1137409582 /nfs/dbraw/zinc/40/95/82/1137409582.db2.gz MZFPFPJJVHEWPL-VQTJNVASSA-N 1 1 348.450 3.517 20 30 EHEDMO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000868428857 1137409584 /nfs/dbraw/zinc/40/95/84/1137409584.db2.gz MZFPFPJJVHEWPL-VQTJNVASSA-N 1 1 348.450 3.517 20 30 EHEDMO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000773030303 1137460560 /nfs/dbraw/zinc/46/05/60/1137460560.db2.gz NCUMOPAINGIWPW-LBPRGKRZSA-N 1 1 341.386 3.515 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1O ZINC000773259387 1137482475 /nfs/dbraw/zinc/48/24/75/1137482475.db2.gz JGRCBOZYFRRBDQ-IRXDYDNUSA-N 1 1 345.483 3.768 20 30 EHEDMO N#Cc1ccc2c(c1)CC[N@H+]([C@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171534352 1137493939 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20 30 EHEDMO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H](C#N)C1)C2 ZINC001172103040 1137536487 /nfs/dbraw/zinc/53/64/87/1137536487.db2.gz SFUHVCLMTMTIDT-NCOADZHNSA-N 1 1 333.476 3.543 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CC(Oc2ccc(F)c(F)c2)C1 ZINC001172308278 1137545653 /nfs/dbraw/zinc/54/56/53/1137545653.db2.gz VWESICLMZIEHPG-CYBMUJFWSA-N 1 1 328.362 3.531 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC001172319948 1137546891 /nfs/dbraw/zinc/54/68/91/1137546891.db2.gz SGKJRJYIOIYUPY-QAPCUYQASA-N 1 1 328.456 3.685 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC001172319948 1137546892 /nfs/dbraw/zinc/54/68/92/1137546892.db2.gz SGKJRJYIOIYUPY-QAPCUYQASA-N 1 1 328.456 3.685 20 30 EHEDMO CCCCCCC[C@H](CC)[N@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001172356798 1137554167 /nfs/dbraw/zinc/55/41/67/1137554167.db2.gz YIGBEZVVFQDZHQ-IRXDYDNUSA-N 1 1 336.524 3.890 20 30 EHEDMO CCCCCCC[C@H](CC)[N@@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001172356798 1137554168 /nfs/dbraw/zinc/55/41/68/1137554168.db2.gz YIGBEZVVFQDZHQ-IRXDYDNUSA-N 1 1 336.524 3.890 20 30 EHEDMO C=C(Br)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000124683494 1137607304 /nfs/dbraw/zinc/60/73/04/1137607304.db2.gz LQSFRHMWYXXOJO-UHFFFAOYSA-N 1 1 334.261 3.850 20 30 EHEDMO C=C(Br)C[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000124683494 1137607305 /nfs/dbraw/zinc/60/73/05/1137607305.db2.gz LQSFRHMWYXXOJO-UHFFFAOYSA-N 1 1 334.261 3.850 20 30 EHEDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccccc1-c1ccccc1C#N ZINC000874849423 1137624687 /nfs/dbraw/zinc/62/46/87/1137624687.db2.gz XYXIJCCVQAMNDP-NHCUHLMSSA-N 1 1 345.446 3.534 20 30 EHEDMO CCC[N@@H+](Cc1cc(C#N)cnc1Cl)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000876758432 1137660527 /nfs/dbraw/zinc/66/05/27/1137660527.db2.gz IXHCMALZIVGCJM-XHSDSOJGSA-N 1 1 333.863 3.632 20 30 EHEDMO CC[NH+](CC)[C@H](CNCc1cc(C#N)cnc1Cl)c1ccsc1 ZINC000876931631 1137665608 /nfs/dbraw/zinc/66/56/08/1137665608.db2.gz ZXUCJMRAGPZVFG-MRXNPFEDSA-N 1 1 348.903 3.841 20 30 EHEDMO CC[C@@H](CC#N)[NH2+]Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC000877363902 1137674777 /nfs/dbraw/zinc/67/47/77/1137674777.db2.gz JFUQANGSMZDFDF-AWEZNQCLSA-N 1 1 349.500 3.823 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(CC(F)(F)F)cc2)n1 ZINC000877484825 1137678043 /nfs/dbraw/zinc/67/80/43/1137678043.db2.gz PKVJXHQBFVEBIK-UHFFFAOYSA-N 1 1 335.373 3.643 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(CC(F)(F)F)cc2)n1 ZINC000877484825 1137678044 /nfs/dbraw/zinc/67/80/44/1137678044.db2.gz PKVJXHQBFVEBIK-UHFFFAOYSA-N 1 1 335.373 3.643 20 30 EHEDMO C[N@H+](CCCOCc1ccccc1)Cc1cc(C#N)cnc1Cl ZINC000877500068 1137678712 /nfs/dbraw/zinc/67/87/12/1137678712.db2.gz AWCHZUPNOKQJQI-UHFFFAOYSA-N 1 1 329.831 3.645 20 30 EHEDMO C[N@@H+](CCCOCc1ccccc1)Cc1cc(C#N)cnc1Cl ZINC000877500068 1137678713 /nfs/dbraw/zinc/67/87/13/1137678713.db2.gz AWCHZUPNOKQJQI-UHFFFAOYSA-N 1 1 329.831 3.645 20 30 EHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cnc([C@@H]2CCCO2)s1 ZINC000877704213 1137686375 /nfs/dbraw/zinc/68/63/75/1137686375.db2.gz LARJUKWURMNYJV-KRWDZBQOSA-N 1 1 327.453 3.541 20 30 EHEDMO C=CCc1cc(C[N@H+]2CC[C@@H](c3nc(C)cs3)C2)cc(OC)c1O ZINC000877813283 1137691084 /nfs/dbraw/zinc/69/10/84/1137691084.db2.gz JXRSMZBHEICOFD-MRXNPFEDSA-N 1 1 344.480 3.884 20 30 EHEDMO CCc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879434166 1137747764 /nfs/dbraw/zinc/74/77/64/1137747764.db2.gz DPIGSKJIQDYXNJ-INIZCTEOSA-N 1 1 335.451 3.622 20 30 EHEDMO C[C@H](CCC#N)[N@H+]1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC000879654848 1137753923 /nfs/dbraw/zinc/75/39/23/1137753923.db2.gz OYNQBVSEVGLJMK-DNVCBOLYSA-N 1 1 337.508 3.942 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCSC[C@H]2c2ccccc2)cc1 ZINC000880386852 1137777504 /nfs/dbraw/zinc/77/75/04/1137777504.db2.gz ASQFLACBQQTYDP-VQTJNVASSA-N 1 1 338.476 3.772 20 30 EHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880540409 1137780978 /nfs/dbraw/zinc/78/09/78/1137780978.db2.gz ZKFZPKKCKURQLQ-YOEHRIQHSA-N 1 1 337.448 3.883 20 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/nfs/dbraw/zinc/88/92/74/1137889274.db2.gz YHDWIEBGHCXNQK-GJZGRUSLSA-N 1 1 331.485 3.894 20 30 EHEDMO CCS[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000331427091 1137907989 /nfs/dbraw/zinc/90/79/89/1137907989.db2.gz CBFNOSXQBJNNIZ-DZGCQCFKSA-N 1 1 349.500 3.703 20 30 EHEDMO CCS[C@@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000331427091 1137907990 /nfs/dbraw/zinc/90/79/90/1137907990.db2.gz CBFNOSXQBJNNIZ-DZGCQCFKSA-N 1 1 349.500 3.703 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2cccc(Br)c2Cl)nc1 ZINC001202654671 1137908068 /nfs/dbraw/zinc/90/80/68/1137908068.db2.gz GDYKHGPEPNVBQT-UHFFFAOYSA-N 1 1 336.620 3.659 20 30 EHEDMO C=C(Cl)C[NH2+]Cc1cc(Br)c(OCC)c(OC)c1 ZINC000134792574 1137960788 /nfs/dbraw/zinc/96/07/88/1137960788.db2.gz RPVDIWVLVXNDPE-UHFFFAOYSA-N 1 1 334.641 3.699 20 30 EHEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000885999480 1138031304 /nfs/dbraw/zinc/03/13/04/1138031304.db2.gz JBSCNYCSHPRIOQ-WMZOPIPTSA-N 1 1 328.456 3.667 20 30 EHEDMO CC1(C)C[C@H]([N@H+](Cc2ccccc2)C[C@H](O)CC2(C#N)CCC2)CO1 ZINC000886274484 1138063187 /nfs/dbraw/zinc/06/31/87/1138063187.db2.gz UODMMDBMADWVCC-RBUKOAKNSA-N 1 1 342.483 3.501 20 30 EHEDMO COc1ccc(C[NH2+]Cc2cc(C3CC3)no2)cc1OCCCC#N ZINC000886272490 1138063370 /nfs/dbraw/zinc/06/33/70/1138063370.db2.gz QWQCKZNAILJSLH-UHFFFAOYSA-N 1 1 341.411 3.533 20 30 EHEDMO N#CCC[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000348378558 1138067440 /nfs/dbraw/zinc/06/74/40/1138067440.db2.gz JOVHPKQWLCTBPE-MRXNPFEDSA-N 1 1 330.229 3.631 20 30 EHEDMO C[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)[C@H]1c1ccccc1 ZINC000886542821 1138093322 /nfs/dbraw/zinc/09/33/22/1138093322.db2.gz GOLQKSFBWMSESH-SUMWQHHRSA-N 1 1 325.437 3.641 20 30 EHEDMO C[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)[C@H]1c1ccccc1 ZINC000886542821 1138093324 /nfs/dbraw/zinc/09/33/24/1138093324.db2.gz GOLQKSFBWMSESH-SUMWQHHRSA-N 1 1 325.437 3.641 20 30 EHEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@H](c2ccco2)C1 ZINC000072905243 1138108736 /nfs/dbraw/zinc/10/87/36/1138108736.db2.gz DQSWVNLORZQOAL-QAPCUYQASA-N 1 1 337.423 3.953 20 30 EHEDMO C=CCC1(O)CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000886760039 1138133624 /nfs/dbraw/zinc/13/36/24/1138133624.db2.gz WVJAHQSXRCGDNJ-UHFFFAOYSA-N 1 1 332.831 3.898 20 30 EHEDMO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2c(CC)cccc2CC)CC1 ZINC000886761726 1138134102 /nfs/dbraw/zinc/13/41/02/1138134102.db2.gz KBJRCIKVTAZYFV-INIZCTEOSA-N 1 1 344.499 3.541 20 30 EHEDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000076811680 1138134886 /nfs/dbraw/zinc/13/48/86/1138134886.db2.gz AKIUCFMDBBFWEM-WFASDCNBSA-N 1 1 343.427 3.575 20 30 EHEDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000076811680 1138134887 /nfs/dbraw/zinc/13/48/87/1138134887.db2.gz AKIUCFMDBBFWEM-WFASDCNBSA-N 1 1 343.427 3.575 20 30 EHEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000076811690 1138134910 /nfs/dbraw/zinc/13/49/10/1138134910.db2.gz AKIUCFMDBBFWEM-SWLSCSKDSA-N 1 1 343.427 3.575 20 30 EHEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000076811690 1138134911 /nfs/dbraw/zinc/13/49/11/1138134911.db2.gz AKIUCFMDBBFWEM-SWLSCSKDSA-N 1 1 343.427 3.575 20 30 EHEDMO COc1ccc(C[N@H+]2CC[C@@H](OCC(C)C)C2)cc1OCCCC#N ZINC000091964653 1138223623 /nfs/dbraw/zinc/22/36/23/1138223623.db2.gz GKMCLGYNFMBAOF-GOSISDBHSA-N 1 1 346.471 3.625 20 30 EHEDMO C=CCC[C@H](NC(=O)N(C)CCCn1cc[nH+]c1C)c1ccccc1 ZINC000122940266 1138264501 /nfs/dbraw/zinc/26/45/01/1138264501.db2.gz GVFQBVDIQRXREV-IBGZPJMESA-N 1 1 340.471 3.931 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC2(CCC2)C1 ZINC000123218889 1138267442 /nfs/dbraw/zinc/26/74/42/1138267442.db2.gz GBZGKBSOFRQYBU-OAHLLOKOSA-N 1 1 343.496 3.895 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC2(CCC2)C1 ZINC000123218889 1138267445 /nfs/dbraw/zinc/26/74/45/1138267445.db2.gz GBZGKBSOFRQYBU-OAHLLOKOSA-N 1 1 343.496 3.895 20 30 EHEDMO C=CCN1CC[C@H]([N@@H+]2CCc3sccc3[C@@H]2c2cccs2)C1=O ZINC000337137802 1138476281 /nfs/dbraw/zinc/47/62/81/1138476281.db2.gz PWWYTGCRVSGUSS-WMLDXEAASA-N 1 1 344.505 3.544 20 30 EHEDMO C=CCN1CC[C@H]([N@H+]2CCc3sccc3[C@@H]2c2cccs2)C1=O ZINC000337137802 1138476283 /nfs/dbraw/zinc/47/62/83/1138476283.db2.gz PWWYTGCRVSGUSS-WMLDXEAASA-N 1 1 344.505 3.544 20 30 EHEDMO CCC[N@@H+](CCCC1(C#N)CCOCC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000337178478 1138487190 /nfs/dbraw/zinc/48/71/90/1138487190.db2.gz KTBYXXPTCSIIMF-RCCFBDPRSA-N 1 1 334.504 3.612 20 30 EHEDMO C=CCN1CC[C@@H]([N@@H+](C)CCCSc2ccccc2Cl)C1=O ZINC000337235357 1138503094 /nfs/dbraw/zinc/50/30/94/1138503094.db2.gz XNIFXGMCZNPIMM-OAHLLOKOSA-N 1 1 338.904 3.541 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000135136607 1138728456 /nfs/dbraw/zinc/72/84/56/1138728456.db2.gz BSYVSKVOONJZCW-FQEVSTJZSA-N 1 1 347.462 3.551 20 30 EHEDMO C[C@@H](CC#N)NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000153681104 1139147619 /nfs/dbraw/zinc/14/76/19/1139147619.db2.gz JJFPKTKQIORMFL-HNNXBMFYSA-N 1 1 328.460 3.875 20 30 EHEDMO Cc1ccc(NC(=[NH2+])NC[C@@H](c2cccs2)N2CCCC2)cc1C ZINC000104155679 1139196569 /nfs/dbraw/zinc/19/65/69/1139196569.db2.gz IBMSWVPIUQDYHI-KRWDZBQOSA-N 1 1 342.512 3.929 20 30 EHEDMO CC1CCC(Oc2cc(C[NH2+]Cc3ccc(C#N)o3)ccn2)CC1 ZINC000174393443 1139417879 /nfs/dbraw/zinc/41/78/79/1139417879.db2.gz HWMPBCYQWYICFV-UHFFFAOYSA-N 1 1 325.412 3.794 20 30 EHEDMO CC[C@H](C)[N@@H+](CCCC(C)(C)C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000174866505 1139447227 /nfs/dbraw/zinc/44/72/27/1139447227.db2.gz MLHRNUWTJKOKTP-HNNXBMFYSA-N 1 1 340.471 3.854 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(C)s1 ZINC000175254851 1139475753 /nfs/dbraw/zinc/47/57/53/1139475753.db2.gz LQZAMAUICKWOJM-ZIAGYGMSSA-N 1 1 349.525 3.767 20 30 EHEDMO C=CCCCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000178588064 1139706327 /nfs/dbraw/zinc/70/63/27/1139706327.db2.gz QAKDDWUADOCILD-PMACEKPBSA-N 1 1 326.484 3.856 20 30 EHEDMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)c1cc(F)ccc1F ZINC000179775412 1139781796 /nfs/dbraw/zinc/78/17/96/1139781796.db2.gz RMEUPYXDOWPZKP-SJKOYZFVSA-N 1 1 343.377 3.904 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(NC3(c4ccccc4F)CC3)CC2)cc1 ZINC000182241614 1139960331 /nfs/dbraw/zinc/96/03/31/1139960331.db2.gz SZXJNXUEIWQGKN-UHFFFAOYSA-N 1 1 349.453 3.941 20 30 EHEDMO C=CCc1cc(C[N@@H+](C)C[C@@H](C)c2nccs2)cc(OC)c1O ZINC000183249782 1140024591 /nfs/dbraw/zinc/02/45/91/1140024591.db2.gz VRHDLVBQNBITNB-CYBMUJFWSA-N 1 1 332.469 3.821 20 30 EHEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2nnc3n2CCCC3)cc1 ZINC000183867762 1140062709 /nfs/dbraw/zinc/06/27/09/1140062709.db2.gz YOVISYHPLWNVAS-AWEZNQCLSA-N 1 1 346.862 3.597 20 30 EHEDMO COc1ccc(O)c(/C=N\C[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000777401243 1140075581 /nfs/dbraw/zinc/07/55/81/1140075581.db2.gz MRQWYKPTAQFWRT-ODLJZMMESA-N 1 1 338.451 3.874 20 30 EHEDMO CC#CCCCC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000185731872 1140167043 /nfs/dbraw/zinc/16/70/43/1140167043.db2.gz UBQIEMAAADUILK-HXUWFJFHSA-N 1 1 326.484 3.551 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2ccsc2)CC1 ZINC000186908411 1140227899 /nfs/dbraw/zinc/22/78/99/1140227899.db2.gz LKGIUNHBGUMXEN-AWEZNQCLSA-N 1 1 339.464 3.826 20 30 EHEDMO CC[N@H+](CC(=O)Nc1cccc(OC)c1)[C@H](C)c1cccc(C#N)c1 ZINC000189776699 1140363350 /nfs/dbraw/zinc/36/33/50/1140363350.db2.gz LXLSUDTVKSSGOL-OAHLLOKOSA-N 1 1 337.423 3.588 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)[C@H](C)c1cccc(C#N)c1 ZINC000189776699 1140363355 /nfs/dbraw/zinc/36/33/55/1140363355.db2.gz LXLSUDTVKSSGOL-OAHLLOKOSA-N 1 1 337.423 3.588 20 30 EHEDMO COC[C@H]([NH2+]Cc1ccc(C#N)cc1OC)c1ccc(Cl)cc1 ZINC000193666499 1140582781 /nfs/dbraw/zinc/58/27/81/1140582781.db2.gz WDOSCXGTWSSHLT-KRWDZBQOSA-N 1 1 330.815 3.698 20 30 EHEDMO C[C@H]([N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2)C1(C)CC1 ZINC000267653453 1140816165 /nfs/dbraw/zinc/81/61/65/1140816165.db2.gz BUPWIVMULVWVAO-LBPRGKRZSA-N 1 1 331.485 3.557 20 30 EHEDMO COC(=O)c1cc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)oc1C ZINC000350656829 1140994784 /nfs/dbraw/zinc/99/47/84/1140994784.db2.gz KGWVDKLAIPXHAL-UHFFFAOYSA-N 1 1 340.423 3.905 20 30 EHEDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc(CC#N)cc1 ZINC000270351816 1141210627 /nfs/dbraw/zinc/21/06/27/1141210627.db2.gz CMGIKDZYCYEDAK-PZJWPPBQSA-N 1 1 345.446 3.509 20 30 EHEDMO C[C@@]1(CCCO)CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000271200591 1141323040 /nfs/dbraw/zinc/32/30/40/1141323040.db2.gz QATQEOGJDXVRLA-KRWDZBQOSA-N 1 1 325.374 3.684 20 30 EHEDMO C=CCC[C@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)c1ccccc1 ZINC000283247081 1141578580 /nfs/dbraw/zinc/57/85/80/1141578580.db2.gz VDGSPSHDPCJMHF-INIZCTEOSA-N 1 1 330.863 3.993 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735426243 598376170 /nfs/dbraw/zinc/37/61/70/598376170.db2.gz MUIHJWDXBHNOQI-UHFFFAOYSA-N 1 1 345.859 3.770 20 30 EHEDMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735426243 598376172 /nfs/dbraw/zinc/37/61/72/598376172.db2.gz MUIHJWDXBHNOQI-UHFFFAOYSA-N 1 1 345.859 3.770 20 30 EHEDMO Cc1ccc2nc(N3C[C@@H](C)[N@H+](C)C[C@@H]3C)c(C#N)c(Cl)c2c1 ZINC001164632052 719258461 /nfs/dbraw/zinc/25/84/61/719258461.db2.gz IALPZBVEMCKPFM-OLZOCXBDSA-N 1 1 328.847 3.597 20 30 EHEDMO Cc1cc(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)cc(C#N)n1 ZINC000557583329 1014193143 /nfs/dbraw/zinc/19/31/43/1014193143.db2.gz AEZHVPLHKSRNEJ-OAHLLOKOSA-N 1 1 340.858 3.798 20 30 EHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000607755137 1014912154 /nfs/dbraw/zinc/91/21/54/1014912154.db2.gz IEGQSFZPGVPOFM-UWJYYQICSA-N 1 1 337.463 3.602 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430207638 1014930335 /nfs/dbraw/zinc/93/03/35/1014930335.db2.gz NHUNRBYCHLGBNR-UHFFFAOYSA-N 1 1 339.395 3.887 20 30 EHEDMO C=CCc1cc(OCC)cc(CN2CCC[N@H+](C(C)(C)C)CC2)c1O ZINC000748082303 1015332474 /nfs/dbraw/zinc/33/24/74/1015332474.db2.gz HUKCGXLDEHVNOS-UHFFFAOYSA-N 1 1 346.515 3.826 20 30 EHEDMO Cc1[nH+]ccn1CCCSc1nc(C(F)(F)F)ccc1C#N ZINC000274999230 1015730440 /nfs/dbraw/zinc/73/04/40/1015730440.db2.gz KBQCABPGWHEDRY-UHFFFAOYSA-N 1 1 326.347 3.659 20 30 EHEDMO C=C(C)[C@@H](NC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1ccc(F)c(F)c1 ZINC000275089397 1015966138 /nfs/dbraw/zinc/96/61/38/1015966138.db2.gz ULAZACOXUCYKGD-FZKQIMNGSA-N 1 1 349.425 3.532 20 30 EHEDMO C=CCCCCCCCC[N@@H+]1CCc2ncc(C(=O)OCC)n2CC1 ZINC001209446348 1016308169 /nfs/dbraw/zinc/30/81/69/1016308169.db2.gz XRMKXTMFOVACOX-UHFFFAOYSA-N 1 1 347.503 3.835 20 30 EHEDMO N#Cc1cc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)ccc1F ZINC000430338191 1016399011 /nfs/dbraw/zinc/39/90/11/1016399011.db2.gz OPZNPOYUGXUQAW-UHFFFAOYSA-N 1 1 346.409 3.732 20 30 EHEDMO COc1ccc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C(C)C)cc1C#N ZINC000340199267 1016679487 /nfs/dbraw/zinc/67/94/87/1016679487.db2.gz BKXHYDBOMHMROF-FQEVSTJZSA-N 1 1 338.451 3.586 20 30 EHEDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1F ZINC000189720555 1016701457 /nfs/dbraw/zinc/70/14/57/1016701457.db2.gz AJIMITCQDGNPOW-HXUWFJFHSA-N 1 1 326.415 3.861 20 30 EHEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459583761 1032283800 /nfs/dbraw/zinc/28/38/00/1032283800.db2.gz UCTQUDVPPKHFPX-FXAWDEMLSA-N 1 1 339.483 3.612 20 30 EHEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459583761 1032283807 /nfs/dbraw/zinc/28/38/07/1032283807.db2.gz UCTQUDVPPKHFPX-FXAWDEMLSA-N 1 1 339.483 3.612 20 30 EHEDMO Oc1ccc2ccccc2c1/C=N/[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000905002260 1032315357 /nfs/dbraw/zinc/31/53/57/1032315357.db2.gz GDJWGUMTGXVKNG-LNSJNNGNSA-N 1 1 326.465 3.544 20 30 EHEDMO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449302058 1032421654 /nfs/dbraw/zinc/42/16/54/1032421654.db2.gz UDOXOXYPTOCKNK-UZKOGDIHSA-N 1 1 342.527 3.653 20 30 EHEDMO C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000584415585 1032480362 /nfs/dbraw/zinc/48/03/62/1032480362.db2.gz OPALLPRTQBONDI-INIZCTEOSA-N 1 1 334.529 3.939 20 30 EHEDMO C=CCCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000537239931 1032574559 /nfs/dbraw/zinc/57/45/59/1032574559.db2.gz UWQWZOPVJFPVJK-SJLPKXTDSA-N 1 1 332.513 3.638 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(C)nc3ccccc23)c1 ZINC000172415618 1032666184 /nfs/dbraw/zinc/66/61/84/1032666184.db2.gz INNKGWNGLDWOSJ-UHFFFAOYSA-N 1 1 343.430 3.595 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(C)nc3ccccc23)c1 ZINC000172415618 1032666194 /nfs/dbraw/zinc/66/61/94/1032666194.db2.gz INNKGWNGLDWOSJ-UHFFFAOYSA-N 1 1 343.430 3.595 20 30 EHEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000449506931 1032689610 /nfs/dbraw/zinc/68/96/10/1032689610.db2.gz ZOWIWUYDJZYXSN-OAHLLOKOSA-N 1 1 327.409 3.908 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000275592892 1017409232 /nfs/dbraw/zinc/40/92/32/1017409232.db2.gz KCGBWQUAIHGEKR-RVKKMQEKSA-N 1 1 343.471 3.854 20 30 EHEDMO C[C@@H]1C[C@@H](Nc2ccc(C#N)cc2CO)CC[N@H+]1Cc1ccccc1 ZINC000892848146 1017567770 /nfs/dbraw/zinc/56/77/70/1017567770.db2.gz RISCOJNKXZDZSM-UZLBHIALSA-N 1 1 335.451 3.516 20 30 EHEDMO Cc1cc(C)c(C#N)c(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000343616270 1017697903 /nfs/dbraw/zinc/69/79/03/1017697903.db2.gz CTZSLYZAQVVDCW-QFIPXVFZSA-N 1 1 346.478 3.673 20 30 EHEDMO C=CCCCCNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472776949 1017877188 /nfs/dbraw/zinc/87/71/88/1017877188.db2.gz WBGMXGCJPQJHSX-HKUYNNGSSA-N 1 1 329.488 3.553 20 30 EHEDMO CCc1cc(C#N)c(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000602248962 1032735762 /nfs/dbraw/zinc/73/57/62/1032735762.db2.gz ZNRKLPFKAZSYQN-OAHLLOKOSA-N 1 1 339.464 3.643 20 30 EHEDMO C#CCOc1ccccc1C[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000892971279 1018013927 /nfs/dbraw/zinc/01/39/27/1018013927.db2.gz PKJHVEQMVHBJBD-UHFFFAOYSA-N 1 1 340.370 3.550 20 30 EHEDMO COc1ccc(/C=C\C(=O)c2ccc(-n3cc[nH+]c3C)cc2)cc1O ZINC000255136477 1018031651 /nfs/dbraw/zinc/03/16/51/1018031651.db2.gz ROBQYCYEEVKOMF-OQFOIZHKSA-N 1 1 334.375 3.791 20 30 EHEDMO C[C@H]1C[C@@H](NC(=O)C2(C#N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000079554551 1018145484 /nfs/dbraw/zinc/14/54/84/1018145484.db2.gz KNBVRJSLFQWUGH-HKUYNNGSSA-N 1 1 339.483 3.630 20 30 EHEDMO C=CCCCCNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000472841774 1018239898 /nfs/dbraw/zinc/23/98/98/1018239898.db2.gz PVHZRSADUMNZIC-UHFFFAOYSA-N 1 1 343.515 3.693 20 30 EHEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccc(O)cc1 ZINC000377715762 1018256203 /nfs/dbraw/zinc/25/62/03/1018256203.db2.gz FOFJANUVSPXSDZ-UHFFFAOYSA-N 1 1 346.434 3.801 20 30 EHEDMO Cc1ccc(-c2nnc([C@@H](C)O[NH+]=C(N)C3CCCC3)o2)cc1C ZINC000176942277 1018296199 /nfs/dbraw/zinc/29/61/99/1018296199.db2.gz ARKDSULLLJMLLO-CYBMUJFWSA-N 1 1 328.416 3.893 20 30 EHEDMO CC(C)(CC#N)C[NH2+][C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000419356278 1018811279 /nfs/dbraw/zinc/81/12/79/1018811279.db2.gz SPTHRDXKJYBYBF-IBGZPJMESA-N 1 1 335.451 3.574 20 30 EHEDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000458839333 1019418403 /nfs/dbraw/zinc/41/84/03/1019418403.db2.gz MJMHXIZFBAWTBA-RTBURBONSA-N 1 1 342.487 3.546 20 30 EHEDMO N#Cc1cnc(N2CCC[N@@H+](CC3CCCCC3)CC2)c(Cl)c1 ZINC000513599118 1019865153 /nfs/dbraw/zinc/86/51/53/1019865153.db2.gz XLXSMRLBOOPCLN-UHFFFAOYSA-N 1 1 332.879 3.699 20 30 EHEDMO CCOc1cc(C[N@H+](C)Cc2cccc(C#N)n2)ccc1OC(F)F ZINC000602442058 1032889456 /nfs/dbraw/zinc/88/94/56/1032889456.db2.gz SNYNDMFVXNZUHS-UHFFFAOYSA-N 1 1 347.365 3.585 20 30 EHEDMO CCOc1cc(C[N@@H+](C)Cc2cccc(C#N)n2)ccc1OC(F)F ZINC000602442058 1032889475 /nfs/dbraw/zinc/88/94/75/1032889475.db2.gz SNYNDMFVXNZUHS-UHFFFAOYSA-N 1 1 347.365 3.585 20 30 EHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000345730840 1020459978 /nfs/dbraw/zinc/45/99/78/1020459978.db2.gz QPEWTWHSVPVTED-INIZCTEOSA-N 1 1 339.439 3.567 20 30 EHEDMO C=CCC[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccco1 ZINC000513697707 1020501240 /nfs/dbraw/zinc/50/12/40/1020501240.db2.gz QRQXRSIYDNYKPV-GFCCVEGCSA-N 1 1 338.329 3.933 20 30 EHEDMO C#Cc1ccc([C@@H](OC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(F)(F)F)cc1 ZINC000891369147 1020663592 /nfs/dbraw/zinc/66/35/92/1020663592.db2.gz LUDXZWOCOPFXAK-VBNZEHGJSA-N 1 1 339.357 3.545 20 30 EHEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000072693735 1021015886 /nfs/dbraw/zinc/01/58/86/1021015886.db2.gz SMLQVMLJMHPJKY-HOCLYGCPSA-N 1 1 329.469 3.505 20 30 EHEDMO CCC[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000119399968 1021042694 /nfs/dbraw/zinc/04/26/94/1021042694.db2.gz JCDOCJXXJHNTNH-HNNXBMFYSA-N 1 1 339.414 3.937 20 30 EHEDMO CCC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000119399968 1021042697 /nfs/dbraw/zinc/04/26/97/1021042697.db2.gz JCDOCJXXJHNTNH-HNNXBMFYSA-N 1 1 339.414 3.937 20 30 EHEDMO C[C@@H](CCC#N)[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000276332848 1021046577 /nfs/dbraw/zinc/04/65/77/1021046577.db2.gz RFWIETQMALECMR-INIZCTEOSA-N 1 1 340.496 3.620 20 30 EHEDMO CC[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC[C@@H]1c1ccccc1 ZINC000592504941 1032953591 /nfs/dbraw/zinc/95/35/91/1032953591.db2.gz NALGIXKDLKXHCO-PXNSSMCTSA-N 1 1 345.450 3.617 20 30 EHEDMO C=CCOc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1Cl ZINC000581575661 1021103340 /nfs/dbraw/zinc/10/33/40/1021103340.db2.gz ZYNMIRRNYRZPDE-SJLPKXTDSA-N 1 1 334.891 3.821 20 30 EHEDMO C[C@@H]1CCC[C@H](C)[N@H+]1CCNCc1cccc(OCCCC#N)c1 ZINC000341215912 1021114523 /nfs/dbraw/zinc/11/45/23/1021114523.db2.gz VTWICIYKQYBZTI-HDICACEKSA-N 1 1 329.488 3.722 20 30 EHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNCc1cccc(OCCCC#N)c1 ZINC000341215912 1021114525 /nfs/dbraw/zinc/11/45/25/1021114525.db2.gz VTWICIYKQYBZTI-HDICACEKSA-N 1 1 329.488 3.722 20 30 EHEDMO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)cc1O ZINC000437895307 1021270984 /nfs/dbraw/zinc/27/09/84/1021270984.db2.gz IKXJLDVPPWCQEM-UHFFFAOYSA-N 1 1 348.349 3.506 20 30 EHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)cc1O ZINC000437895307 1021270989 /nfs/dbraw/zinc/27/09/89/1021270989.db2.gz IKXJLDVPPWCQEM-UHFFFAOYSA-N 1 1 348.349 3.506 20 30 EHEDMO CC[C@](C)(O)C[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000439272810 1021309091 /nfs/dbraw/zinc/30/90/91/1021309091.db2.gz LJWVUVLMNJZVFE-NRFANRHFSA-N 1 1 338.451 3.600 20 30 EHEDMO C[C@@]1(CO)CCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000516387040 1021376089 /nfs/dbraw/zinc/37/60/89/1021376089.db2.gz FWEAKWFUXIOXNP-NRFANRHFSA-N 1 1 334.463 3.733 20 30 EHEDMO CCC[N@@H+](CCCOc1cccc(C#N)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000477290387 1021402352 /nfs/dbraw/zinc/40/23/52/1021402352.db2.gz HUELTQFDYOQPDK-AQNXPRMDSA-N 1 1 342.483 3.853 20 30 EHEDMO CC1CCC(Oc2cc(C[NH2+]Cc3cccc(C#N)n3)ccn2)CC1 ZINC000602593062 1032990753 /nfs/dbraw/zinc/99/07/53/1032990753.db2.gz HFQOTDZBLNSEKP-UHFFFAOYSA-N 1 1 336.439 3.596 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000506013492 1021706664 /nfs/dbraw/zinc/70/66/64/1021706664.db2.gz WVDZPNSJYKADDI-OAHLLOKOSA-N 1 1 345.464 3.877 20 30 EHEDMO CC(C)COC1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437419770 1021812711 /nfs/dbraw/zinc/81/27/11/1021812711.db2.gz QEOBITJNWMGBOO-UHFFFAOYSA-N 1 1 338.398 3.797 20 30 EHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000519968597 1021826793 /nfs/dbraw/zinc/82/67/93/1021826793.db2.gz OUZFZJLWBJEOAY-JOCHJYFZSA-N 1 1 346.474 3.835 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c(OC(F)F)c1 ZINC000437431184 1021832607 /nfs/dbraw/zinc/83/26/07/1021832607.db2.gz JXSDPLNRBLJCLW-CQSZACIVSA-N 1 1 349.406 3.996 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)C2(C)CC2)c1 ZINC000437510482 1021902923 /nfs/dbraw/zinc/90/29/23/1021902923.db2.gz AQPCFPUHTQIFHP-QGZVFWFLSA-N 1 1 327.472 3.671 20 30 EHEDMO C=CCN(CCc1ccccc1)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000520130172 1021953372 /nfs/dbraw/zinc/95/33/72/1021953372.db2.gz DKJNGEHKDHMTCJ-RBUKOAKNSA-N 1 1 343.515 3.547 20 30 EHEDMO C=CCN(CCc1ccccc1)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000520130221 1021953453 /nfs/dbraw/zinc/95/34/53/1021953453.db2.gz INJKNHRDJWYQPK-MOPGFXCFSA-N 1 1 343.515 3.547 20 30 EHEDMO CC[N@@H+](Cc1cc(C#N)ccc1OC)[C@H](COC)Cc1ccccc1 ZINC000437577838 1021963726 /nfs/dbraw/zinc/96/37/26/1021963726.db2.gz NHEPVXIRDBVCOG-FQEVSTJZSA-N 1 1 338.451 3.646 20 30 EHEDMO CC(C)C[N@@H+](CC(=O)NC1CCCCCC1)Cc1ccc(C#N)cc1 ZINC000520173043 1021985651 /nfs/dbraw/zinc/98/56/51/1021985651.db2.gz GNLVQLROTXGLCD-UHFFFAOYSA-N 1 1 341.499 3.855 20 30 EHEDMO CC(C)C[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1ccc(C#N)cc1 ZINC000520173019 1021986642 /nfs/dbraw/zinc/98/66/42/1021986642.db2.gz DIMDCXNTNURUSS-UHFFFAOYSA-N 1 1 339.414 3.794 20 30 EHEDMO Clc1ccccc1C#CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441238307 1022075406 /nfs/dbraw/zinc/07/54/06/1022075406.db2.gz YIEQPOUGBJMOAX-FXAWDEMLSA-N 1 1 328.887 3.640 20 30 EHEDMO C[N@@H+]1Cc2c(NC(=O)C(C)(C)C#N)cccc2[C@H](c2ccccc2)C1 ZINC001143401404 1022082680 /nfs/dbraw/zinc/08/26/80/1022082680.db2.gz MRDOQFRHCWRTHE-KRWDZBQOSA-N 1 1 333.435 3.752 20 30 EHEDMO CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000438496601 1022102741 /nfs/dbraw/zinc/10/27/41/1022102741.db2.gz USBFKMZHFSKXIR-KBPBESRZSA-N 1 1 345.512 3.948 20 30 EHEDMO CC[C@H](CC#N)[NH2+]CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000517171582 1022103900 /nfs/dbraw/zinc/10/39/00/1022103900.db2.gz OJZBKFWLSZLHFS-MOPGFXCFSA-N 1 1 341.499 3.929 20 30 EHEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCOCC4(CC4)C3)c2)c1 ZINC000341531647 1022124759 /nfs/dbraw/zinc/12/47/59/1022124759.db2.gz ODYSJPGTSCHDJR-UHFFFAOYSA-N 1 1 348.446 3.750 20 30 EHEDMO Cc1ccc(C(C)(C)C[N@@H+](C)CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000441323034 1022158863 /nfs/dbraw/zinc/15/88/63/1022158863.db2.gz INPOEDIKZMMZIR-UHFFFAOYSA-N 1 1 341.499 3.547 20 30 EHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1C#N ZINC000122997883 1022310659 /nfs/dbraw/zinc/31/06/59/1022310659.db2.gz RKOCCLGWNDQWHY-OKILXGFUSA-N 1 1 342.487 3.903 20 30 EHEDMO CCC[N@H+](Cc1cccc(C#N)n1)[C@H](C)C(=O)Nc1ccccc1C ZINC000602638740 1033049602 /nfs/dbraw/zinc/04/96/02/1033049602.db2.gz HIPWUXWJOVXREE-MRXNPFEDSA-N 1 1 336.439 3.501 20 30 EHEDMO CCC[N@@H+](Cc1cccc(C#N)n1)[C@H](C)C(=O)Nc1ccccc1C ZINC000602638740 1033049619 /nfs/dbraw/zinc/04/96/19/1033049619.db2.gz HIPWUXWJOVXREE-MRXNPFEDSA-N 1 1 336.439 3.501 20 30 EHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1C ZINC000110991648 1022412143 /nfs/dbraw/zinc/41/21/43/1022412143.db2.gz ZLWULKIGLRGDIH-LJQANCHMSA-N 1 1 337.467 3.660 20 30 EHEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1C ZINC000110991648 1022412150 /nfs/dbraw/zinc/41/21/50/1022412150.db2.gz ZLWULKIGLRGDIH-LJQANCHMSA-N 1 1 337.467 3.660 20 30 EHEDMO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000328668263 1022458352 /nfs/dbraw/zinc/45/83/52/1022458352.db2.gz DQJXXEDSXFRHEG-AEFFLSMTSA-N 1 1 344.503 3.835 20 30 EHEDMO CCc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N(CC)C[C@@H](C)C#N)o1 ZINC000303811913 1022519212 /nfs/dbraw/zinc/51/92/12/1022519212.db2.gz LHOKQJGECSPXOR-WMZOPIPTSA-N 1 1 345.487 3.767 20 30 EHEDMO CC(C)c1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)nn1C(C)(C)C ZINC000328912426 1022543712 /nfs/dbraw/zinc/54/37/12/1022543712.db2.gz HGFFFPHGMNOQAY-GDBMZVCRSA-N 1 1 332.492 3.693 20 30 EHEDMO C[NH+](C)C1(CNCc2cccc(OCc3ccccc3C#N)c2)CCC1 ZINC000438342159 1022580802 /nfs/dbraw/zinc/58/08/02/1022580802.db2.gz QSNNSDGXJFKFSK-UHFFFAOYSA-N 1 1 349.478 3.711 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000602664331 1033061906 /nfs/dbraw/zinc/06/19/06/1033061906.db2.gz URFMKYITHCDRDT-WBVHZDCISA-N 1 1 329.492 3.972 20 30 EHEDMO C[C@H](CCC#N)C[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000602664331 1033061919 /nfs/dbraw/zinc/06/19/19/1033061919.db2.gz URFMKYITHCDRDT-WBVHZDCISA-N 1 1 329.492 3.972 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000602664331 1033061931 /nfs/dbraw/zinc/06/19/31/1033061931.db2.gz URFMKYITHCDRDT-WBVHZDCISA-N 1 1 329.492 3.972 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000426013430 1022668426 /nfs/dbraw/zinc/66/84/26/1022668426.db2.gz OAQNNZCZUFMUSF-IEBWSBKVSA-N 1 1 329.488 3.647 20 30 EHEDMO CC(C)[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000438505213 1022743228 /nfs/dbraw/zinc/74/32/28/1022743228.db2.gz ZTVDPYIZBQJGHJ-CQSZACIVSA-N 1 1 345.512 3.805 20 30 EHEDMO COCC[N@@H+](CCc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000058932836 1033085160 /nfs/dbraw/zinc/08/51/60/1033085160.db2.gz PWMBQAVNCPSMSO-UHFFFAOYSA-N 1 1 328.843 3.903 20 30 EHEDMO C[NH+](C)[C@H](C(=O)NCC1(C#N)CCCCC1)c1cccc(Cl)c1 ZINC000598308597 1033087703 /nfs/dbraw/zinc/08/77/03/1033087703.db2.gz MMDIGJNXUDRXAN-INIZCTEOSA-N 1 1 333.863 3.533 20 30 EHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCSC[C@H]2CCO)cc1 ZINC000438651453 1022902538 /nfs/dbraw/zinc/90/25/38/1022902538.db2.gz NCXAVPWZTLMDNA-LJQANCHMSA-N 1 1 338.476 3.525 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000665955810 1033093264 /nfs/dbraw/zinc/09/32/64/1033093264.db2.gz CGUSKAZIZGRGAG-INIZCTEOSA-N 1 1 331.460 3.636 20 30 EHEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(C#N)cc1Cl ZINC000426144915 1022988412 /nfs/dbraw/zinc/98/84/12/1022988412.db2.gz WUMPCYPNZPMCMZ-MJBXVCDLSA-N 1 1 348.878 3.700 20 30 EHEDMO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n2c3ccccc3nc2c1C#N ZINC000333737587 1023022879 /nfs/dbraw/zinc/02/28/79/1023022879.db2.gz VFXLVRCGMLIMCX-MQVJKMGUSA-N 1 1 345.450 3.705 20 30 EHEDMO C[C@@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000438842476 1023048336 /nfs/dbraw/zinc/04/83/36/1023048336.db2.gz PTJZQCYMWHTPOS-ZIFCJYIRSA-N 1 1 342.487 3.594 20 30 EHEDMO C=C(C)CCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000459011389 1023073911 /nfs/dbraw/zinc/07/39/11/1023073911.db2.gz XJOZGRUFMUIEBC-HKUYNNGSSA-N 1 1 329.488 3.647 20 30 EHEDMO O[C@H](C[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)c1ccco1 ZINC000749523709 1023173212 /nfs/dbraw/zinc/17/32/12/1023173212.db2.gz ZONSCQALPKNBBB-FUHWJXTLSA-N 1 1 329.827 3.873 20 30 EHEDMO O[C@H](C[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)c1ccco1 ZINC000749523709 1023173219 /nfs/dbraw/zinc/17/32/19/1023173219.db2.gz ZONSCQALPKNBBB-FUHWJXTLSA-N 1 1 329.827 3.873 20 30 EHEDMO C=CCOc1ccc(CNC[C@@H](C2CCCCC2)[NH+](C)C)cc1OC ZINC000520950476 1023377022 /nfs/dbraw/zinc/37/70/22/1023377022.db2.gz XJNQJEIWXNHRPT-IBGZPJMESA-N 1 1 346.515 3.860 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(C#N)cc2)cc1 ZINC000058950300 1033130577 /nfs/dbraw/zinc/13/05/77/1033130577.db2.gz IDQVPMULOAVWIP-QGZVFWFLSA-N 1 1 347.462 3.863 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCC[C@]3(CCSC3)C2)cc(OC)c1O ZINC000449737683 1033136631 /nfs/dbraw/zinc/13/66/31/1033136631.db2.gz ZOOGUCSDOLCHIA-IBGZPJMESA-N 1 1 333.497 3.848 20 30 EHEDMO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH+]1CCN(CCC#N)CC1 ZINC000602748193 1033138102 /nfs/dbraw/zinc/13/81/02/1033138102.db2.gz LHWDFALDQGVHKP-QINSGFPZSA-N 1 1 337.389 3.640 20 30 EHEDMO COCC1(C#N)CC[NH+]([C@H](C)c2ccccc2Br)CC1 ZINC000341972555 1023726971 /nfs/dbraw/zinc/72/69/71/1023726971.db2.gz FXLRQGBMYGSZOG-CYBMUJFWSA-N 1 1 337.261 3.762 20 30 EHEDMO C=CC[C@@H](C)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000342067488 1023816618 /nfs/dbraw/zinc/81/66/18/1023816618.db2.gz DXWWYULJRRTKBH-SJORKVTESA-N 1 1 329.488 3.825 20 30 EHEDMO COc1ccc([C@H]([NH2+]Cc2ccnc(C#N)c2)c2ccc(F)cc2)cc1 ZINC000610955935 1023907270 /nfs/dbraw/zinc/90/72/70/1023907270.db2.gz JIJPCEHLXSQZJJ-OAQYLSRUSA-N 1 1 347.393 3.980 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C2CCC(=O)CC2)cc1 ZINC000329777892 1024190674 /nfs/dbraw/zinc/19/06/74/1024190674.db2.gz PMKNMYDKOYVFOW-CYBMUJFWSA-N 1 1 325.412 3.958 20 30 EHEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000329808278 1024202445 /nfs/dbraw/zinc/20/24/45/1024202445.db2.gz PEGHQSYMDVPQCJ-KZNAEPCWSA-N 1 1 344.503 3.965 20 30 EHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H]1CC[C@H](SCC)C1 ZINC000441616396 1024208958 /nfs/dbraw/zinc/20/89/58/1024208958.db2.gz UCDWUNWYFHKBPX-QRVBRYPASA-N 1 1 349.540 3.761 20 30 EHEDMO CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1cccc(Cl)c1 ZINC000434624398 1024221894 /nfs/dbraw/zinc/22/18/94/1024221894.db2.gz PSGVTJZAQXIMDA-UHFFFAOYSA-N 1 1 345.830 3.882 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1cccc(Cl)c1 ZINC000434624398 1024221905 /nfs/dbraw/zinc/22/19/05/1024221905.db2.gz PSGVTJZAQXIMDA-UHFFFAOYSA-N 1 1 345.830 3.882 20 30 EHEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000329857272 1024224906 /nfs/dbraw/zinc/22/49/06/1024224906.db2.gz YYZPDWQLQNIWST-BZNIZROVSA-N 1 1 345.830 3.782 20 30 EHEDMO CCc1nc(C)c(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)s1 ZINC000329899831 1024241436 /nfs/dbraw/zinc/24/14/36/1024241436.db2.gz FUNYGQIIPPLOMD-GDBMZVCRSA-N 1 1 344.484 3.785 20 30 EHEDMO C[N@@H+](CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1)[C@H]1CCSC1 ZINC000329957470 1024265554 /nfs/dbraw/zinc/26/55/54/1024265554.db2.gz PLSSBQLHRXLUEA-CSLYMUCUSA-N 1 1 337.533 3.879 20 30 EHEDMO C[C@H]1C[NH+](Cc2ccccc2NCc2cc(C#N)cs2)C[C@H](C)O1 ZINC000119489008 1024315584 /nfs/dbraw/zinc/31/55/84/1024315584.db2.gz GAWMFSOGPVVADC-GJZGRUSLSA-N 1 1 341.480 3.841 20 30 EHEDMO Cc1cccnc1OC1CC[NH+]([C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000330263396 1024377405 /nfs/dbraw/zinc/37/74/05/1024377405.db2.gz WLFMQXJNQFVFPI-INIZCTEOSA-N 1 1 345.487 3.911 20 30 EHEDMO CCNC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)c1 ZINC000330294243 1024440165 /nfs/dbraw/zinc/44/01/65/1024440165.db2.gz FDTKKYFDJDCGKR-MRXNPFEDSA-N 1 1 330.432 3.556 20 30 EHEDMO CCNC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CCC[N@H+]2C2CC2)c1 ZINC000330294243 1024440173 /nfs/dbraw/zinc/44/01/73/1024440173.db2.gz FDTKKYFDJDCGKR-MRXNPFEDSA-N 1 1 330.432 3.556 20 30 EHEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000434892455 1024477772 /nfs/dbraw/zinc/47/77/72/1024477772.db2.gz RPKIDGQUMODHTC-KXBFYZLASA-N 1 1 344.418 3.986 20 30 EHEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000434892452 1024477893 /nfs/dbraw/zinc/47/78/93/1024477893.db2.gz RPKIDGQUMODHTC-BEFAXECRSA-N 1 1 344.418 3.986 20 30 EHEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000434905938 1024496537 /nfs/dbraw/zinc/49/65/37/1024496537.db2.gz SIIZMSXAWWWDHJ-MJGOQNOKSA-N 1 1 339.483 3.549 20 30 EHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000435040652 1024564414 /nfs/dbraw/zinc/56/44/14/1024564414.db2.gz MJFIQFCXQYVUKH-PBEJRMEISA-N 1 1 348.446 3.725 20 30 EHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000435040652 1024564423 /nfs/dbraw/zinc/56/44/23/1024564423.db2.gz MJFIQFCXQYVUKH-PBEJRMEISA-N 1 1 348.446 3.725 20 30 EHEDMO COCC[N@@H+](C)CC[C@H](Nc1ccc(C#N)cc1F)c1ccccc1 ZINC000505631821 1024700875 /nfs/dbraw/zinc/70/08/75/1024700875.db2.gz KCIVTUBCMKGDDL-IBGZPJMESA-N 1 1 341.430 3.819 20 30 EHEDMO CC[C@@H]1C[N@@H+](Cc2csc(C#N)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000892105490 1024725512 /nfs/dbraw/zinc/72/55/12/1024725512.db2.gz LZKWNJOXBGNMSX-ZBFHGGJFSA-N 1 1 349.500 3.745 20 30 EHEDMO CCC[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000342285797 1024728554 /nfs/dbraw/zinc/72/85/54/1024728554.db2.gz MVIOUZNOJHCGRW-SFHVURJKSA-N 1 1 343.377 3.906 20 30 EHEDMO CC1CCC(N(C)C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000346508189 1024789148 /nfs/dbraw/zinc/78/91/48/1024789148.db2.gz UTZPQIPNAIMPRZ-UHFFFAOYSA-N 1 1 339.483 3.560 20 30 EHEDMO CC1CCC(N(C)C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000346508189 1024789157 /nfs/dbraw/zinc/78/91/57/1024789157.db2.gz UTZPQIPNAIMPRZ-UHFFFAOYSA-N 1 1 339.483 3.560 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)cc1F ZINC000602889476 1033236254 /nfs/dbraw/zinc/23/62/54/1033236254.db2.gz WHELXKIHASZPDF-QGZVFWFLSA-N 1 1 332.382 3.630 20 30 EHEDMO C=CCC1(O)CC[NH+](Cc2c(C)nn(CCCC)c2Cl)CC1 ZINC000895835431 1024900124 /nfs/dbraw/zinc/90/01/24/1024900124.db2.gz FZMVWLPJLSRERD-UHFFFAOYSA-N 1 1 325.884 3.548 20 30 EHEDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1F ZINC000346611194 1024953027 /nfs/dbraw/zinc/95/30/27/1024953027.db2.gz QWQNXYQADYIQIS-UHFFFAOYSA-N 1 1 339.414 3.937 20 30 EHEDMO Cc1ccc2nc(C[NH+]3CCC(Nc4ccccc4C#N)CC3)cn2c1 ZINC000602899492 1033249336 /nfs/dbraw/zinc/24/93/36/1033249336.db2.gz VAKGXEMFUPPHIF-UHFFFAOYSA-N 1 1 345.450 3.591 20 30 EHEDMO C=CCOC(=O)[C@@H](Nc1ccc([C@@H]2CCCC[N@H+]2C)cn1)[C@@H](C)CC ZINC001167959471 1025011503 /nfs/dbraw/zinc/01/15/03/1025011503.db2.gz GZOBZRJPYILMQL-IEZWGBDMSA-N 1 1 345.487 3.794 20 30 EHEDMO Cc1cc(C)c(C#N)c(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)n1 ZINC000428179870 1025034282 /nfs/dbraw/zinc/03/42/82/1025034282.db2.gz XYTNKVFPYANWHC-INIZCTEOSA-N 1 1 338.430 3.592 20 30 EHEDMO CN(Cc1cccc(F)c1C#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000428234479 1025057568 /nfs/dbraw/zinc/05/75/68/1025057568.db2.gz AYXPSDBSPJQOGR-GOSISDBHSA-N 1 1 337.442 3.651 20 30 EHEDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccccc2-c2ccccc2C#N)C[C@H]1C ZINC000346765461 1025062862 /nfs/dbraw/zinc/06/28/62/1025062862.db2.gz HJKTWXGLBZEMFM-SJORKVTESA-N 1 1 347.462 3.780 20 30 EHEDMO CCCCc1noc([C@H](C)[NH+]2CCC(c3ccc(C#N)cn3)CC2)n1 ZINC000602913374 1033261900 /nfs/dbraw/zinc/26/19/00/1033261900.db2.gz SPBNVGMGWJICOX-AWEZNQCLSA-N 1 1 339.443 3.619 20 30 EHEDMO C=CCNC(=O)C[N@@H+]([C@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000072018936 1025187291 /nfs/dbraw/zinc/18/72/91/1025187291.db2.gz FZWCAMTVTUBPMU-GFCCVEGCSA-N 1 1 326.362 3.533 20 30 EHEDMO C=CCNC(=O)C[N@H+]([C@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000072018936 1025187298 /nfs/dbraw/zinc/18/72/98/1025187298.db2.gz FZWCAMTVTUBPMU-GFCCVEGCSA-N 1 1 326.362 3.533 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3F)CC2)cc1 ZINC000084860448 1025203135 /nfs/dbraw/zinc/20/31/35/1025203135.db2.gz PRMLURBWVHFHTP-UHFFFAOYSA-N 1 1 341.405 3.544 20 30 EHEDMO CC(C)(C)c1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)s1 ZINC000515452876 1025248727 /nfs/dbraw/zinc/24/87/27/1025248727.db2.gz OJUCFNKSRHHTSM-UHFFFAOYSA-N 1 1 340.496 3.634 20 30 EHEDMO Fc1cc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc(F)c1F ZINC000896227621 1025263172 /nfs/dbraw/zinc/26/31/72/1025263172.db2.gz NOMDIDOFOVEFNB-GFCCVEGCSA-N 1 1 327.243 3.970 20 30 EHEDMO Fc1cc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc(F)c1F ZINC000896227621 1025263183 /nfs/dbraw/zinc/26/31/83/1025263183.db2.gz NOMDIDOFOVEFNB-GFCCVEGCSA-N 1 1 327.243 3.970 20 30 EHEDMO COc1cc(C[NH2+]C2CCN(Cc3ccccc3C)CC2)ccc1C#N ZINC000281781362 1025471223 /nfs/dbraw/zinc/47/12/23/1025471223.db2.gz TUOXGQIBIRCHLU-UHFFFAOYSA-N 1 1 349.478 3.630 20 30 EHEDMO COCC[N@@H+](CCCc1ccccc1)Cc1ccc(C#N)c(OC)c1 ZINC000442808999 1025504798 /nfs/dbraw/zinc/50/47/98/1025504798.db2.gz ISFCTQGBWARUFR-UHFFFAOYSA-N 1 1 338.451 3.648 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[NH+]1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187724598 1025535738 /nfs/dbraw/zinc/53/57/38/1025535738.db2.gz PVQOIQZFCAYRCS-HDICACEKSA-N 1 1 344.462 3.870 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187724598 1025535750 /nfs/dbraw/zinc/53/57/50/1025535750.db2.gz PVQOIQZFCAYRCS-HDICACEKSA-N 1 1 344.462 3.870 20 30 EHEDMO Cc1ccccc1[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000263661554 1025540502 /nfs/dbraw/zinc/54/05/02/1025540502.db2.gz DRZLTAJKNYIOPF-SFHVURJKSA-N 1 1 333.435 3.685 20 30 EHEDMO COc1cc(C[N@H+](C)Cc2ccc(SC)c(OC)c2)ccc1C#N ZINC000442886658 1025568285 /nfs/dbraw/zinc/56/82/85/1025568285.db2.gz TUGYOUGTGZOSIT-UHFFFAOYSA-N 1 1 342.464 3.929 20 30 EHEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000329050538 1025579374 /nfs/dbraw/zinc/57/93/74/1025579374.db2.gz GZVISAOQXYQSMU-BQFCYCMXSA-N 1 1 346.471 3.604 20 30 EHEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000329050538 1025579384 /nfs/dbraw/zinc/57/93/84/1025579384.db2.gz GZVISAOQXYQSMU-BQFCYCMXSA-N 1 1 346.471 3.604 20 30 EHEDMO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3cccc(C(C)C)c3)C2)n1 ZINC000329069496 1025586392 /nfs/dbraw/zinc/58/63/92/1025586392.db2.gz YCWTVHLPQPNEJR-HNNXBMFYSA-N 1 1 328.416 3.579 20 30 EHEDMO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3cccc(C(C)C)c3)C2)n1 ZINC000329069496 1025586396 /nfs/dbraw/zinc/58/63/96/1025586396.db2.gz YCWTVHLPQPNEJR-HNNXBMFYSA-N 1 1 328.416 3.579 20 30 EHEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000329109146 1025607727 /nfs/dbraw/zinc/60/77/27/1025607727.db2.gz PUAUEWBFXLSJQT-AWEZNQCLSA-N 1 1 329.444 3.745 20 30 EHEDMO Cc1cc(C)n([C@H](C)C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000329131944 1025620373 /nfs/dbraw/zinc/62/03/73/1025620373.db2.gz OZQMBKSUQVHEDO-ZHALLVOQSA-N 1 1 340.471 3.853 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)COc1ccccc1Cl ZINC000425532424 1025658716 /nfs/dbraw/zinc/65/87/16/1025658716.db2.gz BPRLNYLBALVTAN-PBHICJAKSA-N 1 1 344.842 3.644 20 30 EHEDMO COc1cccc(NC(=O)CC[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425529422 1025665994 /nfs/dbraw/zinc/66/59/94/1025665994.db2.gz BTEICRUZOCXZRK-HNNXBMFYSA-N 1 1 337.423 3.588 20 30 EHEDMO C[C@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ncon1 ZINC000329230339 1025683353 /nfs/dbraw/zinc/68/33/53/1025683353.db2.gz DJRWWBLBVKVPSG-GXTWGEPZSA-N 1 1 343.431 3.594 20 30 EHEDMO C[C@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ncon1 ZINC000329230340 1025684641 /nfs/dbraw/zinc/68/46/41/1025684641.db2.gz DJRWWBLBVKVPSG-JSGCOSHPSA-N 1 1 343.431 3.594 20 30 EHEDMO CC(C)C[N@@H+](CC(=O)NCC1CCCCC1)Cc1ccc(C#N)cc1 ZINC000521821761 1025711046 /nfs/dbraw/zinc/71/10/46/1025711046.db2.gz UTUUZERYHDIOPV-UHFFFAOYSA-N 1 1 341.499 3.713 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000347261431 1025757040 /nfs/dbraw/zinc/75/70/40/1025757040.db2.gz AOOJJVZNYRSYLF-HXUWFJFHSA-N 1 1 336.435 3.748 20 30 EHEDMO NC(=O)C1(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000329484490 1025911965 /nfs/dbraw/zinc/91/19/65/1025911965.db2.gz SHMFCSAVLMLXAB-CYBMUJFWSA-N 1 1 330.432 3.518 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C1CC1 ZINC000151766848 1025967575 /nfs/dbraw/zinc/96/75/75/1025967575.db2.gz WRQIAXXKJBHXQW-UHFFFAOYSA-N 1 1 335.407 3.773 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](OCC)[C@H](C)C1 ZINC000451523999 1026076961 /nfs/dbraw/zinc/07/69/61/1026076961.db2.gz KGFQXYYHQNPAKH-WBVHZDCISA-N 1 1 348.512 3.650 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](OCC)[C@H](C)C1 ZINC000451523999 1026076978 /nfs/dbraw/zinc/07/69/78/1026076978.db2.gz KGFQXYYHQNPAKH-WBVHZDCISA-N 1 1 348.512 3.650 20 30 EHEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000277583399 1026157816 /nfs/dbraw/zinc/15/78/16/1026157816.db2.gz CLTQMJYMAPPZPB-QGZVFWFLSA-N 1 1 331.435 3.583 20 30 EHEDMO COC(=O)[C@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@H]1c1ccccc1 ZINC000452005673 1026443321 /nfs/dbraw/zinc/44/33/21/1026443321.db2.gz MRNOXSKPXNEJOE-ROUUACIJSA-N 1 1 328.456 3.595 20 30 EHEDMO N#CCSCCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000152683715 1026533618 /nfs/dbraw/zinc/53/36/18/1026533618.db2.gz XUJXLTMBUCBJIL-CQSZACIVSA-N 1 1 335.542 3.848 20 30 EHEDMO CC(C)(C#N)CCCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000277685103 1026545543 /nfs/dbraw/zinc/54/55/43/1026545543.db2.gz KTOHYJRCHDBVSQ-OALUTQOASA-N 1 1 330.472 3.531 20 30 EHEDMO C[C@H](C(=O)Nc1ccc(CC#N)cc1Cl)[N@H+](C)Cc1ccccc1 ZINC000452648455 1026896957 /nfs/dbraw/zinc/89/69/57/1026896957.db2.gz VJDKGJSGTWTDBO-CQSZACIVSA-N 1 1 341.842 3.865 20 30 EHEDMO C[C@H](C(=O)Nc1ccc(CC#N)cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000452648455 1026896968 /nfs/dbraw/zinc/89/69/68/1026896968.db2.gz VJDKGJSGTWTDBO-CQSZACIVSA-N 1 1 341.842 3.865 20 30 EHEDMO COc1ccc(CN2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1C#N ZINC000340196162 1026909934 /nfs/dbraw/zinc/90/99/34/1026909934.db2.gz XGJGFNJIVZYNEO-GOSISDBHSA-N 1 1 349.478 3.663 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1 ZINC000048776605 1026975187 /nfs/dbraw/zinc/97/51/87/1026975187.db2.gz RABGBPFLINUZFF-UHFFFAOYSA-N 1 1 328.419 3.522 20 30 EHEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475452216 1027007377 /nfs/dbraw/zinc/00/73/77/1027007377.db2.gz JBZPHPUGDUCXCR-WOJBJXKFSA-N 1 1 341.499 3.845 20 30 EHEDMO CC1CC(C#N)(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000531557802 1027043058 /nfs/dbraw/zinc/04/30/58/1027043058.db2.gz NDIQQZQRMDGBBH-LSWWBPAMSA-N 1 1 325.456 3.797 20 30 EHEDMO COc1cc(C#N)ccc1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000501253301 1027156044 /nfs/dbraw/zinc/15/60/44/1027156044.db2.gz LJGLCHIVCFQGNF-UHFFFAOYSA-N 1 1 341.842 3.542 20 30 EHEDMO C=CCN(Cc1ccccc1)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000501500094 1027319085 /nfs/dbraw/zinc/31/90/85/1027319085.db2.gz CGOPPUFQTXRTER-ROUUACIJSA-N 1 1 329.488 3.505 20 30 EHEDMO CC(C)[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC1CC1 ZINC000532664155 1027579613 /nfs/dbraw/zinc/57/96/13/1027579613.db2.gz UXWHVOXHZUASEK-HNNXBMFYSA-N 1 1 345.512 3.997 20 30 EHEDMO COc1ccc(C[N@@H+](Cc2ccccc2C#N)CC2CC2)c(OC)c1 ZINC000503206467 1027656602 /nfs/dbraw/zinc/65/66/02/1027656602.db2.gz OKUJMZVOJNAQII-UHFFFAOYSA-N 1 1 336.435 3.988 20 30 EHEDMO COc1ccc(C[N@H+](Cc2ccccc2C#N)CC2CC2)c(OC)c1 ZINC000503206467 1027656609 /nfs/dbraw/zinc/65/66/09/1027656609.db2.gz OKUJMZVOJNAQII-UHFFFAOYSA-N 1 1 336.435 3.988 20 30 EHEDMO COCC[N@@H+](CCc1ccc(F)c(F)c1)Cc1ccc(C#N)cc1 ZINC000151990473 1027737601 /nfs/dbraw/zinc/73/76/01/1027737601.db2.gz DOWLZNBAMRYHFL-UHFFFAOYSA-N 1 1 330.378 3.528 20 30 EHEDMO C=CCCC[N@H+](C)Cc1csc(-c2ccc(C(=O)OC)cc2)n1 ZINC000533438709 1027846596 /nfs/dbraw/zinc/84/65/96/1027846596.db2.gz ZXGNIACMHPHNHA-UHFFFAOYSA-N 1 1 330.453 3.995 20 30 EHEDMO C[C@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1ccc(OCC#N)cc1 ZINC000359864421 1027859083 /nfs/dbraw/zinc/85/90/83/1027859083.db2.gz BZUZCQAAZHTVBG-ZBEGNZNMSA-N 1 1 330.334 3.651 20 30 EHEDMO C[C@H]1C[C@@H](CO)C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000420941039 1027894037 /nfs/dbraw/zinc/89/40/37/1027894037.db2.gz NKUQMTBLVKAWRD-VQTJNVASSA-N 1 1 348.490 3.837 20 30 EHEDMO N#CCc1ccc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000347374074 1027898010 /nfs/dbraw/zinc/89/80/10/1027898010.db2.gz OJBWOIZYFHSIQO-RBUKOAKNSA-N 1 1 338.476 3.753 20 30 EHEDMO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459360265 1027915843 /nfs/dbraw/zinc/91/58/43/1027915843.db2.gz RIGLJKAYZZFKKX-CQSZACIVSA-N 1 1 339.395 3.538 20 30 EHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459360265 1027915854 /nfs/dbraw/zinc/91/58/54/1027915854.db2.gz RIGLJKAYZZFKKX-CQSZACIVSA-N 1 1 339.395 3.538 20 30 EHEDMO C=CCOc1c(Cl)cc(C[N@@H+](C)CC2CCOCC2)cc1OC ZINC000628170022 1027980224 /nfs/dbraw/zinc/98/02/24/1027980224.db2.gz OGDXIUQWIUFQDF-UHFFFAOYSA-N 1 1 339.863 3.772 20 30 EHEDMO Cc1c([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)nnn1-c1ccc(F)cc1 ZINC000582845403 1027992568 /nfs/dbraw/zinc/99/25/68/1027992568.db2.gz SKNMTDCHORNNQU-CQSZACIVSA-N 1 1 349.413 3.632 20 30 EHEDMO C[C@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1O ZINC000444684039 1028153688 /nfs/dbraw/zinc/15/36/88/1028153688.db2.gz KADAVPDHRXHXRL-RXVVDRJESA-N 1 1 334.463 3.589 20 30 EHEDMO Cc1ccc(F)c(C[N@@H+](C)CCC(=O)Nc2sccc2C#N)c1 ZINC000444728874 1028193285 /nfs/dbraw/zinc/19/32/85/1028193285.db2.gz CJGLREGQVILLIS-UHFFFAOYSA-N 1 1 331.416 3.528 20 30 EHEDMO CCC[C@@]1(CO)CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000444775375 1028267808 /nfs/dbraw/zinc/26/78/08/1028267808.db2.gz IFBOCGOPWWSQFV-KRWDZBQOSA-N 1 1 341.373 3.564 20 30 EHEDMO C=CC[C@H]1[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)CCCC1(C)C ZINC000444788834 1028289307 /nfs/dbraw/zinc/28/93/07/1028289307.db2.gz YCZZEJVCKRVZDM-IEBWSBKVSA-N 1 1 342.483 3.693 20 30 EHEDMO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440571731 1028297209 /nfs/dbraw/zinc/29/72/09/1028297209.db2.gz ZUXDFHXUWQHPKG-LIVBEALHSA-N 1 1 328.431 3.867 20 30 EHEDMO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440571731 1028297225 /nfs/dbraw/zinc/29/72/25/1028297225.db2.gz ZUXDFHXUWQHPKG-LIVBEALHSA-N 1 1 328.431 3.867 20 30 EHEDMO COc1cc(C[NH2+][C@@H](c2ccccc2)c2cccnc2)ccc1C#N ZINC000366922672 1028350240 /nfs/dbraw/zinc/35/02/40/1028350240.db2.gz QKLQIYGADTZHJQ-NRFANRHFSA-N 1 1 329.403 3.841 20 30 EHEDMO C[C@H]([NH2+][C@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1cccc(C#N)c1 ZINC000423380328 1028400434 /nfs/dbraw/zinc/40/04/34/1028400434.db2.gz YJPRWSQIOFJTSG-ROOHIHILSA-N 1 1 341.405 3.633 20 30 EHEDMO CCCC(C)(C)[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1cccs1 ZINC000582977049 1028422130 /nfs/dbraw/zinc/42/21/30/1028422130.db2.gz FMEAACDMKMNGIU-UHFFFAOYSA-N 1 1 333.501 3.691 20 30 EHEDMO C=CC[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1ccccc1 ZINC000502632454 1028487428 /nfs/dbraw/zinc/48/74/28/1028487428.db2.gz GSFPUGTYFSWGAE-UXHICEINSA-N 1 1 326.484 3.856 20 30 EHEDMO C=CC[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1ccccc1 ZINC000502632454 1028487436 /nfs/dbraw/zinc/48/74/36/1028487436.db2.gz GSFPUGTYFSWGAE-UXHICEINSA-N 1 1 326.484 3.856 20 30 EHEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1cccc(OCCCC#N)c1 ZINC000237518374 1028652857 /nfs/dbraw/zinc/65/28/57/1028652857.db2.gz VTEYGKGBASUCLK-CEXWTWQISA-N 1 1 343.515 3.825 20 30 EHEDMO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237518374 1028652868 /nfs/dbraw/zinc/65/28/68/1028652868.db2.gz VTEYGKGBASUCLK-CEXWTWQISA-N 1 1 343.515 3.825 20 30 EHEDMO COc1cc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)ccc1C#N ZINC000367092493 1028824070 /nfs/dbraw/zinc/82/40/70/1028824070.db2.gz FNBZWXWSXQQENE-NRFANRHFSA-N 1 1 329.403 3.841 20 30 EHEDMO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(SCC(F)F)cc2)nn1 ZINC000424296485 1028938629 /nfs/dbraw/zinc/93/86/29/1028938629.db2.gz OSGSXYRPYLHQSG-LBPRGKRZSA-N 1 1 338.427 3.672 20 30 EHEDMO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000130221090 1028944665 /nfs/dbraw/zinc/94/46/65/1028944665.db2.gz JFGIWPHDJXYPHH-QGZVFWFLSA-N 1 1 342.830 3.628 20 30 EHEDMO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000130221090 1028944673 /nfs/dbraw/zinc/94/46/73/1028944673.db2.gz JFGIWPHDJXYPHH-QGZVFWFLSA-N 1 1 342.830 3.628 20 30 EHEDMO Cc1cc(C)c2ncc(C#N)c(N3CCC4(CCC[N@@H+]4C)CC3)c2c1 ZINC000445592047 1028952585 /nfs/dbraw/zinc/95/25/85/1028952585.db2.gz OCTZODIGNBFZNR-UHFFFAOYSA-N 1 1 334.467 3.788 20 30 EHEDMO CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000248904979 1028963224 /nfs/dbraw/zinc/96/32/24/1028963224.db2.gz XSFIYHURJPTKQV-HZPDHXFCSA-N 1 1 331.435 3.583 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(C#N)cc1 ZINC000487515920 1029007269 /nfs/dbraw/zinc/00/72/69/1029007269.db2.gz LSLPCYALIFSFBC-UZLBHIALSA-N 1 1 348.450 3.590 20 30 EHEDMO CC[N@@H+](CCCCC(C)(C)C#N)CC(=O)Nc1cccc(OC)c1 ZINC000278104778 1029031948 /nfs/dbraw/zinc/03/19/48/1029031948.db2.gz KPQDGZVLIODGGV-UHFFFAOYSA-N 1 1 331.460 3.676 20 30 EHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000076734445 1029039756 /nfs/dbraw/zinc/03/97/56/1029039756.db2.gz YEAMHBYZJGTZOG-AWEZNQCLSA-N 1 1 331.485 3.541 20 30 EHEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H](C)C(C)(C)C)c(OC)c1 ZINC000532927988 1029053533 /nfs/dbraw/zinc/05/35/33/1029053533.db2.gz IGVXMWJNRPHRAK-RDJZCZTQSA-N 1 1 335.488 3.530 20 30 EHEDMO C=CCCc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000505035330 1029149206 /nfs/dbraw/zinc/14/92/06/1029149206.db2.gz LKRKJBNMJUYDAV-QFBILLFUSA-N 1 1 329.488 3.999 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1F ZINC000191911064 1029153092 /nfs/dbraw/zinc/15/30/92/1029153092.db2.gz 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/nfs/dbraw/zinc/38/96/55/1033389655.db2.gz SXNUYUAIKJLGES-QRQLOZEOSA-N 1 1 342.487 3.546 20 30 EHEDMO CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(C#N)cc1 ZINC000061001611 1033411944 /nfs/dbraw/zinc/41/19/44/1033411944.db2.gz HLVRCFMUGOYKBH-UHFFFAOYSA-N 1 1 339.395 3.757 20 30 EHEDMO CCCCCC[N@H+](Cc1ccco1)Cc1cnc2c(C#N)cnn2c1 ZINC000898338575 1033459231 /nfs/dbraw/zinc/45/92/31/1033459231.db2.gz OZARCWAEFRTRFV-UHFFFAOYSA-N 1 1 337.427 3.776 20 30 EHEDMO CCCCCC[N@@H+](Cc1ccco1)Cc1cnc2c(C#N)cnn2c1 ZINC000898338575 1033459240 /nfs/dbraw/zinc/45/92/40/1033459240.db2.gz OZARCWAEFRTRFV-UHFFFAOYSA-N 1 1 337.427 3.776 20 30 EHEDMO CC1(C)CCCN(c2cc[nH+]c(NCc3ccc(CC#N)cc3)n2)C1 ZINC000594585928 1033460884 /nfs/dbraw/zinc/46/08/84/1033460884.db2.gz ISEMHXCZHJVNOI-UHFFFAOYSA-N 1 1 335.455 3.781 20 30 EHEDMO CC(C)(CCC#N)C[N@@H+]1CCOc2cccc(Br)c2C1 ZINC000594624494 1033466317 /nfs/dbraw/zinc/46/63/17/1033466317.db2.gz REEVEJBSHSXYES-UHFFFAOYSA-N 1 1 337.261 3.973 20 30 EHEDMO CC(C)(CCC#N)C[N@H+]1CCOc2cccc(Br)c2C1 ZINC000594624494 1033466326 /nfs/dbraw/zinc/46/63/26/1033466326.db2.gz REEVEJBSHSXYES-UHFFFAOYSA-N 1 1 337.261 3.973 20 30 EHEDMO C=C1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000594733845 1033507254 /nfs/dbraw/zinc/50/72/54/1033507254.db2.gz ZBMKHMSSEUTQMZ-LBPRGKRZSA-N 1 1 327.255 3.823 20 30 EHEDMO C[C@H](NCc1ccc(C2(C#N)CC2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000594944282 1033591068 /nfs/dbraw/zinc/59/10/68/1033591068.db2.gz SNAJBLJFYYKWFS-HKUYNNGSSA-N 1 1 337.511 3.984 20 30 EHEDMO C[C@H](NCc1ccc(C2(C#N)CC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000594944282 1033591078 /nfs/dbraw/zinc/59/10/78/1033591078.db2.gz SNAJBLJFYYKWFS-HKUYNNGSSA-N 1 1 337.511 3.984 20 30 EHEDMO CC(C)[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000063750975 1033668123 /nfs/dbraw/zinc/66/81/23/1033668123.db2.gz NJYJIMSOBJZAHC-GOSISDBHSA-N 1 1 349.478 3.988 20 30 EHEDMO COc1cc([C@H](C)[NH2+]CC2(C#N)CCCCC2)cc(OC)c1OC ZINC000595096673 1033702750 /nfs/dbraw/zinc/70/27/50/1033702750.db2.gz DUUCNVZNSRJJAU-AWEZNQCLSA-N 1 1 332.444 3.837 20 30 EHEDMO Cn1cc[nH+]c1C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000078558916 1033706214 /nfs/dbraw/zinc/70/62/14/1033706214.db2.gz LOLFXSQLWJVUSD-QGZVFWFLSA-N 1 1 347.378 3.596 20 30 EHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 ZINC000595334121 1033732732 /nfs/dbraw/zinc/73/27/32/1033732732.db2.gz MHOBQXYXOUCLJG-KOUHRCEDSA-N 1 1 325.500 3.736 20 30 EHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@H](Cc4ccccc4)C3)o2)c1 ZINC000075767108 1033741433 /nfs/dbraw/zinc/74/14/33/1033741433.db2.gz IAYQTOOBXQXURA-GOSISDBHSA-N 1 1 344.418 3.673 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000594235495 1033790400 /nfs/dbraw/zinc/79/04/00/1033790400.db2.gz WTPMEBYYONDRCS-ROUUACIJSA-N 1 1 341.499 3.508 20 30 EHEDMO C=CCC[C@@H]([NH2+]Cc1[nH]nc(C)c1C(=O)OCC)c1ccccc1 ZINC000595418006 1033792436 /nfs/dbraw/zinc/79/24/36/1033792436.db2.gz NFAIKXUVMMJPDX-MRXNPFEDSA-N 1 1 327.428 3.692 20 30 EHEDMO C[C@H](c1ccsc1)[NH+]1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595438864 1033803737 /nfs/dbraw/zinc/80/37/37/1033803737.db2.gz IRNVOWZBWGUXNZ-MRXNPFEDSA-N 1 1 325.481 3.541 20 30 EHEDMO C[N@H+]1CC[C@H](N[C@@H](C#N)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000595478151 1033824326 /nfs/dbraw/zinc/82/43/26/1033824326.db2.gz YDYWRPDHAQITOF-GBESFXJTSA-N 1 1 325.843 3.940 20 30 EHEDMO COc1cccc([C@@H]2[C@@H](N[C@H](C#N)c3ccccc3)CC[N@@H+]2C2CC2)c1 ZINC000595476766 1033824561 /nfs/dbraw/zinc/82/45/61/1033824561.db2.gz PACDLABOCKBSMI-BHDDXSALSA-N 1 1 347.462 3.827 20 30 EHEDMO COc1cccc([C@@H]2[C@@H](N[C@H](C#N)c3ccccc3)CC[N@H+]2C2CC2)c1 ZINC000595476766 1033824582 /nfs/dbraw/zinc/82/45/82/1033824582.db2.gz PACDLABOCKBSMI-BHDDXSALSA-N 1 1 347.462 3.827 20 30 EHEDMO N#Cc1ccccc1C[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000595505246 1033834391 /nfs/dbraw/zinc/83/43/91/1033834391.db2.gz RFEKNLLAEZTFPQ-UHFFFAOYSA-N 1 1 327.378 3.549 20 30 EHEDMO N#Cc1ccccc1C[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000595505246 1033834405 /nfs/dbraw/zinc/83/44/05/1033834405.db2.gz RFEKNLLAEZTFPQ-UHFFFAOYSA-N 1 1 327.378 3.549 20 30 EHEDMO N#CC1(C[C@H](O)C[N@H+]2CCCCC[C@@H]2c2ccccc2)CCOCC1 ZINC000599265364 1033841994 /nfs/dbraw/zinc/84/19/94/1033841994.db2.gz QMHKKSUBPLHZGW-VQTJNVASSA-N 1 1 342.483 3.675 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC3(CCCC3)C2)c1C ZINC000174265664 1033855131 /nfs/dbraw/zinc/85/51/31/1033855131.db2.gz NFUAEQAYMHXHNA-UHFFFAOYSA-N 1 1 339.483 3.816 20 30 EHEDMO C[C@@H](c1ccccc1)[N@@H+](C[C@H](O)COc1ccccc1C#N)C1CC1 ZINC000599319538 1033867393 /nfs/dbraw/zinc/86/73/93/1033867393.db2.gz HMQKDDIZYIVCSW-JXFKEZNVSA-N 1 1 336.435 3.524 20 30 EHEDMO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595619534 1033904120 /nfs/dbraw/zinc/90/41/20/1033904120.db2.gz COZBGHNUFMAAOQ-HZPDHXFCSA-N 1 1 339.439 3.578 20 30 EHEDMO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595619534 1033904123 /nfs/dbraw/zinc/90/41/23/1033904123.db2.gz COZBGHNUFMAAOQ-HZPDHXFCSA-N 1 1 339.439 3.578 20 30 EHEDMO N#CC[C@H]1CCC[N@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000595609579 1033920955 /nfs/dbraw/zinc/92/09/55/1033920955.db2.gz MQYFHQKQYDOPJY-MSOLQXFVSA-N 1 1 347.462 3.781 20 30 EHEDMO N#CC[C@@H]1CCC[N@@H+]([C@@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000595612605 1033924282 /nfs/dbraw/zinc/92/42/82/1033924282.db2.gz YIYUVDSJVBNWSO-PZJWPPBQSA-N 1 1 347.462 3.670 20 30 EHEDMO N#CC[C@@H]1CCC[N@H+]([C@@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000595612605 1033924293 /nfs/dbraw/zinc/92/42/93/1033924293.db2.gz YIYUVDSJVBNWSO-PZJWPPBQSA-N 1 1 347.462 3.670 20 30 EHEDMO Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1C#N ZINC000599415314 1033926733 /nfs/dbraw/zinc/92/67/33/1033926733.db2.gz NBXKCLKBFLTGPW-VSKRKVRLSA-N 1 1 332.447 3.871 20 30 EHEDMO C[NH+](C)[C@@H](CNc1ncc(C#N)cc1Cl)c1ccccc1Cl ZINC000608884941 1033943254 /nfs/dbraw/zinc/94/32/54/1033943254.db2.gz QZGXKOYIHOMMHL-HNNXBMFYSA-N 1 1 335.238 3.975 20 30 EHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1CCO ZINC000595690165 1033946639 /nfs/dbraw/zinc/94/66/39/1033946639.db2.gz WFNMAMCUYZMYGU-MLGOLLRUSA-N 1 1 326.362 3.560 20 30 EHEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2C2CCCCC2)cc1 ZINC000603840793 1033952629 /nfs/dbraw/zinc/95/26/29/1033952629.db2.gz UPISQEAYPDCZKE-FPOVZHCZSA-N 1 1 342.483 3.537 20 30 EHEDMO CCCc1nc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cs1 ZINC000595774037 1033966240 /nfs/dbraw/zinc/96/62/40/1033966240.db2.gz NAVNWNCARJBWRP-UHFFFAOYSA-N 1 1 341.480 3.763 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CCF)C2)c(Br)c1 ZINC000595755184 1033983475 /nfs/dbraw/zinc/98/34/75/1033983475.db2.gz HVGPHFITGODTOI-LBPRGKRZSA-N 1 1 325.225 3.892 20 30 EHEDMO C[C@@]1(C#N)CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000595841603 1034004148 /nfs/dbraw/zinc/00/41/48/1034004148.db2.gz WCJPYXJADUDJMH-HNNXBMFYSA-N 1 1 326.227 3.558 20 30 EHEDMO C[C@@]1(C#N)CC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000595841603 1034004163 /nfs/dbraw/zinc/00/41/63/1034004163.db2.gz WCJPYXJADUDJMH-HNNXBMFYSA-N 1 1 326.227 3.558 20 30 EHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCC(F)(F)CC1 ZINC000599551773 1034007379 /nfs/dbraw/zinc/00/73/79/1034007379.db2.gz BCXWXHUVCKCEPR-LLVKDONJSA-N 1 1 341.789 3.660 20 30 EHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCCC(F)(F)CC1 ZINC000599551773 1034007392 /nfs/dbraw/zinc/00/73/92/1034007392.db2.gz BCXWXHUVCKCEPR-LLVKDONJSA-N 1 1 341.789 3.660 20 30 EHEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1 ZINC000593125906 1034011156 /nfs/dbraw/zinc/01/11/56/1034011156.db2.gz QTDQRSZJHPGXEM-FKBYEOEOSA-N 1 1 348.446 3.932 20 30 EHEDMO CC[N@H+](CCOc1ccccc1OC)Cc1cccc(F)c1C#N ZINC000595883853 1034021101 /nfs/dbraw/zinc/02/11/01/1034021101.db2.gz BKEAFZUUWXGFDJ-UHFFFAOYSA-N 1 1 328.387 3.607 20 30 EHEDMO CC[N@@H+](CCOc1ccccc1OC)Cc1cccc(F)c1C#N ZINC000595883853 1034021112 /nfs/dbraw/zinc/02/11/12/1034021112.db2.gz BKEAFZUUWXGFDJ-UHFFFAOYSA-N 1 1 328.387 3.607 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+](C1CC1)C1CC1 ZINC000599599513 1034041254 /nfs/dbraw/zinc/04/12/54/1034041254.db2.gz LCOJIIUHVDPYBL-CYBMUJFWSA-N 1 1 329.469 3.504 20 30 EHEDMO C[C@]12CCCC[C@H]1C[N@H+]2CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000599676142 1034084425 /nfs/dbraw/zinc/08/44/25/1034084425.db2.gz ZBVFXZORGSJRAS-KXBFYZLASA-N 1 1 345.874 3.851 20 30 EHEDMO C[C@@H](CCNc1nc2ncccc2cc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000596150929 1034095908 /nfs/dbraw/zinc/09/59/08/1034095908.db2.gz FIRSXWABZJGAPV-INIZCTEOSA-N 1 1 345.450 3.824 20 30 EHEDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)Cc2ccccc21 ZINC000599683697 1034113152 /nfs/dbraw/zinc/11/31/52/1034113152.db2.gz XFOXRVRWGFMLHJ-LJQANCHMSA-N 1 1 348.446 3.760 20 30 EHEDMO C=C(C)Cc1cccc(C(=O)OC)c1OCCCn1cc[nH+]c1C ZINC000596288991 1034146673 /nfs/dbraw/zinc/14/66/73/1034146673.db2.gz UBEKZUNEVDKTAD-UHFFFAOYSA-N 1 1 328.412 3.566 20 30 EHEDMO N#Cc1ccc(C(F)(F)F)nc1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596569731 1034291621 /nfs/dbraw/zinc/29/16/21/1034291621.db2.gz DFIUZIQPEKUJQT-ZDUSSCGKSA-N 1 1 338.377 3.506 20 30 EHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@H]1C ZINC000593189891 1034297569 /nfs/dbraw/zinc/29/75/69/1034297569.db2.gz BGDZYURBGPIJNK-MRVWCRGKSA-N 1 1 341.480 3.635 20 30 EHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@H]1C ZINC000593189891 1034297577 /nfs/dbraw/zinc/29/75/77/1034297577.db2.gz BGDZYURBGPIJNK-MRVWCRGKSA-N 1 1 341.480 3.635 20 30 EHEDMO CC[N@@H+](Cc1cnc2nc(C)cc(C)n12)[C@H](C)c1ccc(C#N)cc1 ZINC000179463734 1034326412 /nfs/dbraw/zinc/32/64/12/1034326412.db2.gz SXNZWOCQEOTWKN-MRXNPFEDSA-N 1 1 333.439 3.801 20 30 EHEDMO C[C@@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000604483503 1034389142 /nfs/dbraw/zinc/38/91/42/1034389142.db2.gz YEJYIUOIDQFWSU-QGZVFWFLSA-N 1 1 331.463 3.974 20 30 EHEDMO COCC[N@@H+](CCSc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000604494643 1034400248 /nfs/dbraw/zinc/40/02/48/1034400248.db2.gz PYAHBZUIDMZZHB-UHFFFAOYSA-N 1 1 344.455 3.938 20 30 EHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000604500743 1034402346 /nfs/dbraw/zinc/40/23/46/1034402346.db2.gz NYQOSRRFELPJAX-LJQANCHMSA-N 1 1 336.435 3.856 20 30 EHEDMO N#CC1(c2ccc(C[N@H+]3CCO[C@@]4(CCc5ccccc54)C3)cc2)CC1 ZINC000597012682 1034490626 /nfs/dbraw/zinc/49/06/26/1034490626.db2.gz YSXZFZRZZGPEPN-QHCPKHFHSA-N 1 1 344.458 3.916 20 30 EHEDMO CCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1 ZINC000061780675 1034513972 /nfs/dbraw/zinc/51/39/72/1034513972.db2.gz QOIUYDOBEXFZCA-UHFFFAOYSA-N 1 1 327.472 3.583 20 30 EHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000597175090 1034581113 /nfs/dbraw/zinc/58/11/13/1034581113.db2.gz WAFZPPGHXKVVDC-HNNXBMFYSA-N 1 1 328.847 3.710 20 30 EHEDMO N#CC[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000597175090 1034581118 /nfs/dbraw/zinc/58/11/18/1034581118.db2.gz WAFZPPGHXKVVDC-HNNXBMFYSA-N 1 1 328.847 3.710 20 30 EHEDMO COC(=O)c1cccc(C[N@H+](Cc2ccccc2C)C2CC2)c1C#N ZINC000534487138 1034593055 /nfs/dbraw/zinc/59/30/55/1034593055.db2.gz NTQGTTWNQORNQA-UHFFFAOYSA-N 1 1 334.419 3.818 20 30 EHEDMO COC(=O)c1cccc(C[N@@H+](Cc2ccccc2C)C2CC2)c1C#N ZINC000534487138 1034593067 /nfs/dbraw/zinc/59/30/67/1034593067.db2.gz NTQGTTWNQORNQA-UHFFFAOYSA-N 1 1 334.419 3.818 20 30 EHEDMO N#CCCCOc1cccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000597248290 1034640488 /nfs/dbraw/zinc/64/04/88/1034640488.db2.gz OMSYYHMJODNQDS-OYRHEFFESA-N 1 1 340.467 3.762 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CC2(C#N)CCCCC2)C1 ZINC000597309328 1034672270 /nfs/dbraw/zinc/67/22/70/1034672270.db2.gz HFTFZGLVNULIPP-IBGZPJMESA-N 1 1 339.483 3.583 20 30 EHEDMO CC(C)c1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000534666599 1034788053 /nfs/dbraw/zinc/78/80/53/1034788053.db2.gz NOGARVVALKJZQF-PZJWPPBQSA-N 1 1 339.483 3.755 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccccc1OCC ZINC000065959789 1035029402 /nfs/dbraw/zinc/02/94/02/1035029402.db2.gz GPLNHOVIWWKOLZ-UHFFFAOYSA-N 1 1 338.451 3.755 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccccc1OCC ZINC000065959789 1035029410 /nfs/dbraw/zinc/02/94/10/1035029410.db2.gz GPLNHOVIWWKOLZ-UHFFFAOYSA-N 1 1 338.451 3.755 20 30 EHEDMO CCc1c[nH]c2nc[nH+]c(NCc3cccc(O[C@H](C#N)CC)c3)c12 ZINC000892527015 1035425427 /nfs/dbraw/zinc/42/54/27/1035425427.db2.gz FVOMPNRGGWONQW-HNNXBMFYSA-N 1 1 335.411 3.765 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@@H+](C)Cc2cc(Cl)cn2C)c1O ZINC000164486364 1035647147 /nfs/dbraw/zinc/64/71/47/1035647147.db2.gz MLSGRJXNKPSHCI-UHFFFAOYSA-N 1 1 334.847 3.753 20 30 EHEDMO CC(C)[N@@H+](C)CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000173534222 1035667179 /nfs/dbraw/zinc/66/71/79/1035667179.db2.gz WMZXCVRTFJIAQT-UHFFFAOYSA-N 1 1 341.386 3.768 20 30 EHEDMO C=CCN1CC[C@@H](Nc2ccccc2C[N@H+](C)C2CCCCC2)C1=O ZINC000540809965 1035702221 /nfs/dbraw/zinc/70/22/21/1035702221.db2.gz BRNWUSUHTZLVNQ-HXUWFJFHSA-N 1 1 341.499 3.650 20 30 EHEDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000457104793 1035745778 /nfs/dbraw/zinc/74/57/78/1035745778.db2.gz BVDDYJJXQBLACJ-GOSISDBHSA-N 1 1 347.462 3.780 20 30 EHEDMO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(Br)cc1C#N ZINC000588204751 1035821717 /nfs/dbraw/zinc/82/17/17/1035821717.db2.gz GZOXJWKPVHLFCD-LBPRGKRZSA-N 1 1 330.229 3.875 20 30 EHEDMO CC(C)(C)c1ccc(C#N)c(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000613428425 1035853394 /nfs/dbraw/zinc/85/33/94/1035853394.db2.gz ZWNJJNPCMNQSRE-SJLPKXTDSA-N 1 1 338.499 3.704 20 30 EHEDMO Cc1ccnc(OC2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)c1 ZINC000541122306 1036018019 /nfs/dbraw/zinc/01/80/19/1036018019.db2.gz NPLGSJTVLXKPER-UHFFFAOYSA-N 1 1 346.434 3.558 20 30 EHEDMO C#C[C@@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(C)(C)C ZINC000491309181 1036044171 /nfs/dbraw/zinc/04/41/71/1036044171.db2.gz XLTBNJLNIKYARS-FUHWJXTLSA-N 1 1 341.499 3.657 20 30 EHEDMO COCC[N@@H+](C/C=C/c1ccc(F)c(F)c1)Cc1ccc(C#N)cc1 ZINC000572323420 1036064626 /nfs/dbraw/zinc/06/46/26/1036064626.db2.gz HQPQYWRQVQPNCC-NSCUHMNNSA-N 1 1 342.389 3.998 20 30 EHEDMO CC(C)(C#N)CCC[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000174822836 1036102897 /nfs/dbraw/zinc/10/28/97/1036102897.db2.gz IBKGJZAUDCFOPP-UHFFFAOYSA-N 1 1 341.286 3.840 20 30 EHEDMO CN(C[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1)C(=O)OC(C)(C)C ZINC000174838757 1036133794 /nfs/dbraw/zinc/13/37/94/1036133794.db2.gz WHSUPTMPABDSNX-MRXNPFEDSA-N 1 1 337.508 3.895 20 30 EHEDMO CC[N@H+](Cc1cccc(C(=O)OC)c1C#N)[C@H](C)c1ccc(C#N)cc1 ZINC000535222049 1036209120 /nfs/dbraw/zinc/20/91/20/1036209120.db2.gz VWPLHAIEXOVUAV-OAHLLOKOSA-N 1 1 347.418 3.800 20 30 EHEDMO CC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)[C@H](C)c1ccc(C#N)cc1 ZINC000535222049 1036209136 /nfs/dbraw/zinc/20/91/36/1036209136.db2.gz VWPLHAIEXOVUAV-OAHLLOKOSA-N 1 1 347.418 3.800 20 30 EHEDMO CO[C@@H](C)C[N@@H+](Cc1cc(C#N)ccc1Br)C(C)C ZINC000492764246 1036266666 /nfs/dbraw/zinc/26/66/66/1036266666.db2.gz BPDMRFSEZYCHKL-LBPRGKRZSA-N 1 1 325.250 3.566 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000589310738 1036353730 /nfs/dbraw/zinc/35/37/30/1036353730.db2.gz UJIMGXJSBGDHBL-QGZVFWFLSA-N 1 1 328.847 3.785 20 30 EHEDMO Cc1csc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1C#N ZINC000572778200 1036493564 /nfs/dbraw/zinc/49/35/64/1036493564.db2.gz AVKHVGZNUHQQCQ-ZIAGYGMSSA-N 1 1 346.500 3.703 20 30 EHEDMO N#C[C@H](c1ccc(F)cc1)N1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000589742442 1036601786 /nfs/dbraw/zinc/60/17/86/1036601786.db2.gz YDXQMJWASBIIJQ-NJDAHSKKSA-N 1 1 335.426 3.564 20 30 EHEDMO C=C(C)C[N@H+](CC(=O)Nc1cc(F)ccc1F)Cc1ccccc1 ZINC000470918462 1036731288 /nfs/dbraw/zinc/73/12/88/1036731288.db2.gz JJLQPYJVGKLIQY-UHFFFAOYSA-N 1 1 330.378 3.982 20 30 EHEDMO C=C(C)C[N@@H+](CC(=O)Nc1cc(F)ccc1F)Cc1ccccc1 ZINC000470918462 1036731306 /nfs/dbraw/zinc/73/13/06/1036731306.db2.gz JJLQPYJVGKLIQY-UHFFFAOYSA-N 1 1 330.378 3.982 20 30 EHEDMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1ccccc1C#N ZINC000180424413 1036814152 /nfs/dbraw/zinc/81/41/52/1036814152.db2.gz WQYYMZWMDTZCJU-NSHDSACASA-N 1 1 336.361 3.785 20 30 EHEDMO N#Cc1cccc(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)c1F ZINC000541952087 1036889446 /nfs/dbraw/zinc/88/94/46/1036889446.db2.gz ORQBFFHZGMPTNF-OAHLLOKOSA-N 1 1 338.304 3.539 20 30 EHEDMO CCC[C@]1(C)CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000464846456 1036895375 /nfs/dbraw/zinc/89/53/75/1036895375.db2.gz JPDANZPYZSSWNA-UYAOXDASSA-N 1 1 325.456 3.566 20 30 EHEDMO CC(C)(C#N)CCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000539568780 1036930279 /nfs/dbraw/zinc/93/02/79/1036930279.db2.gz FKAONWTYDAPSSH-WOJBJXKFSA-N 1 1 325.500 3.913 20 30 EHEDMO CC[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc2c(c1)OCCO2 ZINC000180643203 1037043517 /nfs/dbraw/zinc/04/35/17/1037043517.db2.gz KQVYDIMMTXDBLT-QGZVFWFLSA-N 1 1 326.371 3.709 20 30 EHEDMO Cc1ccc(C#N)cc1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248940418 1037223103 /nfs/dbraw/zinc/22/31/03/1037223103.db2.gz YSUWJIURSAVGLB-OXQOHEQNSA-N 1 1 348.450 3.509 20 30 EHEDMO COc1cccc([C@@H]2[C@H](Nc3nccc(C)c3C#N)CC[N@H+]2C2CC2)c1 ZINC000542281039 1037238583 /nfs/dbraw/zinc/23/85/83/1037238583.db2.gz SKHZLLROFKSFAR-WOJBJXKFSA-N 1 1 348.450 3.660 20 30 EHEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000532461516 1037361045 /nfs/dbraw/zinc/36/10/45/1037361045.db2.gz VDDDPROIWCUIJL-UHFFFAOYSA-N 1 1 338.455 3.586 20 30 EHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000532461516 1037361063 /nfs/dbraw/zinc/36/10/63/1037361063.db2.gz VDDDPROIWCUIJL-UHFFFAOYSA-N 1 1 338.455 3.586 20 30 EHEDMO COCC[N@@H+](C)CC[C@@H](Nc1ccc(F)cc1C#N)c1ccccc1 ZINC000462825150 1037446232 /nfs/dbraw/zinc/44/62/32/1037446232.db2.gz HWTWAYUSIZTRLR-HXUWFJFHSA-N 1 1 341.430 3.819 20 30 EHEDMO C=CCN(CCc1ccccc1)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000303502741 1037484597 /nfs/dbraw/zinc/48/45/97/1037484597.db2.gz AQKLWWABSDPMGM-FQEVSTJZSA-N 1 1 343.515 3.691 20 30 EHEDMO Cc1cccc(C[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000532477378 1037507863 /nfs/dbraw/zinc/50/78/63/1037507863.db2.gz LMICMBCKQINNMS-UHFFFAOYSA-N 1 1 327.815 3.591 20 30 EHEDMO Cc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000532477378 1037507879 /nfs/dbraw/zinc/50/78/79/1037507879.db2.gz LMICMBCKQINNMS-UHFFFAOYSA-N 1 1 327.815 3.591 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)c2ccc(OC(F)F)cc2)n1 ZINC000491546722 1037547986 /nfs/dbraw/zinc/54/79/86/1037547986.db2.gz WZWYQFKXPGCKID-AWEZNQCLSA-N 1 1 333.382 3.701 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)[C@@H](C)c2ccc(OC(F)F)cc2)n1 ZINC000491546722 1037548002 /nfs/dbraw/zinc/54/80/02/1037548002.db2.gz WZWYQFKXPGCKID-AWEZNQCLSA-N 1 1 333.382 3.701 20 30 EHEDMO C[C@@H]1C[C@H](N(C)C(=O)C#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000176374560 1037558282 /nfs/dbraw/zinc/55/82/82/1037558282.db2.gz GVEUDWUCQRTWFC-DENIHFKCSA-N 1 1 346.474 3.550 20 30 EHEDMO CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000030269554 1037681084 /nfs/dbraw/zinc/68/10/84/1037681084.db2.gz ZTUASKMYSAXBBR-CYBMUJFWSA-N 1 1 333.501 3.948 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C)(COC)CC1 ZINC000540196900 1037689791 /nfs/dbraw/zinc/68/97/91/1037689791.db2.gz LKLQQELMOZKYFP-UHFFFAOYSA-N 1 1 348.512 3.652 20 30 EHEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000428804053 1037705308 /nfs/dbraw/zinc/70/53/08/1037705308.db2.gz SNYVOKUJFWOLDQ-INIZCTEOSA-N 1 1 347.340 3.625 20 30 EHEDMO C[N@@H+](Cc1cccc(C#N)c1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000494053325 1037798868 /nfs/dbraw/zinc/79/88/68/1037798868.db2.gz VVVYWCKTDVKLDB-UHFFFAOYSA-N 1 1 347.434 3.529 20 30 EHEDMO O[C@@H](C[C@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1)c1ccco1 ZINC000151871737 1037811757 /nfs/dbraw/zinc/81/17/57/1037811757.db2.gz NZQMFGNFSQZEKW-MSOLQXFVSA-N 1 1 329.827 3.873 20 30 EHEDMO N#CC[C@]1(O)CC[N@@H+](CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000592152728 1037850190 /nfs/dbraw/zinc/85/01/90/1037850190.db2.gz CBPQLTDJDRMMMG-INIZCTEOSA-N 1 1 327.255 3.667 20 30 EHEDMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@@H](C)Cc1ccc(OC)cc1 ZINC000128409797 1037875567 /nfs/dbraw/zinc/87/55/67/1037875567.db2.gz DFIMKJHFQFPUGK-INIZCTEOSA-N 1 1 348.450 3.668 20 30 EHEDMO C[C@@H](c1ccccc1)[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1 ZINC000463231697 1037910321 /nfs/dbraw/zinc/91/03/21/1037910321.db2.gz OFNWJJKFEVQHMT-SFHVURJKSA-N 1 1 347.462 3.812 20 30 EHEDMO C[C@@H](c1ccccc1)[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1 ZINC000463231697 1037910336 /nfs/dbraw/zinc/91/03/36/1037910336.db2.gz OFNWJJKFEVQHMT-SFHVURJKSA-N 1 1 347.462 3.812 20 30 EHEDMO COc1cc(C[N@@H+](Cc2ccccc2)C2CCN(C)CC2)ccc1C#N ZINC000290577558 1037924573 /nfs/dbraw/zinc/92/45/73/1037924573.db2.gz UHWBVGGHGCXXIW-UHFFFAOYSA-N 1 1 349.478 3.663 20 30 EHEDMO COc1cc(CN(Cc2ccccc2)C2CC[NH+](C)CC2)ccc1C#N ZINC000290577558 1037924587 /nfs/dbraw/zinc/92/45/87/1037924587.db2.gz UHWBVGGHGCXXIW-UHFFFAOYSA-N 1 1 349.478 3.663 20 30 EHEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc3ccccc3)C1)CC2 ZINC000574005047 1037968544 /nfs/dbraw/zinc/96/85/44/1037968544.db2.gz BFPNMRODGNSMFI-NZQKXSOJSA-N 1 1 345.490 3.700 20 30 EHEDMO N#Cc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@H+](CCc3ccccc3)C1)CC2 ZINC000574005047 1037968567 /nfs/dbraw/zinc/96/85/67/1037968567.db2.gz BFPNMRODGNSMFI-NZQKXSOJSA-N 1 1 345.490 3.700 20 30 EHEDMO N#Cc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@@H+](CCc3ccccc3)C1)CC2 ZINC000574005047 1037968580 /nfs/dbraw/zinc/96/85/80/1037968580.db2.gz BFPNMRODGNSMFI-NZQKXSOJSA-N 1 1 345.490 3.700 20 30 EHEDMO CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000538728892 1038497064 /nfs/dbraw/zinc/49/70/64/1038497064.db2.gz FDGDFCWXSXWHHL-UTKZUKDTSA-N 1 1 336.483 3.817 20 30 EHEDMO CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000538728892 1038497070 /nfs/dbraw/zinc/49/70/70/1038497070.db2.gz FDGDFCWXSXWHHL-UTKZUKDTSA-N 1 1 336.483 3.817 20 30 EHEDMO CCCOc1ccc(C[N@@H+](CCOC)Cc2ccc(C#N)cc2)cc1 ZINC000538739681 1038502967 /nfs/dbraw/zinc/50/29/67/1038502967.db2.gz PDWDZDVJBXZNAF-UHFFFAOYSA-N 1 1 338.451 3.996 20 30 EHEDMO C=CC[N@H+](CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000538955655 1038613796 /nfs/dbraw/zinc/61/37/96/1038613796.db2.gz UJTWKJPPNUPEGB-OAQYLSRUSA-N 1 1 334.463 3.737 20 30 EHEDMO C=CC[N@@H+](CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000538955655 1038613798 /nfs/dbraw/zinc/61/37/98/1038613798.db2.gz UJTWKJPPNUPEGB-OAQYLSRUSA-N 1 1 334.463 3.737 20 30 EHEDMO C=CCN(C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000538959848 1038614655 /nfs/dbraw/zinc/61/46/55/1038614655.db2.gz UVEUTJGIPIYSMZ-KRWDZBQOSA-N 1 1 341.499 3.921 20 30 EHEDMO C=CCCC[C@H](C)[NH+]1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000539248736 1038741665 /nfs/dbraw/zinc/74/16/65/1038741665.db2.gz ASFRFRVNYJJJJB-AWEZNQCLSA-N 1 1 332.469 3.997 20 30 EHEDMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)Cc2ccccc21 ZINC000488138408 1038901888 /nfs/dbraw/zinc/90/18/88/1038901888.db2.gz XEMIYEYYFAXYII-FQEVSTJZSA-N 1 1 334.419 3.529 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@H]2c2ccnn2C)c1O ZINC000905739209 1039073099 /nfs/dbraw/zinc/07/30/99/1039073099.db2.gz GZKHFGWJICVANV-IBGZPJMESA-N 1 1 341.455 3.590 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(CNCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000237506183 1039110900 /nfs/dbraw/zinc/11/09/00/1039110900.db2.gz PBMSFZKAFBJZER-KSZLIROESA-N 1 1 343.515 3.824 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000237506183 1039110908 /nfs/dbraw/zinc/11/09/08/1039110908.db2.gz PBMSFZKAFBJZER-KSZLIROESA-N 1 1 343.515 3.824 20 30 EHEDMO C=CCCCN(C)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000478013972 1039120618 /nfs/dbraw/zinc/12/06/18/1039120618.db2.gz FSSFLMUKJJDLNP-LJQANCHMSA-N 1 1 329.488 3.505 20 30 EHEDMO C=CCCCN(C)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000478013971 1039120840 /nfs/dbraw/zinc/12/08/40/1039120840.db2.gz FSSFLMUKJJDLNP-IBGZPJMESA-N 1 1 329.488 3.505 20 30 EHEDMO C=CCCCCC[N@@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000488447621 1039195075 /nfs/dbraw/zinc/19/50/75/1039195075.db2.gz WYKCJKGOJDACKH-OAHLLOKOSA-N 1 1 334.426 3.856 20 30 EHEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)CCOc1cccc(C#N)c1)CCC2 ZINC000478064805 1039196702 /nfs/dbraw/zinc/19/67/02/1039196702.db2.gz VDDNMTXGCRPQQU-QGZVFWFLSA-N 1 1 341.480 3.965 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000544117059 1039237656 /nfs/dbraw/zinc/23/76/56/1039237656.db2.gz IAKVAHLLWRILCX-CHWSQXEVSA-N 1 1 345.512 3.803 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000544117059 1039237675 /nfs/dbraw/zinc/23/76/75/1039237675.db2.gz IAKVAHLLWRILCX-CHWSQXEVSA-N 1 1 345.512 3.803 20 30 EHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000429824237 1039271192 /nfs/dbraw/zinc/27/11/92/1039271192.db2.gz DIGGYTVXNWTROF-ZDUSSCGKSA-N 1 1 341.480 3.686 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000552513072 1039332130 /nfs/dbraw/zinc/33/21/30/1039332130.db2.gz FBPNXPIGZPOOCQ-QGZVFWFLSA-N 1 1 337.398 3.515 20 30 EHEDMO Cc1ccc2c(C)cc(N3CC[C@H](Oc4ccc(C#N)cn4)C3)[nH+]c2c1 ZINC000488972339 1039517545 /nfs/dbraw/zinc/51/75/45/1039517545.db2.gz DXTVQSIQADVHCX-KRWDZBQOSA-N 1 1 344.418 3.776 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@]2(C#N)CC3CCC2CC3)C1 ZINC000906450889 1039572484 /nfs/dbraw/zinc/57/24/84/1039572484.db2.gz ILRXRTPKKQVTAD-UVPJIIGISA-N 1 1 343.515 3.570 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000249406105 1039634329 /nfs/dbraw/zinc/63/43/29/1039634329.db2.gz WPMQGUQBCHRSBS-WBVHZDCISA-N 1 1 343.471 3.808 20 30 EHEDMO C=C(C)Cn1c(CC)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000549684193 1039669860 /nfs/dbraw/zinc/66/98/60/1039669860.db2.gz LHBINROFKLCEKA-ROUUACIJSA-N 1 1 345.535 3.507 20 30 EHEDMO C=C(C)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cnn(C(C)C)c1 ZINC000512541718 1039689430 /nfs/dbraw/zinc/68/94/30/1039689430.db2.gz HRKCZMIZSMBVPY-UHFFFAOYSA-N 1 1 342.443 3.993 20 30 EHEDMO COc1c(F)cccc1C[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001143533429 1039690346 /nfs/dbraw/zinc/69/03/46/1039690346.db2.gz AFNQZSYZABAWON-GOSISDBHSA-N 1 1 340.398 3.749 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@@H+](CCSc2ccccc2)CC1 ZINC000554759907 1039692146 /nfs/dbraw/zinc/69/21/46/1039692146.db2.gz GTUIUJKKGQTUTH-UHFFFAOYSA-N 1 1 337.492 3.863 20 30 EHEDMO COc1ccc(NC(=O)[C@H]([NH2+]CC2(CC#N)CC2)c2ccccc2)cc1 ZINC000429797720 1039700813 /nfs/dbraw/zinc/70/08/13/1039700813.db2.gz CTDJLJQRXXJECD-LJQANCHMSA-N 1 1 349.434 3.658 20 30 EHEDMO C=CCC[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)c1ccccc1 ZINC000893767450 1039703616 /nfs/dbraw/zinc/70/36/16/1039703616.db2.gz IAMSPTJHJXXGLZ-OTWHNJEPSA-N 1 1 327.472 3.572 20 30 EHEDMO C=C1CCC(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000893839168 1039743524 /nfs/dbraw/zinc/74/35/24/1039743524.db2.gz KWNFBVJQPRJAQW-FQEVSTJZSA-N 1 1 339.483 3.656 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@@H+](CC)C(c1ccccc1)c1ccccc1 ZINC000553085265 1039751668 /nfs/dbraw/zinc/75/16/68/1039751668.db2.gz DKGTVGJFCOLEOU-UHFFFAOYSA-N 1 1 349.478 3.860 20 30 EHEDMO C#CCOc1ccccc1C[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000129088734 1039772562 /nfs/dbraw/zinc/77/25/62/1039772562.db2.gz QWCUFMDCSQGXPQ-UHFFFAOYSA-N 1 1 349.352 3.930 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000028905314 1039876539 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EHEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CC2(C)C)ccc1Cl ZINC000489494583 1040036379 /nfs/dbraw/zinc/03/63/79/1040036379.db2.gz HEKUGGDCFPEXFK-MRXNPFEDSA-N 1 1 333.863 3.625 20 30 EHEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CC2(C)C)ccc1Cl ZINC000489494583 1040036400 /nfs/dbraw/zinc/03/64/00/1040036400.db2.gz HEKUGGDCFPEXFK-MRXNPFEDSA-N 1 1 333.863 3.625 20 30 EHEDMO CCC[N@@H+](C)[C@@H](CNCc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000512580016 1040189992 /nfs/dbraw/zinc/18/99/92/1040189992.db2.gz YOUCHWPYMNISED-SFHVURJKSA-N 1 1 331.847 3.977 20 30 EHEDMO CCCN(C)[C@@H](C[NH2+]Cc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000512580016 1040189998 /nfs/dbraw/zinc/18/99/98/1040189998.db2.gz YOUCHWPYMNISED-SFHVURJKSA-N 1 1 331.847 3.977 20 30 EHEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000486514657 1040204288 /nfs/dbraw/zinc/20/42/88/1040204288.db2.gz FSRZLTYYLLOTEC-NSISKUIASA-N 1 1 342.483 3.838 20 30 EHEDMO CC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@@H](C)C(C)C ZINC000065298793 1040264472 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3.795 20 30 EHEDMO CCOC(=O)C[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CCCC1 ZINC000486801700 1040469673 /nfs/dbraw/zinc/46/96/73/1040469673.db2.gz LPBNWEDNRGAQAE-UHFFFAOYSA-N 1 1 328.456 3.795 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1cccc(F)c1 ZINC000014929471 1040473099 /nfs/dbraw/zinc/47/30/99/1040473099.db2.gz NDCSDLRJZUZLED-LBPRGKRZSA-N 1 1 345.805 3.810 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1cccc(F)c1 ZINC000014929471 1040473104 /nfs/dbraw/zinc/47/31/04/1040473104.db2.gz NDCSDLRJZUZLED-LBPRGKRZSA-N 1 1 345.805 3.810 20 30 EHEDMO N#CCCC[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccccc1 ZINC000433020921 1040476369 /nfs/dbraw/zinc/47/63/69/1040476369.db2.gz PBLHJVAEGXCKSI-IBGZPJMESA-N 1 1 331.423 3.792 20 30 EHEDMO C=C(CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000479713468 1040536196 /nfs/dbraw/zinc/53/61/96/1040536196.db2.gz SSKQXUTXROVKKR-GOSISDBHSA-N 1 1 329.488 3.654 20 30 EHEDMO C=C(CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000479700809 1040543550 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N#CCc1cccc2c1CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000600213486 1040831372 /nfs/dbraw/zinc/83/13/72/1040831372.db2.gz HFDUIIOBOFUEEK-YWEYNIOJSA-N 1 1 333.391 3.732 20 30 EHEDMO N#CCc1cccc2c1CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000600213486 1040831388 /nfs/dbraw/zinc/83/13/88/1040831388.db2.gz HFDUIIOBOFUEEK-YWEYNIOJSA-N 1 1 333.391 3.732 20 30 EHEDMO CO/N=C/c1cc(NCCC[N@H+]2CCCC[C@@H]2C)cc(F)c1F ZINC001167755065 1040883501 /nfs/dbraw/zinc/88/35/01/1040883501.db2.gz ZNNLGWZHGNDPJI-XMOVILSBSA-N 1 1 325.403 3.622 20 30 EHEDMO C=C(C)[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)c(F)c1 ZINC000364369616 1041028734 /nfs/dbraw/zinc/02/87/34/1041028734.db2.gz NQSWZGWTIVOKSP-VKJFTORMSA-N 1 1 349.425 3.508 20 30 EHEDMO C[C@@H]1CCCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000481581710 1041112233 /nfs/dbraw/zinc/11/22/33/1041112233.db2.gz XPAGOJCHKPGKEG-CQSZACIVSA-N 1 1 345.512 3.949 20 30 EHEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1(C#N)CCCC1 ZINC000044552810 1041134646 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C=CC[N@@H+](Cc1nc2cc(Br)ccc2o1)[C@@H](C)COC ZINC000661238943 1042025837 /nfs/dbraw/zinc/02/58/37/1042025837.db2.gz AFSJEJMNKXWJSQ-NSHDSACASA-N 1 1 339.233 3.613 20 30 EHEDMO C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661506142 1042159124 /nfs/dbraw/zinc/15/91/24/1042159124.db2.gz DGVFOCMJZFUDFQ-GOSISDBHSA-N 1 1 329.488 3.647 20 30 EHEDMO CC1(C)C[C@H](c2ccccc2)[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599439764 1042540775 /nfs/dbraw/zinc/54/07/75/1042540775.db2.gz DZULDMWFCOKSKU-RBUKOAKNSA-N 1 1 342.483 3.531 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000093872280 1042565598 /nfs/dbraw/zinc/56/55/98/1042565598.db2.gz KCKTVONQRQBMEW-SFTDATJTSA-N 1 1 346.478 3.954 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000093872280 1042565602 /nfs/dbraw/zinc/56/56/02/1042565602.db2.gz KCKTVONQRQBMEW-SFTDATJTSA-N 1 1 346.478 3.954 20 30 EHEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccccc3OCC#N)c2C1 ZINC000162201813 1042714199 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C=CCOc1ccccc1C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000344851467 1044531152 /nfs/dbraw/zinc/53/11/52/1044531152.db2.gz HPVBJIOOFOOMPJ-MRXNPFEDSA-N 1 1 325.412 3.501 20 30 EHEDMO CC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1nccs1 ZINC000174116586 1126847906 /nfs/dbraw/zinc/84/79/06/1126847906.db2.gz WSJGPTBVHXQQEX-HOCLYGCPSA-N 1 1 342.468 3.519 20 30 EHEDMO C=CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179484145 1127067319 /nfs/dbraw/zinc/06/73/19/1127067319.db2.gz DXMRNMNJZWBBEI-SFTDATJTSA-N 1 1 349.478 3.830 20 30 EHEDMO C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001299259175 1127164437 /nfs/dbraw/zinc/16/44/37/1127164437.db2.gz KZKMUYUZEBQCPV-FGZHOGPDSA-N 1 1 348.490 3.955 20 30 EHEDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cccc(C#N)c3)cc2)C1 ZINC000073303465 1127237153 /nfs/dbraw/zinc/23/71/53/1127237153.db2.gz IIBXMWKRFGHYNV-INIZCTEOSA-N 1 1 349.434 3.531 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ncnc2ccsc21 ZINC000764836189 1127540545 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3.974 20 30 EHEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000303690355 1128688297 /nfs/dbraw/zinc/68/82/97/1128688297.db2.gz VDBHTHMEXXMVDV-SFHVURJKSA-N 1 1 332.513 3.510 20 30 EHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000303690355 1128688300 /nfs/dbraw/zinc/68/83/00/1128688300.db2.gz VDBHTHMEXXMVDV-SFHVURJKSA-N 1 1 332.513 3.510 20 30 EHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1c(C)cc(OC)nc1C ZINC000542857253 1128696474 /nfs/dbraw/zinc/69/64/74/1128696474.db2.gz RSMKXBYJHDQHGX-UHFFFAOYSA-N 1 1 341.411 3.803 20 30 EHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1c(C)cc(OC)nc1C ZINC000542857253 1128696476 /nfs/dbraw/zinc/69/64/76/1128696476.db2.gz RSMKXBYJHDQHGX-UHFFFAOYSA-N 1 1 341.411 3.803 20 30 EHEDMO COc1cc(CN(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000388078975 1128703157 /nfs/dbraw/zinc/70/31/57/1128703157.db2.gz AZXSMEWLLRMPEU-OAQYLSRUSA-N 1 1 349.478 3.663 20 30 EHEDMO COc1cc(C[N@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)ccc1C#N ZINC000388078975 1128703158 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C=C[C@H]1CCCCN1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000494232160 1120510866 /nfs/dbraw/zinc/51/08/66/1120510866.db2.gz YFAKCJKTCYMIFF-IBGZPJMESA-N 1 1 329.488 3.777 20 30 EHEDMO C/C(=C\c1ccccc1)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000494234527 1120511382 /nfs/dbraw/zinc/51/13/82/1120511382.db2.gz PVAJONCXILREJN-MAUBAPBLSA-N 1 1 333.435 3.921 20 30 EHEDMO C/C(=C\c1ccccc1)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000494234527 1120511384 /nfs/dbraw/zinc/51/13/84/1120511384.db2.gz PVAJONCXILREJN-MAUBAPBLSA-N 1 1 333.435 3.921 20 30 EHEDMO C/C(=C\c1ccccc1)C[N@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000494273746 1120522398 /nfs/dbraw/zinc/52/23/98/1120522398.db2.gz KNHNOIRECYNIQH-PVGBUVFQSA-N 1 1 345.446 3.699 20 30 EHEDMO C[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000008490121 1128924436 /nfs/dbraw/zinc/92/44/36/1128924436.db2.gz UVHOUXIPYJUGON-ZDUSSCGKSA-N 1 1 331.485 3.559 20 30 EHEDMO C[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000008490121 1128924440 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CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCC[N@H+]2CCCCC#N)C1 ZINC000495597778 1121298075 /nfs/dbraw/zinc/29/80/75/1121298075.db2.gz OKNZIGXQSWMTGH-IAGOWNOFSA-N 1 1 335.492 3.792 20 30 EHEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000495763925 1121406898 /nfs/dbraw/zinc/40/68/98/1121406898.db2.gz OHEJARFDGKWMKA-CJNGLKHVSA-N 1 1 347.434 3.575 20 30 EHEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000495763925 1121406901 /nfs/dbraw/zinc/40/69/01/1121406901.db2.gz OHEJARFDGKWMKA-CJNGLKHVSA-N 1 1 347.434 3.575 20 30 EHEDMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000495855256 1121546487 /nfs/dbraw/zinc/54/64/87/1121546487.db2.gz KBKQYONQESSKGW-ZDUSSCGKSA-N 1 1 341.436 3.769 20 30 EHEDMO CC[N@@H+](C[C@@H](O)COc1ccccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000193726923 1121589683 /nfs/dbraw/zinc/58/96/83/1121589683.db2.gz RQYPFZYFSNLZPP-MAUKXSAKSA-N 1 1 342.414 3.520 20 30 EHEDMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC#Cc1ccccc1 ZINC000496004055 1121606073 /nfs/dbraw/zinc/60/60/73/1121606073.db2.gz DYKVNMKKLBEXFC-QGZVFWFLSA-N 1 1 334.419 3.688 20 30 EHEDMO CC[N@@H+](Cc1cnc2c(c1)c(C)nn2C)[C@H](C)c1ccc(C#N)cc1 ZINC000193757404 1121620722 /nfs/dbraw/zinc/62/07/22/1121620722.db2.gz HLWFZZHCZUKNSY-OAHLLOKOSA-N 1 1 333.439 3.732 20 30 EHEDMO COc1ccc([C@@H](C)[N@@H+](C)CCOc2ccc(C#N)cc2OC)cc1 ZINC000077250189 1129003223 /nfs/dbraw/zinc/00/32/23/1129003223.db2.gz MHAHWTXZNGNQIQ-OAHLLOKOSA-N 1 1 340.423 3.647 20 30 EHEDMO CCC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCc2ccccc2C1 ZINC000763236775 1121916797 /nfs/dbraw/zinc/91/67/97/1121916797.db2.gz UBPLKHLYHDLVQD-FGZHOGPDSA-N 1 1 334.463 3.861 20 30 EHEDMO Cc1nc(NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)ccc1C#N ZINC000488058849 1121978434 /nfs/dbraw/zinc/97/84/34/1121978434.db2.gz RNMAJJLYPKOBJR-MRXNPFEDSA-N 1 1 334.467 3.670 20 30 EHEDMO CC[N@@H+](CC1(C#N)CCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496624989 1122137477 /nfs/dbraw/zinc/13/74/77/1122137477.db2.gz QCJILZINSHKVNM-INIZCTEOSA-N 1 1 335.492 3.792 20 30 EHEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311848206 1129047404 /nfs/dbraw/zinc/04/74/04/1129047404.db2.gz OVUOKQQRVZJBDI-FQEVSTJZSA-N 1 1 347.462 3.590 20 30 EHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000125928476 1122359366 /nfs/dbraw/zinc/35/93/66/1122359366.db2.gz QHPMQZRAMNJPPH-LBPRGKRZSA-N 1 1 325.250 3.674 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCC[N@@H+](CCC(C)(C)C#N)C2)C1 ZINC000497283574 1122433859 /nfs/dbraw/zinc/43/38/59/1122433859.db2.gz DORPCIVAFFQTOH-IAGOWNOFSA-N 1 1 349.519 3.895 20 30 EHEDMO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)C(C)C ZINC000917167896 1122543674 /nfs/dbraw/zinc/54/36/74/1122543674.db2.gz GZAKGDWUGCDFAA-CYBMUJFWSA-N 1 1 344.377 3.659 20 30 EHEDMO C=CC[N@@H+](CC(=O)NCCc1cccc(Cl)c1Cl)C(C)C ZINC000917167914 1122543706 /nfs/dbraw/zinc/54/37/06/1122543706.db2.gz HSZFMHJBHWLPTN-UHFFFAOYSA-N 1 1 329.271 3.549 20 30 EHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000154374004 1122586492 /nfs/dbraw/zinc/58/64/92/1122586492.db2.gz GHDZAGHSNQRQHG-UHFFFAOYSA-N 1 1 349.478 3.805 20 30 EHEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)C2CCCCCC2)c(OC)c1 ZINC000497590296 1122600031 /nfs/dbraw/zinc/60/00/31/1122600031.db2.gz DKVPRUUPWHWZGJ-LJQANCHMSA-N 1 1 347.499 3.818 20 30 EHEDMO CC[N@@H+](CC(=O)NC1CCCCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593893 1122600620 /nfs/dbraw/zinc/60/06/20/1122600620.db2.gz LWZGBGQHUFHQEV-INIZCTEOSA-N 1 1 327.472 3.780 20 30 EHEDMO CC[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497599338 1122605090 /nfs/dbraw/zinc/60/50/90/1122605090.db2.gz APHBGWDESGUTND-IRXDYDNUSA-N 1 1 329.488 3.834 20 30 EHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H](O)c1cc(OC)ccc1OC ZINC000918025843 1122732571 /nfs/dbraw/zinc/73/25/71/1122732571.db2.gz JNGRTOUDDWHAOA-LJQANCHMSA-N 1 1 345.414 3.565 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)c1cc(OC)ccc1OC ZINC000918025843 1122732575 /nfs/dbraw/zinc/73/25/75/1122732575.db2.gz JNGRTOUDDWHAOA-LJQANCHMSA-N 1 1 345.414 3.565 20 30 EHEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1n1ccnc1 ZINC000129623333 1122811952 /nfs/dbraw/zinc/81/19/52/1122811952.db2.gz NBWVSMAZZMABMX-QAPCUYQASA-N 1 1 347.384 3.837 20 30 EHEDMO C[N@H+]1CCC[C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 ZINC000918548568 1122844616 /nfs/dbraw/zinc/84/46/16/1122844616.db2.gz XKCOTLZJFNTIOZ-WOJBJXKFSA-N 1 1 348.450 3.558 20 30 EHEDMO Cc1ccc2c(c1)C[N@H+](Cc1cnc3ccc(C#N)cn13)C(C)(C)C2 ZINC000556946602 1123227845 /nfs/dbraw/zinc/22/78/45/1123227845.db2.gz JLIZENIOKUORJM-UHFFFAOYSA-N 1 1 330.435 3.851 20 30 EHEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000076552751 1123501435 /nfs/dbraw/zinc/50/14/35/1123501435.db2.gz JLNLCUIHNGHQIH-RYUDHWBXSA-N 1 1 342.270 3.652 20 30 EHEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000134626420 1123538038 /nfs/dbraw/zinc/53/80/38/1123538038.db2.gz GQQJPPDHDMVZLU-CRAIPNDOSA-N 1 1 346.446 3.555 20 30 EHEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000134626420 1123538042 /nfs/dbraw/zinc/53/80/42/1123538042.db2.gz GQQJPPDHDMVZLU-CRAIPNDOSA-N 1 1 346.446 3.555 20 30 EHEDMO C[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000609492231 1123591630 /nfs/dbraw/zinc/59/16/30/1123591630.db2.gz IQSXGSZXZUBXJZ-FQEVSTJZSA-N 1 1 349.434 3.560 20 30 EHEDMO C[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000609492231 1123591633 /nfs/dbraw/zinc/59/16/33/1123591633.db2.gz IQSXGSZXZUBXJZ-FQEVSTJZSA-N 1 1 349.434 3.560 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](c2ccco2)C1 ZINC000609540085 1123607238 /nfs/dbraw/zinc/60/72/38/1123607238.db2.gz PNRSPPBYMRGBTC-JSGCOSHPSA-N 1 1 343.814 3.621 20 30 EHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)CCOc1ccc(Cl)cc1 ZINC000282145820 1123632092 /nfs/dbraw/zinc/63/20/92/1123632092.db2.gz ZYCPKAHGAOAFEE-UHFFFAOYSA-N 1 1 336.863 3.751 20 30 EHEDMO CC(C)[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000609631868 1123634874 /nfs/dbraw/zinc/63/48/74/1123634874.db2.gz ALGHIEOJPXBZSO-GOSISDBHSA-N 1 1 327.472 3.691 20 30 EHEDMO N#Cc1c(F)cccc1N1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000609850456 1123674652 /nfs/dbraw/zinc/67/46/52/1123674652.db2.gz GICDRNOWTMHETF-UHFFFAOYSA-N 1 1 345.462 3.559 20 30 EHEDMO N#Cc1nnc2ccccc2c1NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000610130244 1123738364 /nfs/dbraw/zinc/73/83/64/1123738364.db2.gz BGJGUCIZGPXOPR-KRWDZBQOSA-N 1 1 349.482 3.958 20 30 EHEDMO N#Cc1nnc2ccccc2c1NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000610130245 1123738423 /nfs/dbraw/zinc/73/84/23/1123738423.db2.gz BGJGUCIZGPXOPR-QGZVFWFLSA-N 1 1 349.482 3.958 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245468907 1123843105 /nfs/dbraw/zinc/84/31/05/1123843105.db2.gz UIMXGUGLCYZVBI-KFWWJZLASA-N 1 1 331.485 3.750 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245468907 1123843108 /nfs/dbraw/zinc/84/31/08/1123843108.db2.gz UIMXGUGLCYZVBI-KFWWJZLASA-N 1 1 331.485 3.750 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000248371539 1124652624 /nfs/dbraw/zinc/65/26/24/1124652624.db2.gz YTKNHDSCPZTSOU-ILXRZTDVSA-N 1 1 331.485 3.607 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(OC(F)(F)F)cc2F)no1 ZINC001212325656 1124671507 /nfs/dbraw/zinc/67/15/07/1124671507.db2.gz ZKALOLREBLBNSI-LBPRGKRZSA-N 1 1 343.280 3.578 20 30 EHEDMO CCN1C[C@@H](C[N@@H+](C)CCCCC(C)(C)C#N)Oc2ccccc21 ZINC000618273389 1125033042 /nfs/dbraw/zinc/03/30/42/1125033042.db2.gz BTAWGONYEWUUKP-QGZVFWFLSA-N 1 1 329.488 3.926 20 30 EHEDMO COc1ccccc1CC[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735309379 1131333914 /nfs/dbraw/zinc/33/39/14/1131333914.db2.gz MBUHMWUMQINOEN-UHFFFAOYSA-N 1 1 344.842 3.925 20 30 EHEDMO Cc1cc(C[N@@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)ccc1C#N ZINC000618754201 1125191061 /nfs/dbraw/zinc/19/10/61/1125191061.db2.gz NJHHRGQIRAWWDG-GOSISDBHSA-N 1 1 348.368 3.792 20 30 EHEDMO Cc1cc(C[N@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)ccc1C#N ZINC000618754201 1125191063 /nfs/dbraw/zinc/19/10/63/1125191063.db2.gz NJHHRGQIRAWWDG-GOSISDBHSA-N 1 1 348.368 3.792 20 30 EHEDMO N#Cc1ccc2c(c1)CC[C@@H]2NC1CC[NH+](CCc2ccccc2)CC1 ZINC000618805792 1125207690 /nfs/dbraw/zinc/20/76/90/1125207690.db2.gz PEYOJINZLHGXKU-QHCPKHFHSA-N 1 1 345.490 3.842 20 30 EHEDMO Cc1c([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)nnn1-c1ccccc1 ZINC000618805455 1125207831 /nfs/dbraw/zinc/20/78/31/1125207831.db2.gz OHBLIBPXWOARTH-VLIAUNLRSA-N 1 1 343.434 3.786 20 30 EHEDMO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)C1 ZINC000619073479 1125272735 /nfs/dbraw/zinc/27/27/35/1125272735.db2.gz FELIGTLFWJLORH-UTKZUKDTSA-N 1 1 349.482 3.871 20 30 EHEDMO CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC1CC1 ZINC000114724332 1129187429 /nfs/dbraw/zinc/18/74/29/1129187429.db2.gz RHTQZDQCKBVEJJ-UHFFFAOYSA-N 1 1 331.485 3.559 20 30 EHEDMO CCSc1ccc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115599504 1129277429 /nfs/dbraw/zinc/27/74/29/1129277429.db2.gz AMVSLWSXDIYEKY-FZKQIMNGSA-N 1 1 339.464 3.547 20 30 EHEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000543209215 1129343281 /nfs/dbraw/zinc/34/32/81/1129343281.db2.gz HDFRLLRMODZMAB-SFHVURJKSA-N 1 1 328.456 3.696 20 30 EHEDMO N#Cc1cc(CNc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)cs1 ZINC000922334160 1129476529 /nfs/dbraw/zinc/47/65/29/1129476529.db2.gz DTZHEFAKBVSXRZ-GOSISDBHSA-N 1 1 338.480 3.516 20 30 EHEDMO C=CC(C)(C)CCCNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC001687503471 1129521476 /nfs/dbraw/zinc/52/14/76/1129521476.db2.gz VGSKWXXKRAHVNN-UHFFFAOYSA-N 1 1 349.544 3.610 20 30 EHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124065885 1129577729 /nfs/dbraw/zinc/57/77/29/1129577729.db2.gz ZHCVBISCWFTRIJ-MRXNPFEDSA-N 1 1 339.464 3.513 20 30 EHEDMO C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093531644 1129592881 /nfs/dbraw/zinc/59/28/81/1129592881.db2.gz GPFXLDUAICDNIO-IFXJQAMLSA-N 1 1 334.398 3.928 20 30 EHEDMO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093531644 1129592885 /nfs/dbraw/zinc/59/28/85/1129592885.db2.gz GPFXLDUAICDNIO-IFXJQAMLSA-N 1 1 334.398 3.928 20 30 EHEDMO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093531646 1129592972 /nfs/dbraw/zinc/59/29/72/1129592972.db2.gz GPFXLDUAICDNIO-LIRRHRJNSA-N 1 1 334.398 3.928 20 30 EHEDMO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093531646 1129592974 /nfs/dbraw/zinc/59/29/74/1129592974.db2.gz GPFXLDUAICDNIO-LIRRHRJNSA-N 1 1 334.398 3.928 20 30 EHEDMO CC(C)C[N@H+](Cc1ccccc1C#N)C[C@@H](O)c1ccc(F)cc1 ZINC000735872785 1131384552 /nfs/dbraw/zinc/38/45/52/1131384552.db2.gz VXJWWSPCTMCICD-HXUWFJFHSA-N 1 1 326.415 3.889 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2ncccc2c1 ZINC000124403757 1129604661 /nfs/dbraw/zinc/60/46/61/1129604661.db2.gz HMGAFBUQFUTDKD-UHFFFAOYSA-N 1 1 331.419 3.755 20 30 EHEDMO CC(C)Oc1cccc(C[N@H+](C)Cc2cnc3ccc(C#N)cn23)c1 ZINC000093864470 1129606115 /nfs/dbraw/zinc/60/61/15/1129606115.db2.gz XMXAITUIJDGNGF-UHFFFAOYSA-N 1 1 334.423 3.625 20 30 EHEDMO CC(C)Oc1cccc(C[N@@H+](C)Cc2cnc3ccc(C#N)cn23)c1 ZINC000093864470 1129606118 /nfs/dbraw/zinc/60/61/18/1129606118.db2.gz XMXAITUIJDGNGF-UHFFFAOYSA-N 1 1 334.423 3.625 20 30 EHEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000330958850 1129649688 /nfs/dbraw/zinc/64/96/88/1129649688.db2.gz IQOGYDDXVTVRBL-NSHDSACASA-N 1 1 345.390 3.611 20 30 EHEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)o1 ZINC000509108232 1129755174 /nfs/dbraw/zinc/75/51/74/1129755174.db2.gz JBWBIHKRFRNJDC-APWZRJJASA-N 1 1 335.451 3.987 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000509109670 1129755708 /nfs/dbraw/zinc/75/57/08/1129755708.db2.gz LHXTUNBSCDGLGX-RTWAWAEBSA-N 1 1 331.463 3.874 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Cl)cc2)c(C#N)c1C ZINC000031006358 1129937270 /nfs/dbraw/zinc/93/72/70/1129937270.db2.gz SQGWSNRIUULRCM-GFCCVEGCSA-N 1 1 345.830 3.881 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Cl)cc2)c(C#N)c1C ZINC000031006358 1129937273 /nfs/dbraw/zinc/93/72/73/1129937273.db2.gz SQGWSNRIUULRCM-GFCCVEGCSA-N 1 1 345.830 3.881 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429209717 1129979598 /nfs/dbraw/zinc/97/95/98/1129979598.db2.gz FLLPMARINHXXQH-OAHLLOKOSA-N 1 1 349.906 3.728 20 30 EHEDMO C=CC[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)C1 ZINC000625705312 1129987762 /nfs/dbraw/zinc/98/77/62/1129987762.db2.gz UEOACJJODFDKOA-FXAWDEMLSA-N 1 1 342.483 3.647 20 30 EHEDMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C#N)C(C)(C)C ZINC001128778630 1130160194 /nfs/dbraw/zinc/16/01/94/1130160194.db2.gz QHRUYVWWAVSOFZ-QRVBRYPASA-N 1 1 341.499 3.589 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000246061826 1130339595 /nfs/dbraw/zinc/33/95/95/1130339595.db2.gz WDVZHENLVFYGES-OEWRPIJISA-N 1 1 333.479 3.804 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1cccc(C#N)c1 ZINC000246061826 1130339601 /nfs/dbraw/zinc/33/96/01/1130339601.db2.gz WDVZHENLVFYGES-OEWRPIJISA-N 1 1 333.479 3.804 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1cccc(C#N)c1 ZINC000246061826 1130339606 /nfs/dbraw/zinc/33/96/06/1130339606.db2.gz WDVZHENLVFYGES-OEWRPIJISA-N 1 1 333.479 3.804 20 30 EHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CCOc2ccc(C#N)cc2OC)C1 ZINC000174347181 1130352175 /nfs/dbraw/zinc/35/21/75/1130352175.db2.gz YTKPHOCJZDNLEP-JKSUJKDBSA-N 1 1 334.485 3.552 20 30 EHEDMO C[N@H+](Cc1cc2ccccc2o1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000175191278 1130411833 /nfs/dbraw/zinc/41/18/33/1130411833.db2.gz LVWKOBLIFDZFAH-LJQANCHMSA-N 1 1 345.402 3.542 20 30 EHEDMO C[N@@H+](Cc1cc2ccccc2o1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000175191278 1130411837 /nfs/dbraw/zinc/41/18/37/1130411837.db2.gz LVWKOBLIFDZFAH-LJQANCHMSA-N 1 1 345.402 3.542 20 30 EHEDMO Cc1[nH+]ccn1CCCC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000731025854 1130761501 /nfs/dbraw/zinc/76/15/01/1130761501.db2.gz OXLNOPKWTXLRMZ-AWEZNQCLSA-N 1 1 342.468 3.862 20 30 EHEDMO C#CCOc1ccc(C[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000733326243 1131025919 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CCOc1ccc(/C=N\C[C@H]2CCC[N@H+]2Cc2ccccc2)c(O)c1 ZINC000734096500 1131192387 /nfs/dbraw/zinc/19/23/87/1131192387.db2.gz NSSSCEXIQRMHOC-HBEGMLAUSA-N 1 1 338.451 3.874 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CCC1N=Nc1cccc2ncccc12 ZINC000734365063 1131225586 /nfs/dbraw/zinc/22/55/86/1131225586.db2.gz AQZHYULBBMTHKW-INIZCTEOSA-N 1 1 345.450 3.940 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@@H+](CC)C[C@@H]1CCOC1 ZINC000738076757 1131460339 /nfs/dbraw/zinc/46/03/39/1131460339.db2.gz OQCGCPKHDFMMPG-HNNXBMFYSA-N 1 1 331.485 3.630 20 30 EHEDMO CC[C@H]1CCCCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000739926880 1131517318 /nfs/dbraw/zinc/51/73/18/1131517318.db2.gz MFBQJLCIEFBEDZ-IRXDYDNUSA-N 1 1 348.450 3.878 20 30 EHEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cn2ccc(-c3ccc(C#N)cc3)n2)C1(C)C ZINC000740861259 1131547531 /nfs/dbraw/zinc/54/75/31/1131547531.db2.gz MFXBZKZZVUEQLY-MOPGFXCFSA-N 1 1 338.455 3.515 20 30 EHEDMO CCCC[C@@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C1(C#N)CCC1 ZINC001273379497 1131575929 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COc1cc(C[NH2+]Cc2cc(C#N)ccc2F)c(SC)cc1OC ZINC000742381885 1131712856 /nfs/dbraw/zinc/71/28/56/1131712856.db2.gz QGBGFYZKDKZXDB-UHFFFAOYSA-N 1 1 346.427 3.726 20 30 EHEDMO CC[C@@H](CC(C)C)[N@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001172396142 1131731199 /nfs/dbraw/zinc/73/11/99/1131731199.db2.gz BHBMCPGMHFEIDM-GHTZIAJQSA-N 1 1 339.483 3.812 20 30 EHEDMO C[C@@H](CCCC#N)[N@H+]1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 ZINC001172494241 1131757765 /nfs/dbraw/zinc/75/77/65/1131757765.db2.gz GJZAMCPAYQRHPW-SXLOBPIMSA-N 1 1 327.472 3.783 20 30 EHEDMO C[C@@H](CCCC#N)[N@H+]1CCc2ncnc(-c3ccsc3)c2CC1 ZINC001172494572 1131757806 /nfs/dbraw/zinc/75/78/06/1131757806.db2.gz IHXNOUSSAOVFLM-AWEZNQCLSA-N 1 1 326.469 3.688 20 30 EHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001172496867 1131758728 /nfs/dbraw/zinc/75/87/28/1131758728.db2.gz SIFQGRMHVSHHQW-APWZRJJASA-N 1 1 335.492 3.792 20 30 EHEDMO CC[C@H]1[N@H+]([C@H](C)CCCC#N)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001172495606 1131759170 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ZINC001173326664 1132048597 /nfs/dbraw/zinc/04/85/97/1132048597.db2.gz MISVPNNEWIICFM-RJYAGPCLSA-N 1 1 337.410 3.852 20 30 EHEDMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](C1CCC(CC#N)CC1)C2 ZINC001173332812 1132050408 /nfs/dbraw/zinc/05/04/08/1132050408.db2.gz GJSSRTYAFQFLJD-TUNPWDSISA-N 1 1 332.488 3.533 20 30 EHEDMO N#CCC1CCC([N@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)CC1 ZINC001173332674 1132050895 /nfs/dbraw/zinc/05/08/95/1132050895.db2.gz DJBKZIMZBOKACE-RJYAGPCLSA-N 1 1 343.496 3.649 20 30 EHEDMO COc1ccccc1[C@H](O)C[N@@H+](C(C)C)C1CCC(CC#N)CC1 ZINC001173337601 1132052837 /nfs/dbraw/zinc/05/28/37/1132052837.db2.gz PXMPFCHSYLONAF-FAFZWHIHSA-N 1 1 330.472 3.911 20 30 EHEDMO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C3CCC(CC#N)CC3)C[C@@H]12 ZINC001173340783 1132054195 /nfs/dbraw/zinc/05/41/95/1132054195.db2.gz LQTGCACEHLDWCU-CAGXLSFWSA-N 1 1 347.503 3.694 20 30 EHEDMO C#CC[N@H+](CCC(=O)Nc1cccc(OC)c1)[C@@H]1CCc2ccccc21 ZINC000744387651 1132083628 /nfs/dbraw/zinc/08/36/28/1132083628.db2.gz DNZHDJZFNVQRCM-OAQYLSRUSA-N 1 1 348.446 3.647 20 30 EHEDMO COC(=O)CCCC[C@H](C)[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001173460165 1132084200 /nfs/dbraw/zinc/08/42/00/1132084200.db2.gz RFDXWLYFCZIHHN-QFBILLFUSA-N 1 1 344.455 3.523 20 30 EHEDMO CCC(CC)C[N@H+](CCC#N)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000744405515 1132089881 /nfs/dbraw/zinc/08/98/81/1132089881.db2.gz OZDKMFVBQWYJAW-UHFFFAOYSA-N 1 1 342.439 3.959 20 30 EHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000744405515 1132089890 /nfs/dbraw/zinc/08/98/90/1132089890.db2.gz OZDKMFVBQWYJAW-UHFFFAOYSA-N 1 1 342.439 3.959 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173596123 1132098650 /nfs/dbraw/zinc/09/86/50/1132098650.db2.gz KKEMYZUPLWEEKY-MDCZIUGASA-N 1 1 335.492 3.696 20 30 EHEDMO Cc1ccc2nc(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)[nH]c2c1 ZINC000744446734 1132102123 /nfs/dbraw/zinc/10/21/23/1132102123.db2.gz AKNOINMLSCOWDS-UHFFFAOYSA-N 1 1 333.439 3.511 20 30 EHEDMO CCCCCCCCOCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000744749818 1132143064 /nfs/dbraw/zinc/14/30/64/1132143064.db2.gz XCVCEWBEFPXMBW-MOPGFXCFSA-N 1 1 338.536 3.837 20 30 EHEDMO C=CCN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C(C)C ZINC000745845594 1132324213 /nfs/dbraw/zinc/32/42/13/1132324213.db2.gz BIBUHBAZWQQDJD-RDJZCZTQSA-N 1 1 335.517 3.737 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@@H+](CCc2ccccc2)C2CC2)cc1 ZINC000746122973 1132379499 /nfs/dbraw/zinc/37/94/99/1132379499.db2.gz BQSYCFNPQYJBKC-UHFFFAOYSA-N 1 1 333.435 3.594 20 30 EHEDMO CC(=O)N1CC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H](C)c2ccccc2)C1 ZINC001169560313 1132786038 /nfs/dbraw/zinc/78/60/38/1132786038.db2.gz LNNCHASFTXUYTH-VGOFRKELSA-N 1 1 347.462 3.742 20 30 EHEDMO N#Cc1ccc(Cl)cc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175860550 1132786942 /nfs/dbraw/zinc/78/69/42/1132786942.db2.gz ZPFYGYSAGIHEBS-UHFFFAOYSA-N 1 1 327.815 3.787 20 30 EHEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCCC[C@H]2CC2(O)CCCCC2)c1 ZINC001176063462 1132838690 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1132923717 /nfs/dbraw/zinc/92/37/17/1132923717.db2.gz PLTBQRDFXCUPJD-MOPGFXCFSA-N 1 1 349.478 3.684 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H](C)CN1Cc1ccccc1 ZINC000766964184 1132923724 /nfs/dbraw/zinc/92/37/24/1132923724.db2.gz PLTBQRDFXCUPJD-MOPGFXCFSA-N 1 1 349.478 3.684 20 30 EHEDMO C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000767072099 1132941297 /nfs/dbraw/zinc/94/12/97/1132941297.db2.gz QJNINCJXJUMUGF-CQSZACIVSA-N 1 1 335.879 3.633 20 30 EHEDMO C[C@@H]1CC(N=Nc2nncc3ccccc32)C[N@@H+](Cc2ccccc2)C1 ZINC000767357624 1132988766 /nfs/dbraw/zinc/98/87/66/1132988766.db2.gz IIJHCRHVYKVPEI-MRXNPFEDSA-N 1 1 345.450 3.940 20 30 EHEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 ZINC001176813490 1133001495 /nfs/dbraw/zinc/00/14/95/1133001495.db2.gz BTHGFSQXJZEMKS-IBGZPJMESA-N 1 1 326.484 3.951 20 30 EHEDMO C#CCOc1ccc(CNCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001177491689 1133069956 /nfs/dbraw/zinc/06/99/56/1133069956.db2.gz CDITXXYWKKZTKK-HDICACEKSA-N 1 1 328.500 3.545 20 30 EHEDMO C#CCOc1ccc(C[NH2+]CC(C)(C)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC001177491689 1133069961 /nfs/dbraw/zinc/06/99/61/1133069961.db2.gz CDITXXYWKKZTKK-HDICACEKSA-N 1 1 328.500 3.545 20 30 EHEDMO C#CCOc1ccc(C[N@H+](C)Cc2ccc(Br)o2)cc1 ZINC000768263488 1133119379 /nfs/dbraw/zinc/11/93/79/1133119379.db2.gz SDDFMKPIPUYNDS-UHFFFAOYSA-N 1 1 334.213 3.686 20 30 EHEDMO C#CCOc1ccc(C[N@@H+](C)Cc2ccc(Br)o2)cc1 ZINC000768263488 1133119382 /nfs/dbraw/zinc/11/93/82/1133119382.db2.gz SDDFMKPIPUYNDS-UHFFFAOYSA-N 1 1 334.213 3.686 20 30 EHEDMO C=CCC(C)(C)C[NH2+]Cc1c(Cl)cccc1N1CCN(C)CC1 ZINC001178796141 1133199547 /nfs/dbraw/zinc/19/95/47/1133199547.db2.gz TUNJRTWYNMDEBD-UHFFFAOYSA-N 1 1 335.923 3.784 20 30 EHEDMO C#CCCOc1ccc(CN2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000769209237 1133244863 /nfs/dbraw/zinc/24/48/63/1133244863.db2.gz RERZVBURLJZAMR-UHFFFAOYSA-N 1 1 326.484 3.539 20 30 EHEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000769227804 1133247073 /nfs/dbraw/zinc/24/70/73/1133247073.db2.gz GUXPSOCPURVUBL-HNNXBMFYSA-N 1 1 328.362 3.857 20 30 EHEDMO CC[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769484004 1133289105 /nfs/dbraw/zinc/28/91/05/1133289105.db2.gz JCDMYCWNIVWLQQ-ZBFHGGJFSA-N 1 1 349.500 3.745 20 30 EHEDMO C[C@H](C#N)C[N@H+](Cc1ccccc1-n1nnc2ccccc21)C1CC1 ZINC001180136987 1133329220 /nfs/dbraw/zinc/32/92/20/1133329220.db2.gz RSWNIDDEJVHRPE-OAHLLOKOSA-N 1 1 331.423 3.545 20 30 EHEDMO C[C@H](C#N)C[N@@H+](Cc1ccccc1-n1nnc2ccccc21)C1CC1 ZINC001180136987 1133329225 /nfs/dbraw/zinc/32/92/25/1133329225.db2.gz RSWNIDDEJVHRPE-OAHLLOKOSA-N 1 1 331.423 3.545 20 30 EHEDMO COc1cc(CN2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC001180142949 1133331549 /nfs/dbraw/zinc/33/15/49/1133331549.db2.gz SHBBTZFKBWIHCJ-ZWKOTPCHSA-N 1 1 349.478 3.662 20 30 EHEDMO C#Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1 ZINC001180210705 1133343834 /nfs/dbraw/zinc/34/38/34/1133343834.db2.gz MORDWHYQRJGBCO-HXUWFJFHSA-N 1 1 332.447 3.561 20 30 EHEDMO Cc1c(Cl)cccc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC001182109330 1133573032 /nfs/dbraw/zinc/57/30/32/1133573032.db2.gz LUULDXQCBWRXDT-MRXNPFEDSA-N 1 1 327.815 3.568 20 30 EHEDMO CCCCCCCC[C@H](O)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000774019714 1133589454 /nfs/dbraw/zinc/58/94/54/1133589454.db2.gz QPYIZGFJBLCMEU-QYZOEREBSA-N 1 1 338.536 3.573 20 30 EHEDMO CCCC[N@@H+](CC)[C@H](C(=O)N(CCC#N)CCC#N)c1ccccc1 ZINC001182233542 1133595004 /nfs/dbraw/zinc/59/50/04/1133595004.db2.gz HSUFEEUVSFRZDZ-IBGZPJMESA-N 1 1 340.471 3.506 20 30 EHEDMO CCCC[N@@H+](CC)[C@@H](C(=O)N1CCC[C@@H](C#N)C1)c1ccccc1 ZINC001182236650 1133596380 /nfs/dbraw/zinc/59/63/80/1133596380.db2.gz ZWMIGPQCJVFULO-PKOBYXMFSA-N 1 1 327.472 3.612 20 30 EHEDMO C[C@H](C#N)N(C)C(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182247672 1133601448 /nfs/dbraw/zinc/60/14/48/1133601448.db2.gz HZBFZBAMOUBJHC-RHSMWYFYSA-N 1 1 333.863 3.628 20 30 EHEDMO CCCC[N@@H+](CC)[C@@H](C(=O)N[C@H](C#N)CC(C)C)c1ccccc1 ZINC001182237920 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340.467 3.938 20 30 EHEDMO Cc1cc(F)ccc1[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000746663135 1133974345 /nfs/dbraw/zinc/97/43/45/1133974345.db2.gz NXLJFLLDWNXQIU-FQEVSTJZSA-N 1 1 326.415 3.950 20 30 EHEDMO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)ccc1C#N ZINC000774885624 1134089947 /nfs/dbraw/zinc/08/99/47/1134089947.db2.gz CQOCHJLXNNQUMJ-MAUKXSAKSA-N 1 1 343.471 3.602 20 30 EHEDMO C[N@H+]1CCC[C@H](C(=O)Nc2cc(-c3ccc(F)cc3)sc2C#N)C1 ZINC001186344962 1134205373 /nfs/dbraw/zinc/20/53/73/1134205373.db2.gz CXTTUEOTAUDYBY-ZDUSSCGKSA-N 1 1 343.427 3.706 20 30 EHEDMO c1ccc(C[N@@H+]2C[C@H]3CCCC(=NNCCc4ccncc4)[C@@H]3C2)cc1 ZINC000789094642 1134225145 /nfs/dbraw/zinc/22/51/45/1134225145.db2.gz UUEXLEAQHOYJSF-NHCUHLMSSA-N 1 1 348.494 3.502 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)CCc2cc(Cl)ccc2Cl)n1 ZINC000789331967 1134258245 /nfs/dbraw/zinc/25/82/45/1134258245.db2.gz LJUKRFSMMYVYLQ-UHFFFAOYSA-N 1 1 336.266 3.888 20 30 EHEDMO CC[NH+](CC)[C@@H](C(=O)OCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000791378439 1134537387 /nfs/dbraw/zinc/53/73/87/1134537387.db2.gz RYIJFPMSCHVQEV-LJQANCHMSA-N 1 1 340.398 3.824 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N2CC[C@@H]([N@@H+](C)C3CC3)C2)c1 ZINC001189267692 1134564946 /nfs/dbraw/zinc/56/49/46/1134564946.db2.gz BGTMFTYDTHGJAE-LJQANCHMSA-N 1 1 341.499 3.833 20 30 EHEDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000792215625 1134672205 /nfs/dbraw/zinc/67/22/05/1134672205.db2.gz QJRGOIMGVMPXEQ-SFHVURJKSA-N 1 1 345.462 3.606 20 30 EHEDMO CC(C)C[C@@H]1CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001190769995 1134749120 /nfs/dbraw/zinc/74/91/20/1134749120.db2.gz MSFUWGZPRLZCPA-OALUTQOASA-N 1 1 325.456 3.564 20 30 EHEDMO C#C[C@@H](CC)[NH2+][C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000792638213 1134754670 /nfs/dbraw/zinc/75/46/70/1134754670.db2.gz ZJTLGNDYAZORTH-FXAWDEMLSA-N 1 1 336.435 3.767 20 30 EHEDMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c([N+](=O)[O-])c1 ZINC001170342024 1134758818 /nfs/dbraw/zinc/75/88/18/1134758818.db2.gz LLOPZNVCFZXKLO-CQSZACIVSA-N 1 1 339.395 3.538 20 30 EHEDMO CCN(CC)[C@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170388750 1134762298 /nfs/dbraw/zinc/76/22/98/1134762298.db2.gz CEYULTBRPCNIHD-KBWCOIMZSA-N 1 1 325.500 3.807 20 30 EHEDMO CC[NH+](CC)[C@H]1CCN(C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170388750 1134762303 /nfs/dbraw/zinc/76/23/03/1134762303.db2.gz CEYULTBRPCNIHD-KBWCOIMZSA-N 1 1 325.500 3.807 20 30 EHEDMO C[C@@]1(CO)CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170379191 1134766916 /nfs/dbraw/zinc/76/69/16/1134766916.db2.gz SNWIRTHHOXMWOI-NYLDSWQDSA-N 1 1 326.484 3.875 20 30 EHEDMO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170379385 1134767190 /nfs/dbraw/zinc/76/71/90/1134767190.db2.gz WTKXTQSVKNQZJP-BFIFELMSSA-N 1 1 340.467 3.664 20 30 EHEDMO C[C@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CC[C@]1(C)O ZINC001170379436 1134767241 /nfs/dbraw/zinc/76/72/41/1134767241.db2.gz YKEYXSFOGOWJGU-AFVILVPDSA-N 1 1 326.484 3.873 20 30 EHEDMO CCOC(=O)C1([N@@H+](C)CCCOc2ccc(C#N)cc2)CCCCC1 ZINC001191731139 1134913965 /nfs/dbraw/zinc/91/39/65/1134913965.db2.gz JHUWLXQJNKIEFH-UHFFFAOYSA-N 1 1 344.455 3.525 20 30 EHEDMO C[N@@H+](Cn1cc2c(c(C#N)c1=O)CCCC2)[C@@H]1CCCc2ccccc21 ZINC000793484515 1134939315 /nfs/dbraw/zinc/93/93/15/1134939315.db2.gz SJXPUMCBXUDWGG-OAQYLSRUSA-N 1 1 347.462 3.566 20 30 EHEDMO C[N@@H+](Cn1cc2c(c(C#N)c1=O)CCCC2)[C@H]1CCCc2ccccc21 ZINC000793484510 1134939500 /nfs/dbraw/zinc/93/95/00/1134939500.db2.gz SJXPUMCBXUDWGG-NRFANRHFSA-N 1 1 347.462 3.566 20 30 EHEDMO C[NH+](C)Cc1ccc(NC(=O)/C=C\c2ccccc2C#N)cc1Cl ZINC000794219456 1135029388 /nfs/dbraw/zinc/02/93/88/1135029388.db2.gz DDSDRJUJPGZBKT-NTMALXAHSA-N 1 1 339.826 3.925 20 30 EHEDMO CCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000794325005 1135040921 /nfs/dbraw/zinc/04/09/21/1135040921.db2.gz BEAHLFKBJUZWOV-KRWDZBQOSA-N 1 1 345.462 3.606 20 30 EHEDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000794325005 1135040926 /nfs/dbraw/zinc/04/09/26/1135040926.db2.gz BEAHLFKBJUZWOV-KRWDZBQOSA-N 1 1 345.462 3.606 20 30 EHEDMO C#C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1F ZINC000804416183 1135070590 /nfs/dbraw/zinc/07/05/90/1135070590.db2.gz LMAAWFDGLNOKJE-MSOLQXFVSA-N 1 1 344.817 3.573 20 30 EHEDMO C[N@@H+](Cc1ccccc1NC(=O)c1cnccc1C#N)C1CCCCC1 ZINC001192974857 1135085504 /nfs/dbraw/zinc/08/55/04/1135085504.db2.gz AOZGZHOVVOGPDX-UHFFFAOYSA-N 1 1 348.450 3.970 20 30 EHEDMO C#CCOCC[N@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC001193022264 1135090373 /nfs/dbraw/zinc/09/03/73/1135090373.db2.gz QWZBVJXBBTVKJB-UHFFFAOYSA-N 1 1 331.362 3.839 20 30 EHEDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)CC12CCCCC2 ZINC001193637419 1135163341 /nfs/dbraw/zinc/16/33/41/1135163341.db2.gz WPLHUDIHGFUQHO-MJGOQNOKSA-N 1 1 342.483 3.590 20 30 EHEDMO N#Cc1ccc(CC[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001194269437 1135253764 /nfs/dbraw/zinc/25/37/64/1135253764.db2.gz PLPSLZPHLFCAAK-QHCPKHFHSA-N 1 1 345.490 3.699 20 30 EHEDMO N#Cc1ccc(CC[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001194269437 1135253771 /nfs/dbraw/zinc/25/37/71/1135253771.db2.gz PLPSLZPHLFCAAK-QHCPKHFHSA-N 1 1 345.490 3.699 20 30 EHEDMO N#Cc1ccc(CCN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001194269437 1135253774 /nfs/dbraw/zinc/25/37/74/1135253774.db2.gz PLPSLZPHLFCAAK-QHCPKHFHSA-N 1 1 345.490 3.699 20 30 EHEDMO N#Cc1ccc(CCN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001194269437 1135253777 /nfs/dbraw/zinc/25/37/77/1135253777.db2.gz PLPSLZPHLFCAAK-QHCPKHFHSA-N 1 1 345.490 3.699 20 30 EHEDMO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000805774084 1135325144 /nfs/dbraw/zinc/32/51/44/1135325144.db2.gz AGLSTGIBGVZOID-INIZCTEOSA-N 1 1 349.862 3.702 20 30 EHEDMO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000805774084 1135325147 /nfs/dbraw/zinc/32/51/47/1135325147.db2.gz AGLSTGIBGVZOID-INIZCTEOSA-N 1 1 349.862 3.702 20 30 EHEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCc3cccc(Cl)c3C2)cc1 ZINC001195012156 1135348154 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20 30 EHEDMO N#Cc1ccc(C2([NH2+]Cc3sncc3Br)CCC2)cc1 ZINC001195557095 1135436386 /nfs/dbraw/zinc/43/63/86/1135436386.db2.gz ADWKPCAXBLDTJL-UHFFFAOYSA-N 1 1 348.269 3.946 20 30 EHEDMO C=CC[C@@H]1CCC[N@H+](CCOc2ccc3c(C)cc(=O)oc3c2)C1 ZINC001195946051 1135498042 /nfs/dbraw/zinc/49/80/42/1135498042.db2.gz FUNVIJUWGWTIEP-MRXNPFEDSA-N 1 1 327.424 3.768 20 30 EHEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)N[C@@H](CC)c2ccccc2OCC)C1 ZINC001195946085 1135498076 /nfs/dbraw/zinc/49/80/76/1135498076.db2.gz GKWHWHHEQPFUHJ-MJGOQNOKSA-N 1 1 344.499 3.941 20 30 EHEDMO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1C(=S)Nc1ccccc1C#N ZINC001196311609 1135541479 /nfs/dbraw/zinc/54/14/79/1135541479.db2.gz JBLIOIYEFWOLNO-IRXDYDNUSA-N 1 1 342.512 3.594 20 30 EHEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc(CCCCC)cc2)C1 ZINC001197008088 1135639148 /nfs/dbraw/zinc/63/91/48/1135639148.db2.gz CJOLXKSUDIHXBI-IBGZPJMESA-N 1 1 327.472 3.638 20 30 EHEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(CCCCC)cc2)C1 ZINC001197008088 1135639151 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C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(N(C)C)cc1 ZINC000775831119 1135784923 /nfs/dbraw/zinc/78/49/23/1135784923.db2.gz PSOOTARFEZRYKL-CQSZACIVSA-N 1 1 347.422 3.525 20 30 EHEDMO CCCC[N@@H+](C)C[C@H](C)NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000809168891 1135788444 /nfs/dbraw/zinc/78/84/44/1135788444.db2.gz PDCUEUCITKYADB-LBPRGKRZSA-N 1 1 338.908 3.618 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC001198458848 1135817288 /nfs/dbraw/zinc/81/72/88/1135817288.db2.gz YAYBBFSEIZTVQT-MJBXVCDLSA-N 1 1 325.378 3.576 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC001198458848 1135817292 /nfs/dbraw/zinc/81/72/92/1135817292.db2.gz YAYBBFSEIZTVQT-MJBXVCDLSA-N 1 1 325.378 3.576 20 30 EHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(COCCOC)cc1 ZINC000809556728 1135856270 /nfs/dbraw/zinc/85/62/70/1135856270.db2.gz UHGHEAWRABSTCP-UHFFFAOYSA-N 1 1 341.426 3.624 20 30 EHEDMO C#Cc1ccc(CNc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000809599452 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348.446 3.892 20 30 EHEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000851803644 1136409152 /nfs/dbraw/zinc/40/91/52/1136409152.db2.gz UQVNFNKJBDYJDC-QZTJIDSGSA-N 1 1 326.465 3.750 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2CCC[C@H](CC#N)C2)C1 ZINC000852319303 1136447697 /nfs/dbraw/zinc/44/76/97/1136447697.db2.gz JTWSHOHUWKHNKT-IAGOWNOFSA-N 1 1 335.492 3.649 20 30 EHEDMO C[C@H]1C(N=Nc2ccc(Cl)nn2)CCC[N@H+]1Cc1ccccc1 ZINC000814697840 1136493480 /nfs/dbraw/zinc/49/34/80/1136493480.db2.gz FJUJUHPZYNJPDN-ZDUSSCGKSA-N 1 1 329.835 3.582 20 30 EHEDMO N#CC[C@H]1CCC[N@H+](Cn2c3ccccc3nc2SC(F)F)C1 ZINC000853525434 1136540968 /nfs/dbraw/zinc/54/09/68/1136540968.db2.gz DRAIXOIIDFHXCV-GFCCVEGCSA-N 1 1 336.411 3.934 20 30 EHEDMO C=CCn1c(=S)n(C[N@H+](CCC2CC2)CC2CC2)nc1C1CC1 ZINC000853604668 1136548298 /nfs/dbraw/zinc/54/82/98/1136548298.db2.gz OWAIMZNREYSBJK-UHFFFAOYSA-N 1 1 332.517 3.947 20 30 EHEDMO C=CCn1c(=S)n(C[N@@H+](CCC2CC2)CC2CC2)nc1C1CC1 ZINC000853604668 1136548301 /nfs/dbraw/zinc/54/83/01/1136548301.db2.gz OWAIMZNREYSBJK-UHFFFAOYSA-N 1 1 332.517 3.947 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@H+](C)CC1=CCSC1 ZINC000853618556 1136549762 /nfs/dbraw/zinc/54/97/62/1136549762.db2.gz HEXDUCSTZNDERY-UHFFFAOYSA-N 1 1 331.510 3.877 20 30 EHEDMO C#CCCOc1ccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1 ZINC000776694143 1136567147 /nfs/dbraw/zinc/56/71/47/1136567147.db2.gz YFELGYNSWWEXIX-QFIPXVFZSA-N 1 1 335.447 3.532 20 30 EHEDMO C#CCCOc1ccc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1 ZINC000776694143 1136567150 /nfs/dbraw/zinc/56/71/50/1136567150.db2.gz YFELGYNSWWEXIX-QFIPXVFZSA-N 1 1 335.447 3.532 20 30 EHEDMO CC1(C)Cc2c(cnn2-c2ccccc2)C[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000854062004 1136584802 /nfs/dbraw/zinc/58/48/02/1136584802.db2.gz ROHPWKSMIDKIFW-LPHOPBHVSA-N 1 1 334.467 3.949 20 30 EHEDMO CCCC[N@@H+](C)CC1CCN(C(=O)C#Cc2ccc(CC)cc2)CC1 ZINC000815592586 1136615981 /nfs/dbraw/zinc/61/59/81/1136615981.db2.gz MJPKTDAUNIEKDP-UHFFFAOYSA-N 1 1 340.511 3.571 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)c1cc(C#N)cs1 ZINC000816455016 1136717765 /nfs/dbraw/zinc/71/77/65/1136717765.db2.gz MCADXKBGGWHMHU-RHSMWYFYSA-N 1 1 340.448 3.687 20 30 EHEDMO C[C@@H]1[C@H](OC(=O)c2cccc(CC#N)c2)CCC[N@H+]1Cc1ccccc1 ZINC000816468981 1136720133 /nfs/dbraw/zinc/72/01/33/1136720133.db2.gz QGEMPVQXKXSBQB-DYESRHJHSA-N 1 1 348.446 3.963 20 30 EHEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000173304223 1136724935 /nfs/dbraw/zinc/72/49/35/1136724935.db2.gz LSMQEKVZCHGJNR-MRXNPFEDSA-N 1 1 329.469 3.505 20 30 EHEDMO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cc(Cl)c(F)cc1O ZINC000816613019 1136741902 /nfs/dbraw/zinc/74/19/02/1136741902.db2.gz FVOINJWLKCWLHF-UHFFFAOYSA-N 1 1 348.805 3.705 20 30 EHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cc(Cl)c(F)cc1O ZINC000816613019 1136741905 /nfs/dbraw/zinc/74/19/05/1136741905.db2.gz FVOINJWLKCWLHF-UHFFFAOYSA-N 1 1 348.805 3.705 20 30 EHEDMO C[C@@H]1C[C@@H](C)[N@@H+](CCC(C)(C)C#N)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817291366 1136791470 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3.647 20 30 EHEDMO C[C@@H](NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(OCC#N)cc1 ZINC000858465390 1136970208 /nfs/dbraw/zinc/97/02/08/1136970208.db2.gz XUZOKUMRDCGRFS-APWZRJJASA-N 1 1 327.472 3.647 20 30 EHEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H](CC#N)c2ccccc2)C1 ZINC001136405713 1137014003 /nfs/dbraw/zinc/01/40/03/1137014003.db2.gz WTCDZWBHGMIPMC-SCTDSRPQSA-N 1 1 341.499 3.557 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000859929809 1137037337 /nfs/dbraw/zinc/03/73/37/1137037337.db2.gz LBLSIQOBUTUOCE-SESVDKBCSA-N 1 1 345.446 3.622 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000822526812 1137062535 /nfs/dbraw/zinc/06/25/35/1137062535.db2.gz YKLPYDFNIDFGLA-OAHLLOKOSA-N 1 1 333.435 3.660 20 30 EHEDMO N#CCOc1ccc(C[N@H+](CCN2CCCCCC2)C2CCC2)cc1 ZINC000805791704 1137064443 /nfs/dbraw/zinc/06/44/43/1137064443.db2.gz NPZOCDZSBVKIPE-UHFFFAOYSA-N 1 1 341.499 3.819 20 30 EHEDMO N#CCOc1ccc(C[N@@H+](CCN2CCCCCC2)C2CCC2)cc1 ZINC000805791704 1137064444 /nfs/dbraw/zinc/06/44/44/1137064444.db2.gz NPZOCDZSBVKIPE-UHFFFAOYSA-N 1 1 341.499 3.819 20 30 EHEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000823629237 1137107196 /nfs/dbraw/zinc/10/71/96/1137107196.db2.gz LQVWWWODZZZCPR-RTBURBONSA-N 1 1 342.826 3.550 20 30 EHEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000823629237 1137107197 /nfs/dbraw/zinc/10/71/97/1137107197.db2.gz LQVWWWODZZZCPR-RTBURBONSA-N 1 1 342.826 3.550 20 30 EHEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc2scc(C)c2c1 ZINC001171069666 1137154783 /nfs/dbraw/zinc/15/47/83/1137154783.db2.gz MPXFGQMWNSVDAI-INIZCTEOSA-N 1 1 332.469 3.848 20 30 EHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@H](c2ccccc2)OC1=O ZINC000863258915 1137178485 /nfs/dbraw/zinc/17/84/85/1137178485.db2.gz PZNLQFZHUAWLNZ-HXUWFJFHSA-N 1 1 349.434 3.920 20 30 EHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C[C@H](c2ccccc2)OC1=O ZINC000863258915 1137178486 /nfs/dbraw/zinc/17/84/86/1137178486.db2.gz PZNLQFZHUAWLNZ-HXUWFJFHSA-N 1 1 349.434 3.920 20 30 EHEDMO C#C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)c1ccc(Cl)cc1F ZINC000843884687 1137186606 /nfs/dbraw/zinc/18/66/06/1137186606.db2.gz UOTHWPMKVLILTH-MLGOLLRUSA-N 1 1 347.821 3.680 20 30 EHEDMO C#C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)c1ccc(Cl)cc1 ZINC000843890873 1137186894 /nfs/dbraw/zinc/18/68/94/1137186894.db2.gz FLFJVHUETQMGAI-CJNGLKHVSA-N 1 1 329.831 3.541 20 30 EHEDMO FC(F)(F)CCNN=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000794551508 1137199961 /nfs/dbraw/zinc/19/99/61/1137199961.db2.gz CJPKYISOBVYGKV-JKSUJKDBSA-N 1 1 339.405 3.817 20 30 EHEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1OC ZINC000844313024 1137208925 /nfs/dbraw/zinc/20/89/25/1137208925.db2.gz PVSVIVTUFXOCIU-MRXNPFEDSA-N 1 1 325.368 3.716 20 30 EHEDMO CO[C@@H](C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000844371051 1137213125 /nfs/dbraw/zinc/21/31/25/1137213125.db2.gz MACYRVVUJJMDKU-MOPGFXCFSA-N 1 1 344.842 3.565 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000794670855 1137222980 /nfs/dbraw/zinc/22/29/80/1137222980.db2.gz COBFAPQUYZCNJX-GOSISDBHSA-N 1 1 331.485 3.509 20 30 EHEDMO Cn1cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000844438569 1137223062 /nfs/dbraw/zinc/22/30/62/1137223062.db2.gz FAFSNIQPNHEHLD-SFHVURJKSA-N 1 1 342.393 3.580 20 30 EHEDMO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCn4ccnc43)c2)c1 ZINC001202513266 1137225265 /nfs/dbraw/zinc/22/52/65/1137225265.db2.gz LJQINHHLUIRIAO-FQEVSTJZSA-N 1 1 344.418 3.568 20 30 EHEDMO CC[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000120028870 1137225367 /nfs/dbraw/zinc/22/53/67/1137225367.db2.gz ZKQQEVBFHFQKJX-HNNXBMFYSA-N 1 1 338.407 3.728 20 30 EHEDMO CC(C)(C)OC(=O)NCCCCCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000844473240 1137227438 /nfs/dbraw/zinc/22/74/38/1137227438.db2.gz WQXKPUGFIBETKX-UHFFFAOYSA-N 1 1 343.471 3.959 20 30 EHEDMO CC(C)(C)OC(=O)NCCCCCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000844473240 1137227439 /nfs/dbraw/zinc/22/74/39/1137227439.db2.gz WQXKPUGFIBETKX-UHFFFAOYSA-N 1 1 343.471 3.959 20 30 EHEDMO C[NH+](C)[C@H](CNC(=O)c1sccc1CC#N)c1ccccc1Cl ZINC000864539407 1137233797 /nfs/dbraw/zinc/23/37/97/1137233797.db2.gz HVDGANYFRBXAFW-OAHLLOKOSA-N 1 1 347.871 3.500 20 30 EHEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171133555 1137234191 /nfs/dbraw/zinc/23/41/91/1137234191.db2.gz NAFWKAJCMQOOFY-MSOLQXFVSA-N 1 1 348.874 3.574 20 30 EHEDMO C=C(C)CCC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001144099210 1137238743 /nfs/dbraw/zinc/23/87/43/1137238743.db2.gz SVDYFPZGJIQHLS-UHFFFAOYSA-N 1 1 326.444 3.844 20 30 EHEDMO C#Cc1cccc(N(C)C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC001144133634 1137242741 /nfs/dbraw/zinc/24/27/41/1137242741.db2.gz CPTLDQRGBYKKRV-NRFANRHFSA-N 1 1 346.474 3.585 20 30 EHEDMO CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)Cc2ccc(C#N)cn2)CC1 ZINC001144166448 1137248406 /nfs/dbraw/zinc/24/84/06/1137248406.db2.gz GURCVHZQEFWVBA-QAQDUYKDSA-N 1 1 343.471 3.535 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cccc(CC)c1)CC2 ZINC001144321322 1137271972 /nfs/dbraw/zinc/27/19/72/1137271972.db2.gz HFFZQMGRSUXFRI-NRFANRHFSA-N 1 1 326.484 3.782 20 30 EHEDMO CN(C)c1ccc(C#N)cc1CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000865405751 1137280523 /nfs/dbraw/zinc/28/05/23/1137280523.db2.gz VBWUELPQHVKEPP-UHFFFAOYSA-N 1 1 348.494 3.510 20 30 EHEDMO CCCC[C@](CC)([NH2+][C@H](C)Cc1cccc(C#N)c1)C(=O)OCC ZINC001171192553 1137299432 /nfs/dbraw/zinc/29/94/32/1137299432.db2.gz OIANMEXOJQOYHC-UZLBHIALSA-N 1 1 330.472 3.981 20 30 EHEDMO C#Cc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)cc1 ZINC001144576939 1137311968 /nfs/dbraw/zinc/31/19/68/1137311968.db2.gz WTNRHYADSPMMBZ-NRFANRHFSA-N 1 1 346.474 3.510 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)cc1 ZINC001144576939 1137311970 /nfs/dbraw/zinc/31/19/70/1137311970.db2.gz WTNRHYADSPMMBZ-NRFANRHFSA-N 1 1 346.474 3.510 20 30 EHEDMO N#Cc1cc(C(F)(F)F)cc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000865959450 1137322401 /nfs/dbraw/zinc/32/24/01/1137322401.db2.gz SEKAOOHLSODDMC-CYBMUJFWSA-N 1 1 338.377 3.506 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000846009067 1137325196 /nfs/dbraw/zinc/32/51/96/1137325196.db2.gz YHWLTAOOEITMFT-DAYGRLMNSA-N 1 1 344.455 3.672 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000846009067 1137325198 /nfs/dbraw/zinc/32/51/98/1137325198.db2.gz YHWLTAOOEITMFT-DAYGRLMNSA-N 1 1 344.455 3.672 20 30 EHEDMO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CC2(C#N)CCCC2)cn1 ZINC000846011335 1137325588 /nfs/dbraw/zinc/32/55/88/1137325588.db2.gz SFGIDHBQRNSXML-UHFFFAOYSA-N 1 1 330.432 3.602 20 30 EHEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000866335638 1137346640 /nfs/dbraw/zinc/34/66/40/1137346640.db2.gz DIQBUCOCDPQXQU-HLLBOEOZSA-N 1 1 327.472 3.567 20 30 EHEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2ccc(F)cc2C(F)(F)F)no1 ZINC000846773610 1137366606 /nfs/dbraw/zinc/36/66/06/1137366606.db2.gz OQPDYOQNPLRDDP-LBPRGKRZSA-N 1 1 342.296 3.978 20 30 EHEDMO C#C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000847026669 1137383384 /nfs/dbraw/zinc/38/33/84/1137383384.db2.gz GMFVYHMQZJFZHG-GFCCVEGCSA-N 1 1 335.329 3.601 20 30 EHEDMO C#C[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000847026669 1137383385 /nfs/dbraw/zinc/38/33/85/1137383385.db2.gz GMFVYHMQZJFZHG-GFCCVEGCSA-N 1 1 335.329 3.601 20 30 EHEDMO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)cc1 ZINC001148467812 1137425450 /nfs/dbraw/zinc/42/54/50/1137425450.db2.gz AMBZNGSRYSLXDM-IBGZPJMESA-N 1 1 342.483 3.636 20 30 EHEDMO C=CCOc1ccccc1[C@@H](C)Nc1ccc(-n2cc[nH+]c2C)nn1 ZINC001171372102 1137459804 /nfs/dbraw/zinc/45/98/04/1137459804.db2.gz DUECDRSAOYKIBC-CQSZACIVSA-N 1 1 335.411 3.709 20 30 EHEDMO C=CCOc1ccccc1[C@H](C)Nc1cncc(-n2cc[nH+]c2C)n1 ZINC001171373676 1137461175 /nfs/dbraw/zinc/46/11/75/1137461175.db2.gz UVZZKPSTVIUIJV-AWEZNQCLSA-N 1 1 335.411 3.709 20 30 EHEDMO CC(C)c1nccnc1N=NC1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000773077469 1137463459 /nfs/dbraw/zinc/46/34/59/1137463459.db2.gz GFVVAUSBYXVLQJ-MRXNPFEDSA-N 1 1 337.471 3.910 20 30 EHEDMO CC(C)c1nccnc1N=NC1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000773092146 1137464719 /nfs/dbraw/zinc/46/47/19/1137464719.db2.gz ZIPYWLKWYHBZQU-INIZCTEOSA-N 1 1 337.471 3.910 20 30 EHEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(I)cc2)C1 ZINC001171491053 1137491533 /nfs/dbraw/zinc/49/15/33/1137491533.db2.gz RWBSNAQLPSNANR-ZDUSSCGKSA-N 1 1 339.220 3.527 20 30 EHEDMO C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CCc2ccc(Cl)cc21 ZINC001171718781 1137505748 /nfs/dbraw/zinc/50/57/48/1137505748.db2.gz LCVYHCACIWIQOW-PBHICJAKSA-N 1 1 332.875 3.746 20 30 EHEDMO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001171791196 1137512576 /nfs/dbraw/zinc/51/25/76/1137512576.db2.gz CNQNBICERWLLEJ-DNVCBOLYSA-N 1 1 347.418 3.940 20 30 EHEDMO C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001171791196 1137512578 /nfs/dbraw/zinc/51/25/78/1137512578.db2.gz CNQNBICERWLLEJ-DNVCBOLYSA-N 1 1 347.418 3.940 20 30 EHEDMO CCCC[N@@H+](CCC#N)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171894574 1137517571 /nfs/dbraw/zinc/51/75/71/1137517571.db2.gz HOXHZJWPTTVBBT-IBGZPJMESA-N 1 1 327.472 3.697 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001172319111 1137546828 /nfs/dbraw/zinc/54/68/28/1137546828.db2.gz LIGWCQJARCMNFK-OALUTQOASA-N 1 1 333.479 3.868 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2ncc(C(F)(F)F)cc2C1 ZINC001172320529 1137547113 /nfs/dbraw/zinc/54/71/13/1137547113.db2.gz VNFDNRJCAOZADL-ZDUSSCGKSA-N 1 1 345.368 3.961 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCn2c(Br)nnc2C1 ZINC001172353724 1137553826 /nfs/dbraw/zinc/55/38/26/1137553826.db2.gz AXOUPPVTFRGLOG-CYBMUJFWSA-N 1 1 343.313 3.995 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCn2c(Br)nnc2C1 ZINC001172353724 1137553828 /nfs/dbraw/zinc/55/38/28/1137553828.db2.gz AXOUPPVTFRGLOG-CYBMUJFWSA-N 1 1 343.313 3.995 20 30 EHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(Cc2ccc(OC(F)(F)F)cc2)no1 ZINC000872178687 1137575436 /nfs/dbraw/zinc/57/54/36/1137575436.db2.gz QRPURHOKIJUCAT-NSHDSACASA-N 1 1 347.724 3.701 20 30 EHEDMO C=CCc1cc(C[NH2+]Cc2cccc(F)c2C#N)cc(OC)c1OC ZINC000873044625 1137588706 /nfs/dbraw/zinc/58/87/06/1137588706.db2.gz SRXBZHZUSWBPFM-UHFFFAOYSA-N 1 1 340.398 3.733 20 30 EHEDMO CC[N@@H+](Cc1cccc(CNC(=O)OC(C)(C)C)c1)C[C@@H](C)C#N ZINC000876617297 1137657230 /nfs/dbraw/zinc/65/72/30/1137657230.db2.gz JMQKKBVFXMACPT-HNNXBMFYSA-N 1 1 331.460 3.693 20 30 EHEDMO CC[N@H+](Cc1cccc(CNC(=O)OC(C)(C)C)c1)C[C@@H](C)C#N ZINC000876617297 1137657231 /nfs/dbraw/zinc/65/72/31/1137657231.db2.gz JMQKKBVFXMACPT-HNNXBMFYSA-N 1 1 331.460 3.693 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cc(C#N)cnc2Cl)C1 ZINC000876643209 1137658065 /nfs/dbraw/zinc/65/80/65/1137658065.db2.gz AGFRNYVIVKXPBW-HZPDHXFCSA-N 1 1 346.906 3.693 20 30 EHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc(C#N)cnc3Cl)C2)cc1 ZINC000876663326 1137658484 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EHEDMO Cn1c2ccc(F)cc2nc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000330154683 1024335829 /nfs/dbraw/zinc/33/58/29/1024335829.db2.gz NQNUQFODNKDADO-ZDUSSCGKSA-N 1 1 344.434 3.955 20 30 EHEDMO CC(C)[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000550558209 1024352436 /nfs/dbraw/zinc/35/24/36/1024352436.db2.gz DKKQPDJKJVVHHL-KRWDZBQOSA-N 1 1 325.374 3.804 20 30 EHEDMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000380641429 1024399248 /nfs/dbraw/zinc/39/92/48/1024399248.db2.gz TZSIOCSLPOVURE-KBXCAEBGSA-N 1 1 336.395 3.541 20 30 EHEDMO C[C@H](C#N)Oc1ccc(CN2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cc1 ZINC000895378082 1024427394 /nfs/dbraw/zinc/42/73/94/1024427394.db2.gz PNHPKKJIBGIDTH-MBOZVWFJSA-N 1 1 329.488 3.530 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)CN(C)C)cc1 ZINC000895378082 1024427403 /nfs/dbraw/zinc/42/74/03/1024427403.db2.gz PNHPKKJIBGIDTH-MBOZVWFJSA-N 1 1 329.488 3.530 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)CN(C)C)cc1 ZINC000895378082 1024427411 /nfs/dbraw/zinc/42/74/11/1024427411.db2.gz PNHPKKJIBGIDTH-MBOZVWFJSA-N 1 1 329.488 3.530 20 30 EHEDMO C[C@@H]([NH2+]Cc1nccn1CCc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000346140397 1024442443 /nfs/dbraw/zinc/44/24/43/1024442443.db2.gz PJDVUMHZYKZBII-MRXNPFEDSA-N 1 1 348.425 3.987 20 30 EHEDMO C=CCOc1ccc(C[N@H+](CCC(=O)NC(C)C)C(C)(C)C)cc1 ZINC000474171083 1024521014 /nfs/dbraw/zinc/52/10/14/1024521014.db2.gz DIIBZULUPKNDBX-UHFFFAOYSA-N 1 1 332.488 3.767 20 30 EHEDMO CC(C)[N@@H+](CCCCCO)Cc1ccc(Br)cc1C#N ZINC001141816613 1024600439 /nfs/dbraw/zinc/60/04/39/1024600439.db2.gz DRIYFHHJIVTULS-UHFFFAOYSA-N 1 1 339.277 3.694 20 30 EHEDMO C[N@H+](Cc1ccccc1)[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC000185222127 1024644456 /nfs/dbraw/zinc/64/44/56/1024644456.db2.gz YCUNXSGLRIHAQQ-IBGZPJMESA-N 1 1 325.481 3.620 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNCc1ccc(C#N)s1)C1CC1 ZINC000185222127 1024644462 /nfs/dbraw/zinc/64/44/62/1024644462.db2.gz YCUNXSGLRIHAQQ-IBGZPJMESA-N 1 1 325.481 3.620 20 30 EHEDMO COc1cc(C[NH2+]Cc2ccc(C#N)cc2F)cc(Cl)c1OC ZINC000237305951 1024649620 /nfs/dbraw/zinc/64/96/20/1024649620.db2.gz WWLHLAVKDZDSEW-UHFFFAOYSA-N 1 1 334.778 3.658 20 30 EHEDMO C=CCCC[C@@H]([NH2+]Cc1nc(Br)nn1C)c1ccccc1 ZINC000895637849 1024682874 /nfs/dbraw/zinc/68/28/74/1024682874.db2.gz PKEVTCSEJFESFU-CQSZACIVSA-N 1 1 349.276 3.765 20 30 EHEDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000507930924 1024779517 /nfs/dbraw/zinc/77/95/17/1024779517.db2.gz OCHCWTIMFCNHSR-OAHLLOKOSA-N 1 1 341.405 3.715 20 30 EHEDMO C=CCC[N@H+](Cc1ccccc1)Cc1ncc(Br)cn1 ZINC001141674592 1024909098 /nfs/dbraw/zinc/90/90/98/1024909098.db2.gz DLRLWHODFQZLAY-UHFFFAOYSA-N 1 1 332.245 3.817 20 30 EHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ncc(Br)cn1 ZINC001141674592 1024909103 /nfs/dbraw/zinc/90/91/03/1024909103.db2.gz DLRLWHODFQZLAY-UHFFFAOYSA-N 1 1 332.245 3.817 20 30 EHEDMO CC1(C)CCCc2cc(C#N)c(N3CCC(c4[nH]cc[nH+]4)CC3)nc21 ZINC000428102054 1024982398 /nfs/dbraw/zinc/98/23/98/1024982398.db2.gz KKARXLQOGIDZJI-UHFFFAOYSA-N 1 1 335.455 3.674 20 30 EHEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC001167517502 1024993873 /nfs/dbraw/zinc/99/38/73/1024993873.db2.gz QJWWDYLWSBWJRK-FQEVSTJZSA-N 1 1 335.451 3.758 20 30 EHEDMO C=CC[C@@H](CC)NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000281396775 1025000040 /nfs/dbraw/zinc/00/00/40/1025000040.db2.gz PJBXPAXWTYCSEA-RTBURBONSA-N 1 1 329.488 3.505 20 30 EHEDMO N#Cc1ccccc1NC1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000602902392 1033250685 /nfs/dbraw/zinc/25/06/85/1033250685.db2.gz XMGKKOJNIMMURQ-UHFFFAOYSA-N 1 1 326.831 3.683 20 30 EHEDMO N#Cc1ccc(C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)c(Cl)c1 ZINC000602902785 1033251456 /nfs/dbraw/zinc/25/14/56/1033251456.db2.gz OBHXILACBZRBDG-GOSISDBHSA-N 1 1 341.842 3.600 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000582020622 1025048557 /nfs/dbraw/zinc/04/85/57/1025048557.db2.gz VJIZYEVUCJGAIY-HSZRJFAPSA-N 1 1 348.490 3.985 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000582020622 1025048574 /nfs/dbraw/zinc/04/85/74/1025048574.db2.gz VJIZYEVUCJGAIY-HSZRJFAPSA-N 1 1 348.490 3.985 20 30 EHEDMO C#Cc1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000729552120 1025089898 /nfs/dbraw/zinc/08/98/98/1025089898.db2.gz CRGVAQBLPLWFKG-UHFFFAOYSA-N 1 1 347.462 3.796 20 30 EHEDMO C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000281490933 1025106485 /nfs/dbraw/zinc/10/64/85/1025106485.db2.gz QEHUMQCHLPOOIS-VQTJNVASSA-N 1 1 344.499 3.628 20 30 EHEDMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000185472893 1025157175 /nfs/dbraw/zinc/15/71/75/1025157175.db2.gz MEAPZTDAEJDUIA-CQSZACIVSA-N 1 1 329.444 3.638 20 30 EHEDMO COC(=O)[C@@H](CC[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1)c1ccccc1 ZINC000425443663 1025294789 /nfs/dbraw/zinc/29/47/89/1025294789.db2.gz KDGUGQNBCYDDAB-HKBOAZHASA-N 1 1 348.446 3.572 20 30 EHEDMO COC(=O)[C@@H](CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1)c1ccccc1 ZINC000425443663 1025294802 /nfs/dbraw/zinc/29/48/02/1025294802.db2.gz KDGUGQNBCYDDAB-HKBOAZHASA-N 1 1 348.446 3.572 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000338127551 1025332047 /nfs/dbraw/zinc/33/20/47/1025332047.db2.gz DELKBDOGQVUBJE-UHFFFAOYSA-N 1 1 327.815 3.834 20 30 EHEDMO C#CCCC1(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)N=N1 ZINC001168040687 1025335316 /nfs/dbraw/zinc/33/53/16/1025335316.db2.gz ODRQEMNJCYMIOP-OPVJXMOQSA-N 1 1 338.499 3.983 20 30 EHEDMO C#CCCC1(CC[NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)N=N1 ZINC001168040687 1025335332 /nfs/dbraw/zinc/33/53/32/1025335332.db2.gz ODRQEMNJCYMIOP-OPVJXMOQSA-N 1 1 338.499 3.983 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(C#N)cs1 ZINC000344745084 1025398694 /nfs/dbraw/zinc/39/86/94/1025398694.db2.gz VYASMTJREZJSAV-BEFAXECRSA-N 1 1 325.481 3.620 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(C#N)cs1 ZINC000344745084 1025398708 /nfs/dbraw/zinc/39/87/08/1025398708.db2.gz VYASMTJREZJSAV-BEFAXECRSA-N 1 1 325.481 3.620 20 30 EHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CCOc2ccc(C#N)cc2)C1 ZINC000439011160 1025404274 /nfs/dbraw/zinc/40/42/74/1025404274.db2.gz PKYIJXPBCIDNRC-OTNPHJDUSA-N 1 1 342.483 3.589 20 30 EHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2Cc2cc(C#N)ccc2F)C1 ZINC000439012961 1025412112 /nfs/dbraw/zinc/41/21/12/1025412112.db2.gz VRPPNENONBDYAY-FPWFTKFVSA-N 1 1 330.447 3.849 20 30 EHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(F)c(C#N)c2)C1 ZINC000439015231 1025440545 /nfs/dbraw/zinc/44/05/45/1025440545.db2.gz OMUAYCNJGWXOOE-JRJVTICQSA-N 1 1 330.447 3.849 20 30 EHEDMO C[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000321181144 1025456274 /nfs/dbraw/zinc/45/62/74/1025456274.db2.gz SRAGBRAZSUCFPM-CYBMUJFWSA-N 1 1 325.437 3.568 20 30 EHEDMO C[C@@H](c1cccc(NCc2ccc(CC#N)cc2)c1)[NH+]1CCOCC1 ZINC000342445408 1025544828 /nfs/dbraw/zinc/54/48/28/1025544828.db2.gz WSHPDWYTMYNHLV-KRWDZBQOSA-N 1 1 335.451 3.758 20 30 EHEDMO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)CC1 ZINC000329013682 1025569143 /nfs/dbraw/zinc/56/91/43/1025569143.db2.gz JDSFLAIXVGAPNK-HLLBOEOZSA-N 1 1 343.471 3.569 20 30 EHEDMO C[C@H]1CC[N@@H+](CC(=O)NC(=O)NCc2cccs2)CC12CCC2 ZINC000329140932 1025623370 /nfs/dbraw/zinc/62/33/70/1025623370.db2.gz JVZWCGZHGLCAEY-ZDUSSCGKSA-N 1 1 335.473 3.631 20 30 EHEDMO N#Cc1cc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)ccc1F ZINC000436365879 1025634347 /nfs/dbraw/zinc/63/43/47/1025634347.db2.gz UROXZVMRVNPSMQ-QGZVFWFLSA-N 1 1 344.434 3.616 20 30 EHEDMO COc1cc(C[N@@H+]2CC[C@H](F)C2)ccc1OCc1cccc(C#N)c1 ZINC000451187586 1025656420 /nfs/dbraw/zinc/65/64/20/1025656420.db2.gz CWQDULCKJAKJIA-SFHVURJKSA-N 1 1 340.398 3.690 20 30 EHEDMO COc1cc(C[N@H+]2CC[C@H](F)C2)ccc1OCc1cccc(C#N)c1 ZINC000451187586 1025656428 /nfs/dbraw/zinc/65/64/28/1025656428.db2.gz CWQDULCKJAKJIA-SFHVURJKSA-N 1 1 340.398 3.690 20 30 EHEDMO Cc1cc(C)cc(OC[C@H](O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425533349 1025661802 /nfs/dbraw/zinc/66/18/02/1025661802.db2.gz DMMGPUUZQWVWPV-YLJYHZDGSA-N 1 1 338.451 3.608 20 30 EHEDMO O=C(C[C@@H]1CCCC[C@H]1O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000329219779 1025673995 /nfs/dbraw/zinc/67/39/95/1025673995.db2.gz SSYWXTFKPWBHAL-SLFFLAALSA-N 1 1 344.499 3.939 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000425539933 1025674234 /nfs/dbraw/zinc/67/42/34/1025674234.db2.gz NDMYTIHJOTYEJP-IMFGXOCKSA-N 1 1 339.483 3.732 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000425539933 1025674244 /nfs/dbraw/zinc/67/42/44/1025674244.db2.gz NDMYTIHJOTYEJP-IMFGXOCKSA-N 1 1 339.483 3.732 20 30 EHEDMO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)o1 ZINC000329229673 1025678969 /nfs/dbraw/zinc/67/89/69/1025678969.db2.gz JLWGKKQFTKIKSV-KGLIPLIRSA-N 1 1 328.416 3.693 20 30 EHEDMO CCc1nnc([C@@H](C)[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)o1 ZINC000329229673 1025678978 /nfs/dbraw/zinc/67/89/78/1025678978.db2.gz JLWGKKQFTKIKSV-KGLIPLIRSA-N 1 1 328.416 3.693 20 30 EHEDMO CCc1nnc([C@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)o1 ZINC000329229674 1025679259 /nfs/dbraw/zinc/67/92/59/1025679259.db2.gz JLWGKKQFTKIKSV-UONOGXRCSA-N 1 1 328.416 3.693 20 30 EHEDMO CCc1nnc([C@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)o1 ZINC000329229674 1025679266 /nfs/dbraw/zinc/67/92/66/1025679266.db2.gz JLWGKKQFTKIKSV-UONOGXRCSA-N 1 1 328.416 3.693 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1C(=O)OC ZINC000505821814 1025726940 /nfs/dbraw/zinc/72/69/40/1025726940.db2.gz QVMXXWOFILEBRJ-UHFFFAOYSA-N 1 1 340.398 3.896 20 30 EHEDMO N#CCc1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000425552595 1025731948 /nfs/dbraw/zinc/73/19/48/1025731948.db2.gz QQHHZKPIPKVPIO-RTBURBONSA-N 1 1 326.827 3.714 20 30 EHEDMO COc1ccc(Cl)cc1C[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281946711 1025762460 /nfs/dbraw/zinc/76/24/60/1025762460.db2.gz JISZLXCAQWGXCK-UHFFFAOYSA-N 1 1 336.863 3.881 20 30 EHEDMO CC(C)[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000582315481 1025818211 /nfs/dbraw/zinc/81/82/11/1025818211.db2.gz SEFLPOCJBXZAAG-HXUWFJFHSA-N 1 1 326.415 3.716 20 30 EHEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000444166153 1025822919 /nfs/dbraw/zinc/82/29/19/1025822919.db2.gz JUFLZNWMQLUCSR-LIRRHRJNSA-N 1 1 337.398 3.719 20 30 EHEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000444166153 1025822941 /nfs/dbraw/zinc/82/29/41/1025822941.db2.gz JUFLZNWMQLUCSR-LIRRHRJNSA-N 1 1 337.398 3.719 20 30 EHEDMO CCO[C@@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000451541140 1026088763 /nfs/dbraw/zinc/08/87/63/1026088763.db2.gz LOCHGQGGWBGOTR-RHSMWYFYSA-N 1 1 341.373 3.684 20 30 EHEDMO C=CCC[N@@H+](C)Cc1c(F)ccc(I)c1F ZINC000475088242 1026148092 /nfs/dbraw/zinc/14/80/92/1026148092.db2.gz KLGHOWYVWMYJGI-UHFFFAOYSA-N 1 1 337.151 3.577 20 30 EHEDMO C=CCC[N@H+](C)Cc1c(F)ccc(I)c1F ZINC000475088242 1026148104 /nfs/dbraw/zinc/14/81/04/1026148104.db2.gz KLGHOWYVWMYJGI-UHFFFAOYSA-N 1 1 337.151 3.577 20 30 EHEDMO CCC[N@H+]1CCC[C@H]1CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352891466 1026199480 /nfs/dbraw/zinc/19/94/80/1026199480.db2.gz JLWQSQCTIRRIIX-HNNXBMFYSA-N 1 1 325.378 3.541 20 30 EHEDMO CCCN1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352891466 1026199486 /nfs/dbraw/zinc/19/94/86/1026199486.db2.gz JLWQSQCTIRRIIX-HNNXBMFYSA-N 1 1 325.378 3.541 20 30 EHEDMO FC1(F)[C@H]2C[N@H+](Cc3ccco3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897052397 1026278391 /nfs/dbraw/zinc/27/83/91/1026278391.db2.gz KUBHUSJDBJQKDT-DTORHVGOSA-N 1 1 349.221 3.882 20 30 EHEDMO FC1(F)[C@H]2C[N@@H+](Cc3ccco3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897052397 1026278403 /nfs/dbraw/zinc/27/84/03/1026278403.db2.gz KUBHUSJDBJQKDT-DTORHVGOSA-N 1 1 349.221 3.882 20 30 EHEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511139711 1026419201 /nfs/dbraw/zinc/41/92/01/1026419201.db2.gz RFMKIMQIUYNNRV-UKRRQHHQSA-N 1 1 340.389 3.576 20 30 EHEDMO C[C@H]([NH2+]C1(CN[C@H]2CCC[C@@H](C#N)C2)CCOCC1)c1ccccc1 ZINC000248831110 1026527161 /nfs/dbraw/zinc/52/71/61/1026527161.db2.gz MMMKEFFMLKSFTO-NSHGMRRFSA-N 1 1 341.499 3.558 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC000897247585 1026566324 /nfs/dbraw/zinc/56/63/24/1026566324.db2.gz BGOXEHFXDDUCKM-QFBILLFUSA-N 1 1 335.492 3.792 20 30 EHEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCCCC[C@H]2c2ccco2)cc1 ZINC000121275004 1026587309 /nfs/dbraw/zinc/58/73/09/1026587309.db2.gz JTTRZUTVDOQZAS-HKUYNNGSSA-N 1 1 340.423 3.508 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)cc1 ZINC000897269858 1026621952 /nfs/dbraw/zinc/62/19/52/1026621952.db2.gz QYFOUKVTBVIVNK-APWZRJJASA-N 1 1 328.456 3.616 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c(F)c1 ZINC000531210844 1026690007 /nfs/dbraw/zinc/69/00/07/1026690007.db2.gz ZWOUAWUQNOXBJC-HXUWFJFHSA-N 1 1 338.426 3.921 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c(F)c1 ZINC000531210844 1026690008 /nfs/dbraw/zinc/69/00/08/1026690008.db2.gz ZWOUAWUQNOXBJC-HXUWFJFHSA-N 1 1 338.426 3.921 20 30 EHEDMO CC[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC[C@@H]1c1ccccc1 ZINC000472237456 1026850100 /nfs/dbraw/zinc/85/01/00/1026850100.db2.gz DRDCGACUKMOQCF-SLYNCCJLSA-N 1 1 341.499 3.557 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@H](CNCc1ccc(C#N)cc1F)C1CC1 ZINC000479875639 1026870297 /nfs/dbraw/zinc/87/02/97/1026870297.db2.gz RKIJKBDHKXNRLM-OAQYLSRUSA-N 1 1 337.442 3.698 20 30 EHEDMO CN(Cc1ccccc1)[C@H](C[NH2+]Cc1ccc(C#N)cc1F)C1CC1 ZINC000479875639 1026870303 /nfs/dbraw/zinc/87/03/03/1026870303.db2.gz RKIJKBDHKXNRLM-OAQYLSRUSA-N 1 1 337.442 3.698 20 30 EHEDMO CC[C@@H](C#N)Oc1cc(CNc2nc(C)[nH+]c(C)c2C)ccc1OC ZINC000301708579 1026910879 /nfs/dbraw/zinc/91/08/79/1026910879.db2.gz WQTJRZUVBHNDTD-INIZCTEOSA-N 1 1 340.427 3.704 20 30 EHEDMO C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518711 1026947965 /nfs/dbraw/zinc/94/79/65/1026947965.db2.gz YUAYENSCVUGXPC-OAHLLOKOSA-N 1 1 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ZINC000026328224 1027755471 /nfs/dbraw/zinc/75/54/71/1027755471.db2.gz QLRSSYVAEDRICF-CQSZACIVSA-N 1 1 341.842 3.979 20 30 EHEDMO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026328224 1027755481 /nfs/dbraw/zinc/75/54/81/1027755481.db2.gz QLRSSYVAEDRICF-CQSZACIVSA-N 1 1 341.842 3.979 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[N@H+](C)C[C@H](C)c2ccccc2)c(C#N)c1C ZINC000533401711 1027778530 /nfs/dbraw/zinc/77/85/30/1027778530.db2.gz OPBUIURIEKQFBL-ZFWWWQNUSA-N 1 1 339.439 3.831 20 30 EHEDMO N#Cc1ccc(N2CCN(c3cc[nH+]cc3Cl)CC2)c(Cl)c1 ZINC000503563627 1027877971 /nfs/dbraw/zinc/87/79/71/1027877971.db2.gz VIEDWVZRMNQHFQ-UHFFFAOYSA-N 1 1 333.222 3.587 20 30 EHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000111715142 1027932639 /nfs/dbraw/zinc/93/26/39/1027932639.db2.gz MDUVUBLZXGPHSH-MRXNPFEDSA-N 1 1 342.487 3.775 20 30 EHEDMO N#CC(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)(c1ccccc1)c1ccccc1 ZINC000444637709 1028090889 /nfs/dbraw/zinc/09/08/89/1028090889.db2.gz 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N#CC(CC[N@@H+]1CCC[C@@H]1CCO)(c1ccccc1)c1ccccc1 ZINC000444688201 1028160530 /nfs/dbraw/zinc/16/05/30/1028160530.db2.gz ISZBHZYQKGOMFB-OAQYLSRUSA-N 1 1 334.463 3.733 20 30 EHEDMO COc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000353624813 1028203499 /nfs/dbraw/zinc/20/34/99/1028203499.db2.gz DWTBNHBKYHGHQW-UWJYYQICSA-N 1 1 349.478 3.710 20 30 EHEDMO COc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000353624813 1028203515 /nfs/dbraw/zinc/20/35/15/1028203515.db2.gz DWTBNHBKYHGHQW-UWJYYQICSA-N 1 1 349.478 3.710 20 30 EHEDMO C=CCC[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000246343891 1028260885 /nfs/dbraw/zinc/26/08/85/1028260885.db2.gz MCGTUEKHWFBHJE-CEXWTWQISA-N 1 1 327.472 3.572 20 30 EHEDMO C=CCC[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000246343910 1028261173 /nfs/dbraw/zinc/26/11/73/1028261173.db2.gz MCGTUEKHWFBHJE-QYZOEREBSA-N 1 1 327.472 3.572 20 30 EHEDMO COc1ccc(C[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)cc1C#N ZINC000440546634 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CCC[N@@H+](CC)Cc1ccc(C(=O)NC2(C#N)CCCCC2)cc1 ZINC000504560266 1028737330 /nfs/dbraw/zinc/73/73/30/1028737330.db2.gz GFPVQBDOLPCEEI-UHFFFAOYSA-N 1 1 327.472 3.875 20 30 EHEDMO C[N@H+]1CCC[C@@H](CNC(=O)C2(C#N)CCCCC2)[C@H]1c1cccs1 ZINC000247340732 1028779922 /nfs/dbraw/zinc/77/99/22/1028779922.db2.gz JFDIGFTVYSQOHQ-RDJZCZTQSA-N 1 1 345.512 3.721 20 30 EHEDMO C=CCn1cc(C[NH2+]Cc2sc3c(cccc3Cl)c2C)nn1 ZINC000424175521 1028849399 /nfs/dbraw/zinc/84/93/99/1028849399.db2.gz UTOMQUJGWVJSOY-UHFFFAOYSA-N 1 1 332.860 3.930 20 30 EHEDMO COc1cc(C[NH2+]Cc2cccnc2OC2CCCC2)ccc1C#N ZINC000440811719 1028944955 /nfs/dbraw/zinc/94/49/55/1028944955.db2.gz YVURVQWZQLJTKJ-UHFFFAOYSA-N 1 1 337.423 3.573 20 30 EHEDMO C=CC(C)(C)CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000454487585 1028978560 /nfs/dbraw/zinc/97/85/60/1028978560.db2.gz PJGHMBBFVVPCSP-YQQQUEKLSA-N 1 1 341.499 3.693 20 30 EHEDMO N#Cc1ccc(C[N@H+](Cc2cncn2Cc2ccccc2)C2CC2)cc1 ZINC000445759790 1029111605 /nfs/dbraw/zinc/11/16/05/1029111605.db2.gz NHDHGDVQKOMYEN-UHFFFAOYSA-N 1 1 342.446 3.968 20 30 EHEDMO N#Cc1ccc(C[N@@H+](Cc2cncn2Cc2ccccc2)C2CC2)cc1 ZINC000445759790 1029111608 /nfs/dbraw/zinc/11/16/08/1029111608.db2.gz NHDHGDVQKOMYEN-UHFFFAOYSA-N 1 1 342.446 3.968 20 30 EHEDMO C=C1CC[NH+](CC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000532961723 1029130395 /nfs/dbraw/zinc/13/03/95/1029130395.db2.gz XKQPIEYBISNBIX-HXUWFJFHSA-N 1 1 342.483 3.791 20 30 EHEDMO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)cc1C#N ZINC000533079866 1029285189 /nfs/dbraw/zinc/28/51/89/1029285189.db2.gz FGVYJAMCZWVEMA-IIBYNOLFSA-N 1 1 336.435 3.837 20 30 EHEDMO COc1ccc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)cc1C#N ZINC000533079866 1029285206 /nfs/dbraw/zinc/28/52/06/1029285206.db2.gz FGVYJAMCZWVEMA-IIBYNOLFSA-N 1 1 336.435 3.837 20 30 EHEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]2c2cccn2C)c1C ZINC000078587664 1029395110 /nfs/dbraw/zinc/39/51/10/1029395110.db2.gz AGYNRDOBRLOXSR-IBGZPJMESA-N 1 1 325.456 3.649 20 30 EHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)c1C ZINC000078587664 1029395125 /nfs/dbraw/zinc/39/51/25/1029395125.db2.gz AGYNRDOBRLOXSR-IBGZPJMESA-N 1 1 325.456 3.649 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2Cc2ccccc2)c1C#N ZINC000535978141 1029451943 /nfs/dbraw/zinc/45/19/43/1029451943.db2.gz MXQBSDXBGPPCEQ-SFHVURJKSA-N 1 1 334.419 3.552 20 30 EHEDMO CC(C)[N@@H+](CC(=O)N(C)CC1CCCCC1)Cc1ccc(C#N)cc1 ZINC000524753451 1029471045 /nfs/dbraw/zinc/47/10/45/1029471045.db2.gz FQNULFNGPKHOID-UHFFFAOYSA-N 1 1 341.499 3.807 20 30 EHEDMO C[C@H]1CC[N@H+](CCNCc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000524771163 1029499186 /nfs/dbraw/zinc/49/91/86/1029499186.db2.gz MRODYXYICJTJSB-SFHVURJKSA-N 1 1 349.478 3.569 20 30 EHEDMO C[C@H]1CC[N@@H+](CCNCc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000524771163 1029499195 /nfs/dbraw/zinc/49/91/95/1029499195.db2.gz MRODYXYICJTJSB-SFHVURJKSA-N 1 1 349.478 3.569 20 30 EHEDMO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)cn2)c2ccccc2)cc1 ZINC000615092294 1029562780 /nfs/dbraw/zinc/56/27/80/1029562780.db2.gz XZWPGQHGCSNUAL-OAQYLSRUSA-N 1 1 329.403 3.841 20 30 EHEDMO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)Cc2cc(C)[nH]n2)cc1OC ZINC000623453667 1029674059 /nfs/dbraw/zinc/67/40/59/1029674059.db2.gz ZISMCWAIKPOFNB-GFCCVEGCSA-N 1 1 349.862 3.666 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000248343188 1029695192 /nfs/dbraw/zinc/69/51/92/1029695192.db2.gz KAGBPCJFKGVYAY-MJGOQNOKSA-N 1 1 347.462 3.761 20 30 EHEDMO C#CC[NH+]1CCC(c2nc(CSc3cc(C)ccc3C)no2)CC1 ZINC000278215168 1029696034 /nfs/dbraw/zinc/69/60/34/1029696034.db2.gz WOTBNIVUVYDRFK-UHFFFAOYSA-N 1 1 341.480 3.791 20 30 EHEDMO C=CC[C@@H]1[N@H+](Cc2cnc(N3CCOCC3)s2)CCCC1(C)C ZINC000446830096 1029812034 /nfs/dbraw/zinc/81/20/34/1029812034.db2.gz OKDARBGNFQLOCT-INIZCTEOSA-N 1 1 335.517 3.546 20 30 EHEDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455727272 1029863937 /nfs/dbraw/zinc/86/39/37/1029863937.db2.gz GBYCFFQIKHKIJI-CYBMUJFWSA-N 1 1 336.867 3.648 20 30 EHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CCc1ccc(C#N)cc1 ZINC000343247499 1029891048 /nfs/dbraw/zinc/89/10/48/1029891048.db2.gz RWSDHPLMYFTMAL-UHFFFAOYSA-N 1 1 349.478 3.647 20 30 EHEDMO CC[C@@H](C[N@@H+](CC)CC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000481734499 1029893544 /nfs/dbraw/zinc/89/35/44/1029893544.db2.gz KTYWGLGGOCVCMO-SFHVURJKSA-N 1 1 341.499 3.845 20 30 EHEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCCC[C@H]1O ZINC000245544031 1030142364 /nfs/dbraw/zinc/14/23/64/1030142364.db2.gz LAHSEIFBQGFTGE-NVXWUHKLSA-N 1 1 325.374 3.540 20 30 EHEDMO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453368651 1030182201 /nfs/dbraw/zinc/18/22/01/1030182201.db2.gz UTYQHSFZBRNBIM-XNTOXWQXSA-N 1 1 326.484 3.505 20 30 EHEDMO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000453368651 1030182212 /nfs/dbraw/zinc/18/22/12/1030182212.db2.gz UTYQHSFZBRNBIM-XNTOXWQXSA-N 1 1 326.484 3.505 20 30 EHEDMO C=C(C)COc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)ccc1OC ZINC000245734852 1030236348 /nfs/dbraw/zinc/23/63/48/1030236348.db2.gz KNISSAKXGNUHOB-HKUYNNGSSA-N 1 1 346.515 3.812 20 30 EHEDMO C=C(C)COc1cc(CN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)ccc1OC ZINC000245734852 1030236356 /nfs/dbraw/zinc/23/63/56/1030236356.db2.gz KNISSAKXGNUHOB-HKUYNNGSSA-N 1 1 346.515 3.812 20 30 EHEDMO C=C(C)COc1cc(CN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)ccc1OC ZINC000245734852 1030236369 /nfs/dbraw/zinc/23/63/69/1030236369.db2.gz KNISSAKXGNUHOB-HKUYNNGSSA-N 1 1 346.515 3.812 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+](C)[C@H]2CCN(CC)C[C@@H]2C)ccc1OC ZINC000245734852 1030236375 /nfs/dbraw/zinc/23/63/75/1030236375.db2.gz KNISSAKXGNUHOB-HKUYNNGSSA-N 1 1 346.515 3.812 20 30 EHEDMO C=C(C)COc1cc(C[N@H+](C)[C@H]2CCN(CC)C[C@@H]2C)ccc1OC ZINC000245734852 1030236380 /nfs/dbraw/zinc/23/63/80/1030236380.db2.gz KNISSAKXGNUHOB-HKUYNNGSSA-N 1 1 346.515 3.812 20 30 EHEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC[C@@H]3CCCC[C@@H]31)CCC2 ZINC000159590851 1030277719 /nfs/dbraw/zinc/27/77/19/1030277719.db2.gz GCZHIQXRTZYDOL-BBRMVZONSA-N 1 1 343.496 3.702 20 30 EHEDMO CC[N@@H+]1CCO[C@H](CNc2ccc(C#N)cc2F)[C@H]1c1ccccc1 ZINC000343323627 1030281051 /nfs/dbraw/zinc/28/10/51/1030281051.db2.gz USLHOYDGPAKUID-WOJBJXKFSA-N 1 1 339.414 3.571 20 30 EHEDMO CC[N@H+]1CCO[C@H](CNc2ccc(C#N)cc2F)[C@H]1c1ccccc1 ZINC000343323627 1030281065 /nfs/dbraw/zinc/28/10/65/1030281065.db2.gz USLHOYDGPAKUID-WOJBJXKFSA-N 1 1 339.414 3.571 20 30 EHEDMO CC[C@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1nnc2n1CCCCC2 ZINC000329290647 1030302843 /nfs/dbraw/zinc/30/28/43/1030302843.db2.gz QNXJRXHKUIALQF-HOTGVXAUSA-N 1 1 347.507 3.677 20 30 EHEDMO C[NH+](C)CC(C)(C)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000453599101 1030357748 /nfs/dbraw/zinc/35/77/48/1030357748.db2.gz PWHZISGDLNOXDG-UHFFFAOYSA-N 1 1 337.467 3.567 20 30 EHEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1cccnc1)Cc1ccc(OC)cc1 ZINC000092217542 1030407114 /nfs/dbraw/zinc/40/71/14/1030407114.db2.gz SDVICMQMAFZGBG-UHFFFAOYSA-N 1 1 334.423 3.669 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000092217559 1030407727 /nfs/dbraw/zinc/40/77/27/1030407727.db2.gz INZQAZRZRUJPAV-QHCPKHFHSA-N 1 1 329.465 3.621 20 30 EHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000092217559 1030407736 /nfs/dbraw/zinc/40/77/36/1030407736.db2.gz INZQAZRZRUJPAV-QHCPKHFHSA-N 1 1 329.465 3.621 20 30 EHEDMO Cc1nc(COc2ccc(C[N@@H+](CCC#N)CCC(C)C)cc2)no1 ZINC000093100924 1030562934 /nfs/dbraw/zinc/56/29/34/1030562934.db2.gz GMVLPRMPBZXGJZ-UHFFFAOYSA-N 1 1 342.443 3.719 20 30 EHEDMO Cc1nc(COc2ccc(C[N@H+](CCC#N)CCC(C)C)cc2)no1 ZINC000093100924 1030562948 /nfs/dbraw/zinc/56/29/48/1030562948.db2.gz GMVLPRMPBZXGJZ-UHFFFAOYSA-N 1 1 342.443 3.719 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000093638074 1030642982 /nfs/dbraw/zinc/64/29/82/1030642982.db2.gz LHVYWUPOOIKXSM-HTAPYJJXSA-N 1 1 348.446 3.651 20 30 EHEDMO C=CCc1cc(CN2CC[C@@H]3CC[C@H](C2)[N@H+]3C(C)C)cc(OC)c1O ZINC000093615091 1030644796 /nfs/dbraw/zinc/64/47/96/1030644796.db2.gz SPKDRNLSMDEMRI-RBUKOAKNSA-N 1 1 344.499 3.576 20 30 EHEDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093863915 1030682789 /nfs/dbraw/zinc/68/27/89/1030682789.db2.gz ZIALNLXWYFAQOV-LJQANCHMSA-N 1 1 338.455 3.612 20 30 EHEDMO C=C(C)COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OC ZINC000246764596 1030696029 /nfs/dbraw/zinc/69/60/29/1030696029.db2.gz PREDEQYLBRPGRM-RBUKOAKNSA-N 1 1 344.499 3.566 20 30 EHEDMO C=CCNC(=O)C[N@@H+](C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000482995018 1030883919 /nfs/dbraw/zinc/88/39/19/1030883919.db2.gz YVKRJZUAJQIVNU-IBGZPJMESA-N 1 1 346.833 3.803 20 30 EHEDMO C=CCNC(=O)C[N@H+](C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000482995018 1030883937 /nfs/dbraw/zinc/88/39/37/1030883937.db2.gz YVKRJZUAJQIVNU-IBGZPJMESA-N 1 1 346.833 3.803 20 30 EHEDMO C[C@@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000527377400 1030888940 /nfs/dbraw/zinc/88/89/40/1030888940.db2.gz IKLLVRHPOKPZSD-KRWDZBQOSA-N 1 1 347.462 3.909 20 30 EHEDMO COc1ccc(OC)c(C[N@H+](Cc2ccc(F)c(C#N)c2)C2CC2)c1 ZINC000160776308 1030990598 /nfs/dbraw/zinc/99/05/98/1030990598.db2.gz GGTMCWWPOSVDKH-UHFFFAOYSA-N 1 1 340.398 3.879 20 30 EHEDMO COc1ccc(OC)c(C[N@@H+](Cc2ccc(F)c(C#N)c2)C2CC2)c1 ZINC000160776308 1030990608 /nfs/dbraw/zinc/99/06/08/1030990608.db2.gz GGTMCWWPOSVDKH-UHFFFAOYSA-N 1 1 340.398 3.879 20 30 EHEDMO C=CCCC1(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000476855567 1031037092 /nfs/dbraw/zinc/03/70/92/1031037092.db2.gz XPVVOWOKHHPHMC-HXUWFJFHSA-N 1 1 326.484 3.904 20 30 EHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116404677 1031153691 /nfs/dbraw/zinc/15/36/91/1031153691.db2.gz AJMZXCVSCDOPBZ-QZTJIDSGSA-N 1 1 327.424 3.585 20 30 EHEDMO Cc1ccnc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1C#N ZINC000343510817 1031187787 /nfs/dbraw/zinc/18/77/87/1031187787.db2.gz LPKWGXXZEHPXSN-IAGOWNOFSA-N 1 1 326.831 3.772 20 30 EHEDMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000161043959 1031252887 /nfs/dbraw/zinc/25/28/87/1031252887.db2.gz FOWRXQVBPMPCKZ-KZULUSFZSA-N 1 1 343.377 3.904 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000174832864 1031284052 /nfs/dbraw/zinc/28/40/52/1031284052.db2.gz KQVISHKQABJBGL-UHFFFAOYSA-N 1 1 347.890 3.818 20 30 EHEDMO C=C(C)[C@@H](NC(=O)NCC[N@H+](CC)CCC)c1ccc(F)c(F)c1 ZINC000477216088 1031341926 /nfs/dbraw/zinc/34/19/26/1031341926.db2.gz CCERBEYEFJYACO-QGZVFWFLSA-N 1 1 339.430 3.613 20 30 EHEDMO CCC[N@@H+](CC)CCNC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000175854866 1031357298 /nfs/dbraw/zinc/35/72/98/1031357298.db2.gz UDNRRPZCHOZCCT-HNNXBMFYSA-N 1 1 348.516 3.934 20 30 EHEDMO C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)C(=O)Nc1cccc(C#N)c1 ZINC000032801009 1031375998 /nfs/dbraw/zinc/37/59/98/1031375998.db2.gz MMKHCPJNGVAEEM-STQMWFEESA-N 1 1 327.815 3.889 20 30 EHEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000477486014 1031589964 /nfs/dbraw/zinc/58/99/64/1031589964.db2.gz ANHLAOWGJKPFJT-SFHVURJKSA-N 1 1 336.391 3.503 20 30 EHEDMO C=CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC1CCCCC1 ZINC000484489244 1031611582 /nfs/dbraw/zinc/61/15/82/1031611582.db2.gz NECNXGCJRCHTRK-UHFFFAOYSA-N 1 1 345.443 3.910 20 30 EHEDMO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CC[C@@H](C#N)C1 ZINC000278634447 1031746416 /nfs/dbraw/zinc/74/64/16/1031746416.db2.gz OKVXNXVIKZJIFC-NEPJUHHUSA-N 1 1 340.254 3.946 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CC[C@@H](C#N)C1 ZINC000278634447 1031746422 /nfs/dbraw/zinc/74/64/22/1031746422.db2.gz OKVXNXVIKZJIFC-NEPJUHHUSA-N 1 1 340.254 3.946 20 30 EHEDMO CC[C@H](C)C[N@@H+](CC)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000343681443 1031907418 /nfs/dbraw/zinc/90/74/18/1031907418.db2.gz GVYDCKUKJOZGRJ-DLBZAZTESA-N 1 1 345.487 3.698 20 30 EHEDMO CC(C)(C)OC(=O)CCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000343716807 1032051676 /nfs/dbraw/zinc/05/16/76/1032051676.db2.gz BTXCUHDMDVOMPE-UHFFFAOYSA-N 1 1 326.440 3.769 20 30 EHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000598594314 1033316649 /nfs/dbraw/zinc/31/66/49/1033316649.db2.gz HGGJTQHARLAGNN-GJZGRUSLSA-N 1 1 347.528 3.502 20 30 EHEDMO N#CC1(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCCCC1 ZINC000139923982 1033322375 /nfs/dbraw/zinc/32/23/75/1033322375.db2.gz HGMKUQDJPIIKJF-MRXNPFEDSA-N 1 1 345.512 3.550 20 30 EHEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000592755527 1033374224 /nfs/dbraw/zinc/37/42/24/1033374224.db2.gz TVONZTCOWNCKBK-MRXNPFEDSA-N 1 1 338.455 3.705 20 30 EHEDMO C=CC[N@H+](CCOc1cccc(C(=O)OC)c1)Cc1cccs1 ZINC000063482967 1033391831 /nfs/dbraw/zinc/39/18/31/1033391831.db2.gz HSPXGNLTFOZEMI-UHFFFAOYSA-N 1 1 331.437 3.602 20 30 EHEDMO CCC[N@H+](CC(=O)N1CCCc2ccccc21)Cc1ccc(C#N)cc1 ZINC000061001648 1033412147 /nfs/dbraw/zinc/41/21/47/1033412147.db2.gz DLVFGOVORWHSOS-UHFFFAOYSA-N 1 1 347.462 3.750 20 30 EHEDMO CCC[N@@H+](CC(=O)N1CCCc2ccccc21)Cc1ccc(C#N)cc1 ZINC000061001648 1033412154 /nfs/dbraw/zinc/41/21/54/1033412154.db2.gz DLVFGOVORWHSOS-UHFFFAOYSA-N 1 1 347.462 3.750 20 30 EHEDMO C[C@@H]([NH2+]C1(CNC[C@H](O)CC(C)(C)C#N)CCCC1)c1ccccc1 ZINC000598720286 1033414224 /nfs/dbraw/zinc/41/42/24/1033414224.db2.gz NZTQTDHCJVTOMD-IEBWSBKVSA-N 1 1 343.515 3.540 20 30 EHEDMO CN1Cc2ccccc2[C@@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1=O ZINC000598942796 1033584131 /nfs/dbraw/zinc/58/41/31/1033584131.db2.gz NVIOAZLSYBIJSK-NHCUHLMSSA-N 1 1 345.446 3.629 20 30 EHEDMO CN1C[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@H](c2ccccc2)C1 ZINC000594952154 1033596405 /nfs/dbraw/zinc/59/64/05/1033596405.db2.gz WZYBFKAGRGNOTC-IRLDBZIGSA-N 1 1 345.490 3.677 20 30 EHEDMO Cn1cc(C[NH2+]CC2(C#N)CCCCC2)c(-c2ccc(F)cc2)n1 ZINC000594980926 1033615613 /nfs/dbraw/zinc/61/56/13/1033615613.db2.gz DCJMBSLSKDFQTE-UHFFFAOYSA-N 1 1 326.419 3.790 20 30 EHEDMO Cn1cc[nH+]c1C[C@H](Nc1ccc(Cl)c(C#N)n1)c1ccccc1 ZINC000078558844 1033705161 /nfs/dbraw/zinc/70/51/61/1033705161.db2.gz QIDUAVMMFBNUBI-HNNXBMFYSA-N 1 1 337.814 3.736 20 30 EHEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000476397788 1033750629 /nfs/dbraw/zinc/75/06/29/1033750629.db2.gz RJGSPOCTFTYYNU-LJQANCHMSA-N 1 1 341.499 3.728 20 30 EHEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC000594245534 1033829234 /nfs/dbraw/zinc/82/92/34/1033829234.db2.gz GGFXTNTXDYOXHN-QGZVFWFLSA-N 1 1 349.478 3.505 20 30 EHEDMO Cc1cc(C)c(NC(=O)CCC[N@H+]2CCC[C@H](CC#N)C2)c(C)c1 ZINC000595620660 1033903142 /nfs/dbraw/zinc/90/31/42/1033903142.db2.gz OINLZKYKTCWKIE-GOSISDBHSA-N 1 1 327.472 3.956 20 30 EHEDMO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595610366 1033921330 /nfs/dbraw/zinc/92/13/30/1033921330.db2.gz XBYQTDUIYPOQRE-MJGOQNOKSA-N 1 1 344.499 3.658 20 30 EHEDMO C=CC[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000116973713 1033922716 /nfs/dbraw/zinc/92/27/16/1033922716.db2.gz VADSUWOYGUXNJI-HNNXBMFYSA-N 1 1 335.879 3.522 20 30 EHEDMO C=CC[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000116973713 1033922724 /nfs/dbraw/zinc/92/27/24/1033922724.db2.gz VADSUWOYGUXNJI-HNNXBMFYSA-N 1 1 335.879 3.522 20 30 EHEDMO C=CC[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000116973715 1033923669 /nfs/dbraw/zinc/92/36/69/1033923669.db2.gz VADSUWOYGUXNJI-OAHLLOKOSA-N 1 1 335.879 3.522 20 30 EHEDMO C=CC[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000116973715 1033923683 /nfs/dbraw/zinc/92/36/83/1033923683.db2.gz VADSUWOYGUXNJI-OAHLLOKOSA-N 1 1 335.879 3.522 20 30 EHEDMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611737 1033923582 /nfs/dbraw/zinc/92/35/82/1033923582.db2.gz NPRITEUXSXXPKR-HZPDHXFCSA-N 1 1 327.472 3.764 20 30 EHEDMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611737 1033923605 /nfs/dbraw/zinc/92/36/05/1033923605.db2.gz NPRITEUXSXXPKR-HZPDHXFCSA-N 1 1 327.472 3.764 20 30 EHEDMO N#CC[C@@H]1CCC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000595611550 1033923822 /nfs/dbraw/zinc/92/38/22/1033923822.db2.gz KXTHXBLCHMBIOZ-SFHVURJKSA-N 1 1 339.483 3.978 20 30 EHEDMO N#CC[C@@H]1CCC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000595611550 1033923829 /nfs/dbraw/zinc/92/38/29/1033923829.db2.gz KXTHXBLCHMBIOZ-SFHVURJKSA-N 1 1 339.483 3.978 20 30 EHEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@@H]2CCCC[C@H]12 ZINC000603846831 1033970379 /nfs/dbraw/zinc/97/03/79/1033970379.db2.gz CTLRDHFHAVUPNJ-KZNAEPCWSA-N 1 1 331.504 3.572 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c(Cl)c1 ZINC000595746521 1033980515 /nfs/dbraw/zinc/98/05/15/1033980515.db2.gz AWVGRJASEBNZOW-RBUKOAKNSA-N 1 1 340.854 3.810 20 30 EHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](CCF)C1 ZINC000595756691 1033985538 /nfs/dbraw/zinc/98/55/38/1033985538.db2.gz VTZZDQROVSCBNW-OLZOCXBDSA-N 1 1 337.826 3.610 20 30 EHEDMO CC12CC(C1)C[N@H+]2CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000595916399 1034016237 /nfs/dbraw/zinc/01/62/37/1034016237.db2.gz RXXAFTJWHQSYQX-UHFFFAOYSA-N 1 1 343.496 3.702 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)C[C@H]1CCc2ccccc21 ZINC000595881748 1034017790 /nfs/dbraw/zinc/01/77/90/1034017790.db2.gz VOQDQMZMAQOBGX-MRXNPFEDSA-N 1 1 339.464 3.610 20 30 EHEDMO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@H]1CCc2ccccc21 ZINC000595881575 1034018196 /nfs/dbraw/zinc/01/81/96/1034018196.db2.gz UGLMBROFHSIFPU-GOSISDBHSA-N 1 1 344.418 3.770 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)C[C@@H]1CCc2ccccc21 ZINC000595881747 1034018280 /nfs/dbraw/zinc/01/82/80/1034018280.db2.gz VOQDQMZMAQOBGX-INIZCTEOSA-N 1 1 339.464 3.610 20 30 EHEDMO CC(C)(C#N)c1ccc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000596059659 1034055989 /nfs/dbraw/zinc/05/59/89/1034055989.db2.gz UFOQUVAXQRGHFG-LJQANCHMSA-N 1 1 325.500 3.699 20 30 EHEDMO CC(C)(C#N)c1ccc(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000596059659 1034056008 /nfs/dbraw/zinc/05/60/08/1034056008.db2.gz UFOQUVAXQRGHFG-LJQANCHMSA-N 1 1 325.500 3.699 20 30 EHEDMO N#Cc1nc(N2CCC[N@@H+](CC3CCCCC3)CC2)sc1Cl ZINC000596083072 1034074602 /nfs/dbraw/zinc/07/46/02/1034074602.db2.gz BMFZWXAPFIQGHH-UHFFFAOYSA-N 1 1 338.908 3.761 20 30 EHEDMO CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000599675039 1034080397 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3.999 20 30 EHEDMO CCOc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000596648696 1034347003 /nfs/dbraw/zinc/34/70/03/1034347003.db2.gz DJNDZDUAMKDUAV-SSKFGXFMSA-N 1 1 349.478 3.753 20 30 EHEDMO CC[N@H+](Cc1cc(C(F)(F)F)nn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000596983705 1034482198 /nfs/dbraw/zinc/48/21/98/1034482198.db2.gz FKXFFZAZWIKWRC-GFCCVEGCSA-N 1 1 336.361 3.894 20 30 EHEDMO CC[N@@H+](Cc1cc(C(F)(F)F)nn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000596983705 1034482207 /nfs/dbraw/zinc/48/22/07/1034482207.db2.gz FKXFFZAZWIKWRC-GFCCVEGCSA-N 1 1 336.361 3.894 20 30 EHEDMO C=CC[N@@H+](Cc1cc(COC)cs1)Cc1cccc([N+](=O)[O-])c1 ZINC000596996493 1034498758 /nfs/dbraw/zinc/49/87/58/1034498758.db2.gz XKTMCURKGRXJTG-UHFFFAOYSA-N 1 1 332.425 3.991 20 30 EHEDMO C=CC[N@H+](Cc1cc(COC)cs1)Cc1cccc([N+](=O)[O-])c1 ZINC000596996493 1034498763 /nfs/dbraw/zinc/49/87/63/1034498763.db2.gz XKTMCURKGRXJTG-UHFFFAOYSA-N 1 1 332.425 3.991 20 30 EHEDMO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1OC ZINC000179633786 1034536464 /nfs/dbraw/zinc/53/64/64/1034536464.db2.gz KYBDEKOIVMNOHM-ZDUSSCGKSA-N 1 1 328.387 3.874 20 30 EHEDMO C=CC[C@@H](C)NC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000604899050 1034539433 /nfs/dbraw/zinc/53/94/33/1034539433.db2.gz ISTNNQGMKWCQLZ-QAPCUYQASA-N 1 1 349.906 3.958 20 30 EHEDMO CC[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@H]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000060469576 1034571968 /nfs/dbraw/zinc/57/19/68/1034571968.db2.gz VIWNMYYPWFSMFI-FUHIMQAGSA-N 1 1 341.499 3.978 20 30 EHEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC1=CCSC1 ZINC000597243956 1034623154 /nfs/dbraw/zinc/62/31/54/1034623154.db2.gz JLWHHIKIEIFZOO-UHFFFAOYSA-N 1 1 338.480 3.569 20 30 EHEDMO C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000456798442 1034720735 /nfs/dbraw/zinc/72/07/35/1034720735.db2.gz VFVKTBXJFHRZMT-QGZVFWFLSA-N 1 1 337.448 3.742 20 30 EHEDMO C[C@H]1CN(c2ccc(Cl)c(C#N)n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000450807246 1034817085 /nfs/dbraw/zinc/81/70/85/1034817085.db2.gz GKZVKPDDQAMJFR-OAHLLOKOSA-N 1 1 340.858 3.565 20 30 EHEDMO N#Cc1c(F)cccc1CNC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000602009925 1034856907 /nfs/dbraw/zinc/85/69/07/1034856907.db2.gz ZFSDMYSDBWRSJA-HNNXBMFYSA-N 1 1 343.471 3.761 20 30 EHEDMO Cn1cc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179884472 1034963568 /nfs/dbraw/zinc/96/35/68/1034963568.db2.gz JFRDHKXOJRKQPR-MRXNPFEDSA-N 1 1 348.372 3.733 20 30 EHEDMO Cn1cc(C[N@@H+](C)CCc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000179912923 1035005850 /nfs/dbraw/zinc/00/58/50/1035005850.db2.gz RZUVQMKHYSEIPR-UHFFFAOYSA-N 1 1 330.435 3.633 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccncc3)C2)c(OC(F)F)c1 ZINC000451004378 1035023221 /nfs/dbraw/zinc/02/32/21/1035023221.db2.gz MYZNFMAHKDEEDM-INIZCTEOSA-N 1 1 343.377 3.934 20 30 EHEDMO CO[C@H](C)c1nc(CO[NH+]=C(N)C23CC4CC(CC(C4)C2)C3)cs1 ZINC000177547133 1035211891 /nfs/dbraw/zinc/21/18/91/1035211891.db2.gz HKKGFCFKDJBSAU-HDPALTEOSA-N 1 1 349.500 3.856 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1nnc2n1CCCCC2 ZINC000613062679 1035383406 /nfs/dbraw/zinc/38/34/06/1035383406.db2.gz ODXPTNFYFACKLJ-OAHLLOKOSA-N 1 1 337.471 3.656 20 30 EHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(OCC2CC2)c(F)c1 ZINC000580089399 1035403194 /nfs/dbraw/zinc/40/31/94/1035403194.db2.gz AKHLYMQNBFYDFX-ZDUSSCGKSA-N 1 1 325.387 3.732 20 30 EHEDMO COC(=O)c1cccc(C[N@H+](C)C/C(C)=C\c2ccccc2)c1C#N ZINC000580928358 1035463637 /nfs/dbraw/zinc/46/36/37/1035463637.db2.gz QTHDDCWGDAMZEI-VBKFSLOCSA-N 1 1 334.419 3.880 20 30 EHEDMO COC(=O)c1cccc(C[N@@H+](C)C/C(C)=C\c2ccccc2)c1C#N ZINC000580928358 1035463642 /nfs/dbraw/zinc/46/36/42/1035463642.db2.gz QTHDDCWGDAMZEI-VBKFSLOCSA-N 1 1 334.419 3.880 20 30 EHEDMO COC(=O)c1cccc(C[N@H+](C)C/C(C)=C/c2ccccc2)c1C#N ZINC000580928357 1035463776 /nfs/dbraw/zinc/46/37/76/1035463776.db2.gz QTHDDCWGDAMZEI-FOWTUZBSSA-N 1 1 334.419 3.880 20 30 EHEDMO COC(=O)c1cccc(C[N@@H+](C)C/C(C)=C/c2ccccc2)c1C#N ZINC000580928357 1035463781 /nfs/dbraw/zinc/46/37/81/1035463781.db2.gz QTHDDCWGDAMZEI-FOWTUZBSSA-N 1 1 334.419 3.880 20 30 EHEDMO CC(C)[N@H+](C)CCNC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000173123040 1035531448 /nfs/dbraw/zinc/53/14/48/1035531448.db2.gz HSYKRVWWUCYTRM-AWEZNQCLSA-N 1 1 334.489 3.543 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000582244903 1035720341 /nfs/dbraw/zinc/72/03/41/1035720341.db2.gz RNWGCVKTAQNXPA-KRWDZBQOSA-N 1 1 325.343 3.943 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000582244903 1035720360 /nfs/dbraw/zinc/72/03/60/1035720360.db2.gz RNWGCVKTAQNXPA-KRWDZBQOSA-N 1 1 325.343 3.943 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(C#N)ccc1F ZINC000271425874 1035891419 /nfs/dbraw/zinc/89/14/19/1035891419.db2.gz BENWBYKTIRFCAE-IERDGZPVSA-N 1 1 337.442 3.698 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000271425874 1035891437 /nfs/dbraw/zinc/89/14/37/1035891437.db2.gz BENWBYKTIRFCAE-IERDGZPVSA-N 1 1 337.442 3.698 20 30 EHEDMO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(CC#N)CC1 ZINC000541019241 1035920328 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Cc1ccc([C@@H]2CC[N@@H+](CCC(=O)Nc3cccc(C#N)c3)C2)cc1 ZINC000541389660 1036250301 /nfs/dbraw/zinc/25/03/01/1036250301.db2.gz IIJCXNXLLRKQLC-LJQANCHMSA-N 1 1 333.435 3.685 20 30 EHEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000492753188 1036251279 /nfs/dbraw/zinc/25/12/79/1036251279.db2.gz ZCJUFROWLXZXDO-GJZGRUSLSA-N 1 1 349.272 3.569 20 30 EHEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000492791125 1036294283 /nfs/dbraw/zinc/29/42/83/1036294283.db2.gz RHOMXFPGPIMBFI-QGZVFWFLSA-N 1 1 349.272 3.712 20 30 EHEDMO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000053126041 1036295525 /nfs/dbraw/zinc/29/55/25/1036295525.db2.gz WKTMZUDJRTWOIA-NSHDSACASA-N 1 1 349.406 3.920 20 30 EHEDMO N#Cc1ccc(C[NH2+]CCc2ccc3cn[nH]c3c2)c(C(F)(F)F)c1 ZINC000589319242 1036358709 /nfs/dbraw/zinc/35/87/09/1036358709.db2.gz PVPZHQOIBNPFSH-UHFFFAOYSA-N 1 1 344.340 3.786 20 30 EHEDMO C=C[C@@H](CC(=O)NCCC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000535371136 1036404557 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1040631974 /nfs/dbraw/zinc/63/19/74/1040631974.db2.gz BZMIEKKTQYICCU-CQSZACIVSA-N 1 1 329.444 3.751 20 30 EHEDMO COCCCC[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000418138124 1040640509 /nfs/dbraw/zinc/64/05/09/1040640509.db2.gz SGPSGUIGQJBAFW-UHFFFAOYSA-N 1 1 338.451 3.996 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000433078692 1040660181 /nfs/dbraw/zinc/66/01/81/1040660181.db2.gz TVJSOXCZQZRIJW-LJQANCHMSA-N 1 1 333.435 3.766 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000120482668 1040735431 /nfs/dbraw/zinc/73/54/31/1040735431.db2.gz LLFZEGZCZCURCL-UHFFFAOYSA-N 1 1 332.350 3.800 20 30 EHEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000120482668 1040735448 /nfs/dbraw/zinc/73/54/48/1040735448.db2.gz LLFZEGZCZCURCL-UHFFFAOYSA-N 1 1 332.350 3.800 20 30 EHEDMO Cc1ccc(C#N)c(NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000500289951 1040948026 /nfs/dbraw/zinc/94/80/26/1040948026.db2.gz CIKLRNZXAXNWSN-HKUYNNGSSA-N 1 1 334.467 3.974 20 30 EHEDMO C=C(C)[C@@H]([NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000481581871 1041112727 /nfs/dbraw/zinc/11/27/27/1041112727.db2.gz PJGAJUGUXQLDLZ-BIENJYKASA-N 1 1 336.426 3.676 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000433278146 1041188648 /nfs/dbraw/zinc/18/86/48/1041188648.db2.gz FKMWHKFBFWNENT-HXUWFJFHSA-N 1 1 333.435 3.594 20 30 EHEDMO C=CCc1cc(CNC[C@H]2CCCC[N@@H+]2CCCC)cc(OC)c1O ZINC000500926148 1041265910 /nfs/dbraw/zinc/26/59/10/1041265910.db2.gz ZQNLHFIEQUHKDL-LJQANCHMSA-N 1 1 346.515 3.874 20 30 EHEDMO C=CCc1cc(C[NH2+]C[C@H]2CCCCN2CCCC)cc(OC)c1O ZINC000500926148 1041265923 /nfs/dbraw/zinc/26/59/23/1041265923.db2.gz ZQNLHFIEQUHKDL-LJQANCHMSA-N 1 1 346.515 3.874 20 30 EHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000563072603 1041294726 /nfs/dbraw/zinc/29/47/26/1041294726.db2.gz NBANMBCXTCMXTR-QGZVFWFLSA-N 1 1 330.353 3.941 20 30 EHEDMO N#Cc1cccc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000511858910 1041733091 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C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccnn1CC1CCCCC1 ZINC000662088143 1042507574 /nfs/dbraw/zinc/50/75/74/1042507574.db2.gz XTSPAVYCOWCVMV-HDICACEKSA-N 1 1 342.487 3.585 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000599513320 1042545416 /nfs/dbraw/zinc/54/54/16/1042545416.db2.gz SBBDNLWWRSLOEF-BZUAXINKSA-N 1 1 349.425 3.545 20 30 EHEDMO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(OC)c1 ZINC000093872099 1042565537 /nfs/dbraw/zinc/56/55/37/1042565537.db2.gz DJYXWJRKQVWXGZ-VQTJNVASSA-N 1 1 336.435 3.976 20 30 EHEDMO COc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(OC)c1 ZINC000093872099 1042565538 /nfs/dbraw/zinc/56/55/38/1042565538.db2.gz DJYXWJRKQVWXGZ-VQTJNVASSA-N 1 1 336.435 3.976 20 30 EHEDMO C#Cc1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](CC)C2)c1 ZINC000759932796 1042604289 /nfs/dbraw/zinc/60/42/89/1042604289.db2.gz YCWACDOMPUQRJU-OAQYLSRUSA-N 1 1 347.462 3.796 20 30 EHEDMO C=C(C)[C@@H](CO)[N@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000662404757 1042700420 /nfs/dbraw/zinc/70/04/20/1042700420.db2.gz NFIRRLQOHHCUFE-OAHLLOKOSA-N 1 1 345.270 3.581 20 30 EHEDMO C=C(C)[C@@H](CO)[N@@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000662404757 1042700425 /nfs/dbraw/zinc/70/04/25/1042700425.db2.gz NFIRRLQOHHCUFE-OAHLLOKOSA-N 1 1 345.270 3.581 20 30 EHEDMO CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1cccc(Cl)c1 ZINC000603682839 1042830375 /nfs/dbraw/zinc/83/03/75/1042830375.db2.gz GEHGMUKKCKLULV-UHFFFAOYSA-N 1 1 347.890 3.847 20 30 EHEDMO CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1cccc(Cl)c1 ZINC000603682839 1042830378 /nfs/dbraw/zinc/83/03/78/1042830378.db2.gz GEHGMUKKCKLULV-UHFFFAOYSA-N 1 1 347.890 3.847 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@H]1C ZINC000408247360 1042852376 /nfs/dbraw/zinc/85/23/76/1042852376.db2.gz UQDZGMOFJGNVJY-CHWSQXEVSA-N 1 1 331.485 3.700 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@H]1C ZINC000408247360 1042852381 /nfs/dbraw/zinc/85/23/81/1042852381.db2.gz UQDZGMOFJGNVJY-CHWSQXEVSA-N 1 1 331.485 3.700 20 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EHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC000072898012 1126916746 /nfs/dbraw/zinc/91/67/46/1126916746.db2.gz ZSQFSOUHHIGHFK-RBUKOAKNSA-N 1 1 334.419 3.730 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC000072898012 1126916747 /nfs/dbraw/zinc/91/67/47/1126916747.db2.gz ZSQFSOUHHIGHFK-RBUKOAKNSA-N 1 1 334.419 3.730 20 30 EHEDMO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](C)C#N)cc1 ZINC000183818122 1127387647 /nfs/dbraw/zinc/38/76/47/1127387647.db2.gz SYQAWCSCZRZFSQ-MRXNPFEDSA-N 1 1 346.434 3.797 20 30 EHEDMO C/C=C(/C=C\C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)CC ZINC000764635058 1127516159 /nfs/dbraw/zinc/51/61/59/1127516159.db2.gz IGAPTZIWSQTBRC-MMKMEQLLSA-N 1 1 337.467 3.505 20 30 EHEDMO CCOc1cccc(/C=N/[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1O ZINC000764887818 1127546449 /nfs/dbraw/zinc/54/64/49/1127546449.db2.gz HEOFHPYMTYBENT-QBZLRBDUSA-N 1 1 338.451 3.730 20 30 EHEDMO Clc1cc(Br)ccc1N=NC1CC[N@H+]2CCC[C@H]12 ZINC000765583886 1127684610 /nfs/dbraw/zinc/68/46/10/1127684610.db2.gz IIIMCBZANCSCNM-CYBMUJFWSA-N 1 1 328.641 3.739 20 30 EHEDMO CC(=[NH+]NCCOCC(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000765605057 1127702960 /nfs/dbraw/zinc/70/29/60/1127702960.db2.gz QJXPYZWUIZFOLO-UHFFFAOYSA-N 1 1 343.393 3.569 20 30 EHEDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)C2(C#N)CCCCC2)CCC1 ZINC000386702030 1127713178 /nfs/dbraw/zinc/71/31/78/1127713178.db2.gz VDMGHJBLXHDSQP-UHFFFAOYSA-N 1 1 339.483 3.631 20 30 EHEDMO Cc1cc(C#N)cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC001670905536 1128019903 /nfs/dbraw/zinc/01/99/03/1128019903.db2.gz HHRIJXZSTDPTGB-OXQOHEQNSA-N 1 1 348.450 3.651 20 30 EHEDMO N#Cc1csc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)c1 ZINC000084281984 1128188817 /nfs/dbraw/zinc/18/88/17/1128188817.db2.gz PAIJWXLSBMERGN-UHFFFAOYSA-N 1 1 346.481 3.705 20 30 EHEDMO CC(=O)c1ccc(C#N)c(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000273236955 1128454986 /nfs/dbraw/zinc/45/49/86/1128454986.db2.gz SNFPPWDXLWPKQE-FUHWJXTLSA-N 1 1 339.483 3.852 20 30 EHEDMO COc1cc(Nc2ccc[nH+]c2N)c(C#N)cc1OCc1ccccc1 ZINC001212406190 1128456749 /nfs/dbraw/zinc/45/67/49/1128456749.db2.gz WZUHSNLCWMNFDN-UHFFFAOYSA-N 1 1 346.390 3.867 20 30 EHEDMO COc1ccc2c(c1Cl)[C@@H]([NH2+]Cc1ccc(C#N)cn1)CCC2 ZINC000903152258 1128459858 /nfs/dbraw/zinc/45/98/58/1128459858.db2.gz BITXEVNRBKEOOG-HNNXBMFYSA-N 1 1 327.815 3.782 20 30 EHEDMO CC[N@@H+](CC(=O)N(C)C1CCCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340558 1128473073 /nfs/dbraw/zinc/47/30/73/1128473073.db2.gz YWIWOWDOVBFLDM-INIZCTEOSA-N 1 1 327.472 3.732 20 30 EHEDMO C=C(C)CCC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC001128062985 1128492580 /nfs/dbraw/zinc/49/25/80/1128492580.db2.gz RKWFVMKQMSKJIK-UHFFFAOYSA-N 1 1 325.250 3.806 20 30 EHEDMO Cc1nnc(NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c(C#N)c1C ZINC000301127226 1128574234 /nfs/dbraw/zinc/57/42/34/1128574234.db2.gz WZRRYQPPRHREJO-HNNXBMFYSA-N 1 1 349.482 3.952 20 30 EHEDMO C[C@H](CNc1nc(C(F)(F)F)ccc1C#N)[N@H+]1CCC[C@@H](C)C1 ZINC000301279670 1128581832 /nfs/dbraw/zinc/58/18/32/1128581832.db2.gz JTKWBKMLSRSFGP-VXGBXAGGSA-N 1 1 326.366 3.504 20 30 EHEDMO C[C@@H]1C[C@@H](Nc2snc(Cl)c2C#N)C[N@H+]1Cc1ccccc1 ZINC000301613665 1128598453 /nfs/dbraw/zinc/59/84/53/1128598453.db2.gz HJHVSEMUHWMBAN-DGCLKSJQSA-N 1 1 332.860 3.743 20 30 EHEDMO C[C@H]1C[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000301611226 1128598554 /nfs/dbraw/zinc/59/85/54/1128598554.db2.gz DNJGLOVWKFOJJI-WMLDXEAASA-N 1 1 336.395 3.541 20 30 EHEDMO C[C@H]1C[C@@H](Nc2snc(Cl)c2C#N)C[N@H+]1Cc1ccccc1 ZINC000301613666 1128598718 /nfs/dbraw/zinc/59/87/18/1128598718.db2.gz HJHVSEMUHWMBAN-WCQYABFASA-N 1 1 332.860 3.743 20 30 EHEDMO Cc1ccc(CNc2ccc(Cl)c(C#N)n2)c(N2CCCC2)[nH+]1 ZINC000302055958 1128617089 /nfs/dbraw/zinc/61/70/89/1128617089.db2.gz QPUWYYWWPMJRBY-UHFFFAOYSA-N 1 1 327.819 3.522 20 30 EHEDMO CC(=O)c1ccc(C#N)c(NC2CCN(c3ccc(C)c[nH+]3)CC2)c1 ZINC000302057481 1128617419 /nfs/dbraw/zinc/61/74/19/1128617419.db2.gz ZWDCKMZRTVLCFT-UHFFFAOYSA-N 1 1 334.423 3.545 20 30 EHEDMO N#Cc1ccc(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000302135498 1128621571 /nfs/dbraw/zinc/62/15/71/1128621571.db2.gz HTVHSWMJVVQUMY-XUVXKRRUSA-N 1 1 332.451 3.666 20 30 EHEDMO N#Cc1ccc(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000302135494 1128621770 /nfs/dbraw/zinc/62/17/70/1128621770.db2.gz HTVHSWMJVVQUMY-SLFFLAALSA-N 1 1 332.451 3.666 20 30 EHEDMO N#Cc1ccc(NCCc2cn3c([nH+]2)CCCC3)cc1C(F)(F)F ZINC000302667422 1128640541 /nfs/dbraw/zinc/64/05/41/1128640541.db2.gz MXBSQMNXXRJUQV-UHFFFAOYSA-N 1 1 334.345 3.764 20 30 EHEDMO C[N@@H+]1CC[C@H](Nc2ccc(C#N)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302827343 1128649775 /nfs/dbraw/zinc/64/97/75/1128649775.db2.gz NMWDJIQXQHGEAB-DLBZAZTESA-N 1 1 330.794 3.603 20 30 EHEDMO C[N@H+]1CC[C@H](Nc2ccc(C#N)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302827343 1128649778 /nfs/dbraw/zinc/64/97/78/1128649778.db2.gz NMWDJIQXQHGEAB-DLBZAZTESA-N 1 1 330.794 3.603 20 30 EHEDMO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(Cl)cc3Cl)n2c1 ZINC000123140308 1128650922 /nfs/dbraw/zinc/65/09/22/1128650922.db2.gz MPTMXHLUSOXSFH-UHFFFAOYSA-N 1 1 331.206 3.803 20 30 EHEDMO C[C@@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000404091548 1128676965 /nfs/dbraw/zinc/67/69/65/1128676965.db2.gz WTHJLBROQOYWLC-UZLBHIALSA-N 1 1 337.442 3.840 20 30 EHEDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CCN1Cc1ccccc1 ZINC000404091548 1128676967 /nfs/dbraw/zinc/67/69/67/1128676967.db2.gz WTHJLBROQOYWLC-UZLBHIALSA-N 1 1 337.442 3.840 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000303539270 1128682097 /nfs/dbraw/zinc/68/20/97/1128682097.db2.gz FXJACWUHMTXLTE-HTAPYJJXSA-N 1 1 347.462 3.939 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000303539270 1128682099 /nfs/dbraw/zinc/68/20/99/1128682099.db2.gz FXJACWUHMTXLTE-HTAPYJJXSA-N 1 1 347.462 3.939 20 30 EHEDMO N#Cc1cccc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000554845550 1128716604 /nfs/dbraw/zinc/71/66/04/1128716604.db2.gz BNAMJZBYFVMWJT-MRXNPFEDSA-N 1 1 338.373 3.992 20 30 EHEDMO CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072733310 1128734655 /nfs/dbraw/zinc/73/46/55/1128734655.db2.gz JTTRZUXKRINFQA-HXUWFJFHSA-N 1 1 348.450 3.687 20 30 EHEDMO C[NH+]1CCN(c2ccc(N[C@@H]3CCC[C@@H](C#N)C3)cc2Cl)CC1 ZINC000765919628 1128747105 /nfs/dbraw/zinc/74/71/05/1128747105.db2.gz GUZJGOGWBXSOBP-HUUCEWRRSA-N 1 1 332.879 3.586 20 30 EHEDMO N#Cc1cc(F)c(N2CCC[N@@H+](Cc3ccccc3)CC2)c(F)c1 ZINC000109809250 1128752097 /nfs/dbraw/zinc/75/20/97/1128752097.db2.gz JEURBNZPRBOIHZ-UHFFFAOYSA-N 1 1 327.378 3.549 20 30 EHEDMO CC(C)[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000428842982 1128771910 /nfs/dbraw/zinc/77/19/10/1128771910.db2.gz SHSKWLFYJJTQKT-FXAWDEMLSA-N 1 1 338.451 3.770 20 30 EHEDMO COc1ccc([C@@H]2C[C@@H]([N@@H+](C)Cc3cccc(C#N)c3)CCO2)cc1 ZINC001168673181 1128776118 /nfs/dbraw/zinc/77/61/18/1128776118.db2.gz QZWKYUZEPKLITK-FPOVZHCZSA-N 1 1 336.435 3.919 20 30 EHEDMO C[C@@H]1C[NH+](Cc2ccccc2NCc2csc(C#N)c2)C[C@@H](C)O1 ZINC000921873871 1128862929 /nfs/dbraw/zinc/86/29/29/1128862929.db2.gz NPKUZSLUPXSOTA-HUUCEWRRSA-N 1 1 341.480 3.841 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000007385828 1128864344 /nfs/dbraw/zinc/86/43/44/1128864344.db2.gz DEQVVTUZHIHVAG-KRWDZBQOSA-N 1 1 347.462 3.840 20 30 EHEDMO C=CCC[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001687384445 1120244072 /nfs/dbraw/zinc/24/40/72/1120244072.db2.gz NKTRXDNOCVUGTB-WOJBJXKFSA-N 1 1 341.499 3.710 20 30 EHEDMO CC(C)OC(=O)C[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000184482662 1120376872 /nfs/dbraw/zinc/37/68/72/1120376872.db2.gz UOZLNRYHJGPYIA-KRWDZBQOSA-N 1 1 333.859 3.745 20 30 EHEDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000184482662 1120376876 /nfs/dbraw/zinc/37/68/76/1120376876.db2.gz UOZLNRYHJGPYIA-KRWDZBQOSA-N 1 1 333.859 3.745 20 30 EHEDMO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)s1 ZINC000076342362 1128916156 /nfs/dbraw/zinc/91/61/56/1128916156.db2.gz UMTVHKUHANESRC-LBPRGKRZSA-N 1 1 331.441 3.597 20 30 EHEDMO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)s1 ZINC000076342362 1128916160 /nfs/dbraw/zinc/91/61/60/1128916160.db2.gz UMTVHKUHANESRC-LBPRGKRZSA-N 1 1 331.441 3.597 20 30 EHEDMO Cc1nc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)cc1C#N ZINC000310148709 1128926984 /nfs/dbraw/zinc/92/69/84/1128926984.db2.gz MEBJLXFLLHAVFA-INIZCTEOSA-N 1 1 340.858 3.849 20 30 EHEDMO CC[N@@H+](CC#Cc1ccccc1)CC1CCN(c2ccccn2)CC1 ZINC000192049773 1120707706 /nfs/dbraw/zinc/70/77/06/1120707706.db2.gz BGXLKZUDCLOOTK-UHFFFAOYSA-N 1 1 333.479 3.672 20 30 EHEDMO C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194293528 1120833506 /nfs/dbraw/zinc/83/35/06/1120833506.db2.gz IATIEJGZRWVHSF-MJGOQNOKSA-N 1 1 329.488 3.553 20 30 EHEDMO Cc1[nH+]c(C=NNc2ccc(Br)cc2)c2ccccn12 ZINC000914599545 1120921124 /nfs/dbraw/zinc/92/11/24/1120921124.db2.gz IQYBBTVVXOXMPI-UHFFFAOYSA-N 1 1 329.201 3.851 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000487846179 1120973794 /nfs/dbraw/zinc/97/37/94/1120973794.db2.gz VMCPXMRXCWGOBW-CYBMUJFWSA-N 1 1 327.815 3.843 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000487846179 1120973797 /nfs/dbraw/zinc/97/37/97/1120973797.db2.gz VMCPXMRXCWGOBW-CYBMUJFWSA-N 1 1 327.815 3.843 20 30 EHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H](C)Cc1cccc(F)c1)C2 ZINC001168487575 1121160557 /nfs/dbraw/zinc/16/05/57/1121160557.db2.gz ONSUVNNBWLDQDR-LSTHTHJFSA-N 1 1 333.447 3.583 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCC[N@H+]2CCCCC#N)C1 ZINC000495597777 1121298054 /nfs/dbraw/zinc/29/80/54/1121298054.db2.gz OKNZIGXQSWMTGH-DLBZAZTESA-N 1 1 335.492 3.792 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCC[N@H+]2CCCCC#N)C1 ZINC000495597780 1121298299 /nfs/dbraw/zinc/29/82/99/1121298299.db2.gz OKNZIGXQSWMTGH-SJORKVTESA-N 1 1 335.492 3.792 20 30 EHEDMO N#CC1(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CCCC1 ZINC000032413517 1121347448 /nfs/dbraw/zinc/34/74/48/1121347448.db2.gz XVLDSNCCSOWTFH-UHFFFAOYSA-N 1 1 347.462 3.568 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495715081 1121373844 /nfs/dbraw/zinc/37/38/44/1121373844.db2.gz GCABHVWJEJGGIS-MGPUTAFESA-N 1 1 343.471 3.856 20 30 EHEDMO N#Cc1ccc(C[N@H+](Cc2cnn(Cc3ccccc3)c2)C2CC2)cc1 ZINC000193613742 1121492694 /nfs/dbraw/zinc/49/26/94/1121492694.db2.gz WOYZPFRNEIDEIH-UHFFFAOYSA-N 1 1 342.446 3.968 20 30 EHEDMO N#Cc1ccc(C[N@@H+](Cc2cnn(Cc3ccccc3)c2)C2CC2)cc1 ZINC000193613742 1121492699 /nfs/dbraw/zinc/49/26/99/1121492699.db2.gz WOYZPFRNEIDEIH-UHFFFAOYSA-N 1 1 342.446 3.968 20 30 EHEDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000282118991 1121795172 /nfs/dbraw/zinc/79/51/72/1121795172.db2.gz XRBPEKJXWYQEGN-FYSMJZIKSA-N 1 1 348.512 3.517 20 30 EHEDMO CC(C)(C)OC(=O)N1C[C@@H]2CCC[N@@H+](CCCC(C)(C)C#N)[C@@H]2C1 ZINC000496395018 1122072582 /nfs/dbraw/zinc/07/25/82/1122072582.db2.gz CRQZWZPHKWIRHH-JKSUJKDBSA-N 1 1 335.492 3.648 20 30 EHEDMO COc1cccc(C[N@@H+](CC(C)C)C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000763409820 1122230464 /nfs/dbraw/zinc/23/04/64/1122230464.db2.gz UMDCWUHKICWUME-NRFANRHFSA-N 1 1 338.451 3.758 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000066954994 1122492591 /nfs/dbraw/zinc/49/25/91/1122492591.db2.gz LLPHNEQCYPJUBW-CABCVRRESA-N 1 1 346.500 3.544 20 30 EHEDMO C[C@H](C1CC1)[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CC1 ZINC000917100134 1122499275 /nfs/dbraw/zinc/49/92/75/1122499275.db2.gz JJESVWDJTQLPSO-IUODEOHRSA-N 1 1 339.464 3.735 20 30 EHEDMO C[C@H](C1CC1)[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CC1 ZINC000917100134 1122499277 /nfs/dbraw/zinc/49/92/77/1122499277.db2.gz JJESVWDJTQLPSO-IUODEOHRSA-N 1 1 339.464 3.735 20 30 EHEDMO C=C(C)Cn1c(SCc2[nH]c(C)[nH+]c2C)nnc1-c1ccncc1 ZINC000917245025 1122566193 /nfs/dbraw/zinc/56/61/93/1122566193.db2.gz BMJBKKNZUWGHSM-UHFFFAOYSA-N 1 1 340.456 3.548 20 30 EHEDMO Cc1nn2c(nc3ccccc3c2=O)c1=C[NH2+]Nc1cc(C)cc(C)c1 ZINC000918710613 1122899385 /nfs/dbraw/zinc/89/93/85/1122899385.db2.gz WLQJLDRCDJRYGO-UHFFFAOYSA-N 1 1 345.406 3.547 20 30 EHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2)C1 ZINC000194743200 1122916029 /nfs/dbraw/zinc/91/60/29/1122916029.db2.gz YJEACAYNHGVFNP-KRWDZBQOSA-N 1 1 347.462 3.971 20 30 EHEDMO C=CCC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000130970586 1123027572 /nfs/dbraw/zinc/02/75/72/1123027572.db2.gz BTQOTCWPWPGATR-QRQLOZEOSA-N 1 1 329.488 3.818 20 30 EHEDMO CSCC[C@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000072666024 1123138896 /nfs/dbraw/zinc/13/88/96/1123138896.db2.gz QNFHWZDDLGAJKE-INIZCTEOSA-N 1 1 347.528 3.624 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)cc1OC ZINC000347685981 1129128251 /nfs/dbraw/zinc/12/82/51/1129128251.db2.gz SHZCVAYCNKGKRW-GOSISDBHSA-N 1 1 331.456 3.651 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000609384944 1123567720 /nfs/dbraw/zinc/56/77/20/1123567720.db2.gz YJFUHYHOEIDLTI-HUUCEWRRSA-N 1 1 331.485 3.751 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000609384944 1123567725 /nfs/dbraw/zinc/56/77/25/1123567725.db2.gz YJFUHYHOEIDLTI-HUUCEWRRSA-N 1 1 331.485 3.751 20 30 EHEDMO CC[N@@H+](CCOc1cccc(C#N)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000609432196 1123578378 /nfs/dbraw/zinc/57/83/78/1123578378.db2.gz QWLRNXHPPVVFSS-KRWDZBQOSA-N 1 1 338.451 3.899 20 30 EHEDMO Cc1cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c(C)s1 ZINC000195674296 1123712263 /nfs/dbraw/zinc/71/22/63/1123712263.db2.gz MGYXTRLSPBMHMF-UHFFFAOYSA-N 1 1 325.481 3.949 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000610133250 1123740026 /nfs/dbraw/zinc/74/00/26/1123740026.db2.gz AIOGPNRQIMFLKA-AWEZNQCLSA-N 1 1 340.398 3.704 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000237607232 1123788039 /nfs/dbraw/zinc/78/80/39/1123788039.db2.gz AFWUUMWIAPBUJN-XMSQKQJNSA-N 1 1 349.478 3.904 20 30 EHEDMO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)[C@@H]1c1ccccc1 ZINC000081574349 1123848886 /nfs/dbraw/zinc/84/88/86/1123848886.db2.gz RXWLRLDXDQGPAG-UTKZUKDTSA-N 1 1 333.435 3.626 20 30 EHEDMO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@@H]1c1ccccc1 ZINC000081574349 1123848888 /nfs/dbraw/zinc/84/88/88/1123848888.db2.gz RXWLRLDXDQGPAG-UTKZUKDTSA-N 1 1 333.435 3.626 20 30 EHEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000617201119 1124103562 /nfs/dbraw/zinc/10/35/62/1124103562.db2.gz NXKZLYCUDMGOHQ-ZDUSSCGKSA-N 1 1 331.213 3.903 20 30 EHEDMO C=CC[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccncc1 ZINC000734657394 1131263082 /nfs/dbraw/zinc/26/30/82/1131263082.db2.gz DYOWNIAPHQMGEB-HKUYNNGSSA-N 1 1 344.503 3.510 20 30 EHEDMO COC(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)o1 ZINC000181424206 1124823462 /nfs/dbraw/zinc/82/34/62/1124823462.db2.gz GYPXKYFVPADJPM-UHFFFAOYSA-N 1 1 346.386 3.895 20 30 EHEDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cccc(CC#N)c2)c1 ZINC000171852800 1124995080 /nfs/dbraw/zinc/99/50/80/1124995080.db2.gz WTDODAMTUMAJOT-UHFFFAOYSA-N 1 1 335.451 3.523 20 30 EHEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C[C@H](O)C1CC1 ZINC000618284428 1125037339 /nfs/dbraw/zinc/03/73/39/1125037339.db2.gz FCCMGLRNUMBREK-NRFANRHFSA-N 1 1 334.463 3.589 20 30 EHEDMO C#CC[N@@H+](Cc1coc(-c2ccc(C(=O)OC)cc2)n1)C1CCCC1 ZINC000182228728 1125224060 /nfs/dbraw/zinc/22/40/60/1125224060.db2.gz IKQCHQQMCZMPLP-UHFFFAOYSA-N 1 1 338.407 3.506 20 30 EHEDMO C#CC[N@H+](Cc1coc(-c2ccc(C(=O)OC)cc2)n1)C1CCCC1 ZINC000182228728 1125224065 /nfs/dbraw/zinc/22/40/65/1125224065.db2.gz IKQCHQQMCZMPLP-UHFFFAOYSA-N 1 1 338.407 3.506 20 30 EHEDMO CCCCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)C1(C)C ZINC000763565803 1125334881 /nfs/dbraw/zinc/33/48/81/1125334881.db2.gz JABRHEYJMGQXNW-IPMKNSEASA-N 1 1 330.472 3.507 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000619724624 1125389036 /nfs/dbraw/zinc/38/90/36/1125389036.db2.gz NRJZGNKAORFFHZ-KRWDZBQOSA-N 1 1 335.451 3.518 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000619724624 1125389039 /nfs/dbraw/zinc/38/90/39/1125389039.db2.gz NRJZGNKAORFFHZ-KRWDZBQOSA-N 1 1 335.451 3.518 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CCCOc2ccc(C#N)cc2)C1 ZINC000735491449 1131353495 /nfs/dbraw/zinc/35/34/95/1131353495.db2.gz HNRJPMHBCKWSOF-NSHGMRRFSA-N 1 1 341.499 3.664 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1cccc(F)c1 ZINC000198386187 1125441693 /nfs/dbraw/zinc/44/16/93/1125441693.db2.gz PSDCKTXIOJOMEM-UHFFFAOYSA-N 1 1 325.387 3.548 20 30 EHEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000115552174 1129273795 /nfs/dbraw/zinc/27/37/95/1129273795.db2.gz SHGANYFBNWFZCX-WMLDXEAASA-N 1 1 339.464 3.826 20 30 EHEDMO CC(N=Nc1ccccc1F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735612461 1131363536 /nfs/dbraw/zinc/36/35/36/1131363536.db2.gz LJXDQSJQNDTQBT-LJQANCHMSA-N 1 1 327.403 3.515 20 30 EHEDMO CC(N=Nc1ccccc1F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735612461 1131363542 /nfs/dbraw/zinc/36/35/42/1131363542.db2.gz LJXDQSJQNDTQBT-LJQANCHMSA-N 1 1 327.403 3.515 20 30 EHEDMO C=CCc1cc(C[NH2+][C@H](C)c2cc(OC)ccn2)cc(OC)c1OC ZINC000925358611 1129484285 /nfs/dbraw/zinc/48/42/85/1129484285.db2.gz YXXYDVNSXMHZHD-CQSZACIVSA-N 1 1 342.439 3.687 20 30 EHEDMO N#Cc1cc(F)ccc1C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000170971347 1129526752 /nfs/dbraw/zinc/52/67/52/1129526752.db2.gz VIYZMZJJNUZSLU-UHFFFAOYSA-N 1 1 328.362 3.632 20 30 EHEDMO C[C@@H]1SCC[N@H+](Cc2cnc3ccc(C#N)cn23)[C@H]1c1ccccc1 ZINC000093535470 1129592794 /nfs/dbraw/zinc/59/27/94/1129592794.db2.gz BMPDGBYCGJVRIZ-MGPUTAFESA-N 1 1 348.475 3.885 20 30 EHEDMO C[C@@H]1SCC[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@H]1c1ccccc1 ZINC000093535470 1129592800 /nfs/dbraw/zinc/59/28/00/1129592800.db2.gz BMPDGBYCGJVRIZ-MGPUTAFESA-N 1 1 348.475 3.885 20 30 EHEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093531793 1129593019 /nfs/dbraw/zinc/59/30/19/1129593019.db2.gz FODJBKLRUDXNLK-AUUYWEPGSA-N 1 1 334.398 3.928 20 30 EHEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093531793 1129593022 /nfs/dbraw/zinc/59/30/22/1129593022.db2.gz FODJBKLRUDXNLK-AUUYWEPGSA-N 1 1 334.398 3.928 20 30 EHEDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2cnc3ccc(C#N)cn23)cc1 ZINC000093772126 1129602611 /nfs/dbraw/zinc/60/26/11/1129602611.db2.gz TYJQPHHNDZGZIR-INIZCTEOSA-N 1 1 348.450 3.525 20 30 EHEDMO N#Cc1c(F)cccc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000428956807 1129637292 /nfs/dbraw/zinc/63/72/92/1129637292.db2.gz ZBUYMGVCSIXSTA-UYAOXDASSA-N 1 1 349.453 3.651 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@H+](C/C=C/c2ccc(F)cc2)CC1 ZINC000509093856 1129739601 /nfs/dbraw/zinc/73/96/01/1129739601.db2.gz KFBWJDGBXGEDJJ-HWKANZROSA-N 1 1 335.426 3.923 20 30 EHEDMO C[C@@H]([NH2+]CC1CCC(C#N)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000282419605 1129769724 /nfs/dbraw/zinc/76/97/24/1129769724.db2.gz SNYWGCDOGRVJFI-HZGZPEGRSA-N 1 1 325.500 3.817 20 30 EHEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000162547378 1129859800 /nfs/dbraw/zinc/85/98/00/1129859800.db2.gz CQDCVXMKODWZMZ-MRXNPFEDSA-N 1 1 326.421 3.728 20 30 EHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000134089004 1129979061 /nfs/dbraw/zinc/97/90/61/1129979061.db2.gz HYLCENCBEOVWJX-CRAIPNDOSA-N 1 1 343.471 3.683 20 30 EHEDMO C=CC[C@@H]1CC[N@H+](Cc2csc(-c3ccc(O)c(OC)c3)n2)C1 ZINC000625703463 1129986876 /nfs/dbraw/zinc/98/68/76/1129986876.db2.gz LLQCEGXAGUCEPG-CYBMUJFWSA-N 1 1 330.453 3.922 20 30 EHEDMO C=CC[C@H]1CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)C1 ZINC000625705565 1129987154 /nfs/dbraw/zinc/98/71/54/1129987154.db2.gz VYBNCENWXVLCQJ-NSHDSACASA-N 1 1 337.345 3.752 20 30 EHEDMO C=CC[C@H]1CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)C1 ZINC000625705565 1129987158 /nfs/dbraw/zinc/98/71/58/1129987158.db2.gz VYBNCENWXVLCQJ-NSHDSACASA-N 1 1 337.345 3.752 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000172395202 1130129473 /nfs/dbraw/zinc/12/94/73/1130129473.db2.gz LMTPHBCAOMGHHK-LPHOPBHVSA-N 1 1 333.435 3.970 20 30 EHEDMO C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CCN1C ZINC000766107935 1130323328 /nfs/dbraw/zinc/32/33/28/1130323328.db2.gz JIIHEMSKMQZZJU-WMLDXEAASA-N 1 1 325.481 3.859 20 30 EHEDMO COc1ccc(C[NH2+][C@H](c2ccccc2)c2cccnc2)cc1C#N ZINC000174345591 1130352724 /nfs/dbraw/zinc/35/27/24/1130352724.db2.gz VMQJSTNUILEZDO-OAQYLSRUSA-N 1 1 329.403 3.841 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@H]1c1cccn1C ZINC000175114434 1130407670 /nfs/dbraw/zinc/40/76/70/1130407670.db2.gz AGLBACYSVSTWJL-SFHVURJKSA-N 1 1 339.439 3.511 20 30 EHEDMO COc1ccc(C2([NH2+]Cc3ccc(F)cc3C#N)CCOCC2)cc1 ZINC000730933422 1130751552 /nfs/dbraw/zinc/75/15/52/1130751552.db2.gz BEPDXZWBLHCNQL-UHFFFAOYSA-N 1 1 340.398 3.501 20 30 EHEDMO C=C(Cl)COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000733529468 1131052377 /nfs/dbraw/zinc/05/23/77/1131052377.db2.gz AADUDNDERFVZJI-OAHLLOKOSA-N 1 1 347.764 3.737 20 30 EHEDMO COC(=O)c1cc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)oc1C ZINC000347955936 1131104189 /nfs/dbraw/zinc/10/41/89/1131104189.db2.gz KPDLDUJCXILFNI-UHFFFAOYSA-N 1 1 336.391 3.536 20 30 EHEDMO COC(=O)c1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)oc1C ZINC000347955936 1131104193 /nfs/dbraw/zinc/10/41/93/1131104193.db2.gz KPDLDUJCXILFNI-UHFFFAOYSA-N 1 1 336.391 3.536 20 30 EHEDMO CCOc1ccc(/C=N/C[C@@H]2CCC[N@H+]2Cc2ccccc2)c(O)c1 ZINC000734096501 1131192213 /nfs/dbraw/zinc/19/22/13/1131192213.db2.gz NSSSCEXIQRMHOC-KWJZBXMYSA-N 1 1 338.451 3.874 20 30 EHEDMO C=CCn1c2ccccc2n(C[N@@H+](CC)C[C@H]2CCOC2)c1=S ZINC000738083384 1131460406 /nfs/dbraw/zinc/46/04/06/1131460406.db2.gz WXZOBZDNTSHKAB-OAHLLOKOSA-N 1 1 331.485 3.674 20 30 EHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H](C)CCOCC(C)C)C2 ZINC001172468680 1131732922 /nfs/dbraw/zinc/73/29/22/1131732922.db2.gz XDSGGWWKVRZCFB-XUVXKRRUSA-N 1 1 339.520 3.511 20 30 EHEDMO CC(C)COCC[C@H](C)[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001172475439 1131736062 /nfs/dbraw/zinc/73/60/62/1131736062.db2.gz IXVXHBBBVHUUGO-FXAWDEMLSA-N 1 1 330.472 3.853 20 30 EHEDMO CC(C)COCC[C@H](C)[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001172476922 1131737654 /nfs/dbraw/zinc/73/76/54/1131737654.db2.gz UFOYWHBASRJRRN-HKUYNNGSSA-N 1 1 330.472 3.853 20 30 EHEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC001172496481 1131758522 /nfs/dbraw/zinc/75/85/22/1131758522.db2.gz MUNQHLUYJGUGLJ-QFBILLFUSA-N 1 1 335.492 3.934 20 30 EHEDMO C[C@@H](CCCC#N)[N@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC001172498628 1131759770 /nfs/dbraw/zinc/75/97/70/1131759770.db2.gz NFMZEDVPIRNQEJ-IZQGTLBWSA-N 1 1 343.446 3.805 20 30 EHEDMO CC(C)OC(=O)CC[C@H](C)[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001172761101 1131838235 /nfs/dbraw/zinc/83/82/35/1131838235.db2.gz DLXLYWYVVZYWFG-QFBILLFUSA-N 1 1 344.455 3.522 20 30 EHEDMO CCCCCCCC[C@H](CCC)[N@H+]1CCN(CC(N)=O)C(C)(C)C1 ZINC001173310435 1132038086 /nfs/dbraw/zinc/03/80/86/1132038086.db2.gz VRCPJMQBYDDOKX-SFHVURJKSA-N 1 1 339.568 3.787 20 30 EHEDMO C=CCOC1CCC([N@H+]2CCC[C@H](c3nc(CCC)no3)C2)CC1 ZINC001173326786 1132048556 /nfs/dbraw/zinc/04/85/56/1132048556.db2.gz QQAYQFBWCFKWRN-GTPINHCMSA-N 1 1 333.476 3.715 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173335574 1132051331 /nfs/dbraw/zinc/05/13/31/1132051331.db2.gz RECUMQFRMHZDDC-AQFXKWCLSA-N 1 1 335.492 3.696 20 30 EHEDMO CCOC(=O)CC[N@@H+](Cc1ccccc1)C1CCC(CC#N)CC1 ZINC001173336452 1132052554 /nfs/dbraw/zinc/05/25/54/1132052554.db2.gz ZNGSQZZEHJZOAA-UHFFFAOYSA-N 1 1 328.456 3.914 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](C3CCC(CC#N)CC3)C[C@H]2C1 ZINC001173337314 1132052702 /nfs/dbraw/zinc/05/27/02/1132052702.db2.gz GYHPTBSEWZRAIF-JDEYZFBPSA-N 1 1 347.503 3.648 20 30 EHEDMO C[N@@H+](CC1CCCCC1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173432926 1132071766 /nfs/dbraw/zinc/07/17/66/1132071766.db2.gz JJZXUPCTILUFRR-UHFFFAOYSA-N 1 1 339.483 3.675 20 30 EHEDMO N#Cc1ccc(C(=O)N2CCC([N@H+]3CC[C@H]3c3ccccc3)CC2)cc1 ZINC001173432647 1132071892 /nfs/dbraw/zinc/07/18/92/1132071892.db2.gz FYKFCOVOTGFCFE-NRFANRHFSA-N 1 1 345.446 3.610 20 30 EHEDMO C=C(Br)C[C@@H]([NH3+])c1nc(-c2cc(F)c(C)c(F)c2)no1 ZINC001249255896 1132090157 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3.549 20 30 EHEDMO C=CCc1cc(C[N@@H+](CC)CCc2ccccn2)cc(OC)c1O ZINC000769033786 1133216203 /nfs/dbraw/zinc/21/62/03/1133216203.db2.gz NPHXUTRNRKRNOR-UHFFFAOYSA-N 1 1 326.440 3.589 20 30 EHEDMO C#CC[N@@H+](Cc1c[nH]nc1-c1cccc(OC)c1)Cc1ccc(F)cc1 ZINC000769145220 1133232749 /nfs/dbraw/zinc/23/27/49/1133232749.db2.gz FEMJBGQRPCPNNL-UHFFFAOYSA-N 1 1 349.409 3.860 20 30 EHEDMO C#CC[N@H+](Cc1c[nH]nc1-c1cccc(OC)c1)Cc1ccc(F)cc1 ZINC000769145220 1133232755 /nfs/dbraw/zinc/23/27/55/1133232755.db2.gz FEMJBGQRPCPNNL-UHFFFAOYSA-N 1 1 349.409 3.860 20 30 EHEDMO COCC[N@@H+](Cc1cc(C#N)ccc1N(C)C)[C@H](C)c1ccccc1 ZINC001179942153 1133302589 /nfs/dbraw/zinc/30/25/89/1133302589.db2.gz MIKNEVXFCPCBMN-QGZVFWFLSA-N 1 1 337.467 3.834 20 30 EHEDMO C#CCOc1ccccc1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000769500439 1133303606 /nfs/dbraw/zinc/30/36/06/1133303606.db2.gz ZVRAMWSMOYLMGH-FQEVSTJZSA-N 1 1 335.447 3.737 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ncc(Br)cc1O ZINC001180279901 1133356742 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EHEDMO CC1(C)C[N@H+](C2(CNc3cc(F)ccc3C#N)CCCCC2)CCO1 ZINC001185323519 1134071953 /nfs/dbraw/zinc/07/19/53/1134071953.db2.gz PSSQEJCVXQROHF-UHFFFAOYSA-N 1 1 345.462 3.923 20 30 EHEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C#N)cc(C)n1 ZINC001185536161 1134109085 /nfs/dbraw/zinc/10/90/85/1134109085.db2.gz XNNITDONJOUOGJ-LJQANCHMSA-N 1 1 334.467 3.610 20 30 EHEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Cc2ccccc2)cc1 ZINC001186547776 1134235616 /nfs/dbraw/zinc/23/56/16/1134235616.db2.gz ZJVFESRYKWXLIO-NRFANRHFSA-N 1 1 334.463 3.658 20 30 EHEDMO Cc1ccc(C[N@H+]2CC[C@H](Nc3ccc(Cl)c(C#N)n3)C2)cc1 ZINC001187393636 1134335612 /nfs/dbraw/zinc/33/56/12/1134335612.db2.gz ZKXRFHSMUNFDQO-HNNXBMFYSA-N 1 1 326.831 3.602 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC001189264086 1134564302 /nfs/dbraw/zinc/56/43/02/1134564302.db2.gz RSLZSSBUNSOLMP-LJQANCHMSA-N 1 1 341.499 3.835 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC001189275700 1134566448 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348.490 3.908 20 30 EHEDMO CC(C)(S)CNc1nccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001170302265 1134738624 /nfs/dbraw/zinc/73/86/24/1134738624.db2.gz CIKOTMOTOKBSMD-UHFFFAOYSA-N 1 1 327.497 3.760 20 30 EHEDMO C[N@H+]1CCc2c(C#N)c(Nc3cc(F)cc4[nH]ccc43)sc2C1 ZINC001203726249 1134745391 /nfs/dbraw/zinc/74/53/91/1134745391.db2.gz UTQXUFIECWSHEV-UHFFFAOYSA-N 1 1 326.400 3.972 20 30 EHEDMO COCC#CC[NH2+][C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC001170316340 1134746219 /nfs/dbraw/zinc/74/62/19/1134746219.db2.gz XQNIZKUSDMPYSU-GOSISDBHSA-N 1 1 336.460 3.820 20 30 EHEDMO C#C[C@@H](CC)[NH2+][C@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000792638215 1134754865 /nfs/dbraw/zinc/75/48/65/1134754865.db2.gz ZJTLGNDYAZORTH-PXNSSMCTSA-N 1 1 336.435 3.767 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2CCCC3(CCCCC3)C2)c1C#N ZINC001190872896 1134761953 /nfs/dbraw/zinc/76/19/53/1134761953.db2.gz POWFTHKFRAVCFG-UHFFFAOYSA-N 1 1 326.440 3.891 20 30 EHEDMO C[C@H]1C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CCC[C@@]1(C)O ZINC001170379138 1134766925 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N#Cc1cncc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)c1 ZINC001192253059 1134986281 /nfs/dbraw/zinc/98/62/81/1134986281.db2.gz OGTBKDWXNIGPHF-HXUWFJFHSA-N 1 1 349.459 3.751 20 30 EHEDMO CCCCCCC[C@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001192949948 1135075088 /nfs/dbraw/zinc/07/50/88/1135075088.db2.gz TXOKLAJTZWTIJP-PKOBYXMFSA-N 1 1 346.519 3.704 20 30 EHEDMO CCCCCCC[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001192949948 1135075094 /nfs/dbraw/zinc/07/50/94/1135075094.db2.gz TXOKLAJTZWTIJP-PKOBYXMFSA-N 1 1 346.519 3.704 20 30 EHEDMO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001193281096 1135122117 /nfs/dbraw/zinc/12/21/17/1135122117.db2.gz CNCJMEPXVHOUNO-GOSISDBHSA-N 1 1 343.471 3.780 20 30 EHEDMO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001193281096 1135122120 /nfs/dbraw/zinc/12/21/20/1135122120.db2.gz CNCJMEPXVHOUNO-GOSISDBHSA-N 1 1 343.471 3.780 20 30 EHEDMO C=CCCCC[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC001193849856 1135195026 /nfs/dbraw/zinc/19/50/26/1135195026.db2.gz TWHIANPWWZGWAM-UHFFFAOYSA-N 1 1 349.276 3.818 20 30 EHEDMO C=CCCCC[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC001193849856 1135195029 /nfs/dbraw/zinc/19/50/29/1135195029.db2.gz TWHIANPWWZGWAM-UHFFFAOYSA-N 1 1 349.276 3.818 20 30 EHEDMO C=CC[C@H]1[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CCCC1(C)C ZINC001193921461 1135204195 /nfs/dbraw/zinc/20/41/95/1135204195.db2.gz XJGFIYLPFBRPAS-QGZVFWFLSA-N 1 1 346.427 3.948 20 30 EHEDMO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001194123006 1135229450 /nfs/dbraw/zinc/22/94/50/1135229450.db2.gz DPNNQADUCLRRIO-GOSISDBHSA-N 1 1 348.874 3.681 20 30 EHEDMO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001194123006 1135229451 /nfs/dbraw/zinc/22/94/51/1135229451.db2.gz DPNNQADUCLRRIO-GOSISDBHSA-N 1 1 348.874 3.681 20 30 EHEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cccc(Cl)c1)CC2 ZINC001203798930 1135301085 /nfs/dbraw/zinc/30/10/85/1135301085.db2.gz NTMCZWRKTVZXEX-LJQANCHMSA-N 1 1 332.875 3.873 20 30 EHEDMO CCCCCCCCOC(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001194753079 1135309450 /nfs/dbraw/zinc/30/94/50/1135309450.db2.gz AWOZWCMCHFNVHX-SFHVURJKSA-N 1 1 333.476 3.743 20 30 EHEDMO CCCCCCCCOC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001194753079 1135309458 /nfs/dbraw/zinc/30/94/58/1135309458.db2.gz AWOZWCMCHFNVHX-SFHVURJKSA-N 1 1 333.476 3.743 20 30 EHEDMO CC[C@H](CC#N)OC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000805927194 1135357151 /nfs/dbraw/zinc/35/71/51/1135357151.db2.gz BMISEADKSRSIJK-DLBZAZTESA-N 1 1 344.455 3.789 20 30 EHEDMO C[C@@H]1[C@@H](N(C)C)CC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC001196095634 1135517069 /nfs/dbraw/zinc/51/70/69/1135517069.db2.gz YYSIBXYRFZKVMZ-KNQAVFIVSA-N 1 1 347.506 3.911 20 30 EHEDMO C[C@@H]1[C@@H](N(C)C)CC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC001196095634 1135517076 /nfs/dbraw/zinc/51/70/76/1135517076.db2.gz YYSIBXYRFZKVMZ-KNQAVFIVSA-N 1 1 347.506 3.911 20 30 EHEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC001196410087 1135559657 /nfs/dbraw/zinc/55/96/57/1135559657.db2.gz MYPJAYMZDWWSBC-VQTJNVASSA-N 1 1 342.483 3.590 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1CCN(c2ccccc2)C1=O ZINC000808141498 1135623211 /nfs/dbraw/zinc/62/32/11/1135623211.db2.gz ZEROIUQTGZAFDK-UHFFFAOYSA-N 1 1 348.450 3.670 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)CN1CCN(c2ccccc2)C1=O ZINC000808141498 1135623212 /nfs/dbraw/zinc/62/32/12/1135623212.db2.gz ZEROIUQTGZAFDK-UHFFFAOYSA-N 1 1 348.450 3.670 20 30 EHEDMO CC[C@@]1(C)CC(=O)N(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)C1 ZINC000808148094 1135624525 /nfs/dbraw/zinc/62/45/25/1135624525.db2.gz TVBOTNLNMVROIU-FQEVSTJZSA-N 1 1 327.472 3.622 20 30 EHEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000775783812 1135724624 /nfs/dbraw/zinc/72/46/24/1135724624.db2.gz VPDIGEQSNLMSIX-QFBILLFUSA-N 1 1 327.472 3.671 20 30 EHEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC001197700877 1135727680 /nfs/dbraw/zinc/72/76/80/1135727680.db2.gz AHZPRVCCSHWBAB-ICSRJNTNSA-N 1 1 346.474 3.950 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+](CC(C)C)C(C)C)cc1C ZINC000747528922 1135739436 /nfs/dbraw/zinc/73/94/36/1135739436.db2.gz QYBRCJMOSLNLAG-UHFFFAOYSA-N 1 1 329.488 3.917 20 30 EHEDMO COc1ccccc1N1CCC[N@@H+](Cc2ccc(C)c(C#N)c2)CC1 ZINC001198632358 1135840907 /nfs/dbraw/zinc/84/09/07/1135840907.db2.gz AILDSIBKSMKHHU-UHFFFAOYSA-N 1 1 335.451 3.588 20 30 EHEDMO C#C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F ZINC000809699510 1135868543 /nfs/dbraw/zinc/86/85/43/1135868543.db2.gz SBKPXEASWPVZNH-HNNXBMFYSA-N 1 1 340.826 3.658 20 30 EHEDMO C[NH+](C)[C@@H](CNc1cc(C#N)ccn1)c1ccc(Cl)cc1Cl ZINC001170584908 1135870940 /nfs/dbraw/zinc/87/09/40/1135870940.db2.gz GPVLSVVFINGRSF-HNNXBMFYSA-N 1 1 335.238 3.975 20 30 EHEDMO N#Cc1csc(C[N@H+]2CCC[C@H]2COC(=O)NC2CCCCC2)c1 ZINC000809719129 1135877293 /nfs/dbraw/zinc/87/72/93/1135877293.db2.gz CEZBVBUKXOBQHB-INIZCTEOSA-N 1 1 347.484 3.643 20 30 EHEDMO N#Cc1csc(C[N@@H+]2CCC[C@H]2COC(=O)NC2CCCCC2)c1 ZINC000809719129 1135877296 /nfs/dbraw/zinc/87/72/96/1135877296.db2.gz CEZBVBUKXOBQHB-INIZCTEOSA-N 1 1 347.484 3.643 20 30 EHEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC(F)F)c1 ZINC000809718608 1135877356 /nfs/dbraw/zinc/87/73/56/1135877356.db2.gz WVOIRLPHMTVPJR-UHFFFAOYSA-N 1 1 331.362 3.932 20 30 EHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OC(F)F)c1 ZINC000809718608 1135877362 /nfs/dbraw/zinc/87/73/62/1135877362.db2.gz WVOIRLPHMTVPJR-UHFFFAOYSA-N 1 1 331.362 3.932 20 30 EHEDMO CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000105456706 1135948076 /nfs/dbraw/zinc/94/80/76/1135948076.db2.gz RHWFWGGVHCYMDN-IBGZPJMESA-N 1 1 329.488 3.579 20 30 EHEDMO CC(C)[N@@H+]1CCC[C@@H](CNCc2cccc(OCCCC#N)c2)C1 ZINC000105456706 1135948079 /nfs/dbraw/zinc/94/80/79/1135948079.db2.gz RHWFWGGVHCYMDN-IBGZPJMESA-N 1 1 329.488 3.579 20 30 EHEDMO CC(C)[N@H+]1CCC[C@@H](CNCc2cccc(OCCCC#N)c2)C1 ZINC000105456706 1135948082 /nfs/dbraw/zinc/94/80/82/1135948082.db2.gz RHWFWGGVHCYMDN-IBGZPJMESA-N 1 1 329.488 3.579 20 30 EHEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cc2C)CC[C@@H]1C ZINC001132300606 1135966549 /nfs/dbraw/zinc/96/65/49/1135966549.db2.gz NMANJKGNBKTPGT-IRXDYDNUSA-N 1 1 347.503 3.649 20 30 EHEDMO C#CCOc1ccc([C@@H](C)OC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC000810575785 1135977550 /nfs/dbraw/zinc/97/75/50/1135977550.db2.gz JQFGWRXWBVWTOI-FOIQADDNSA-N 1 1 347.430 3.515 20 30 EHEDMO C=CCOc1ccc(COC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC000810676938 1135992971 /nfs/dbraw/zinc/99/29/71/1135992971.db2.gz ZSAARROLIMCHGO-LJQANCHMSA-N 1 1 335.419 3.507 20 30 EHEDMO C#Cc1ccccc1CC(=O)O[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000810662531 1135995757 /nfs/dbraw/zinc/99/57/57/1135995757.db2.gz DSZHCICZZWZGDM-XMSQKQJNSA-N 1 1 347.458 3.664 20 30 EHEDMO N#Cc1ccc(CC[N@@H+](Cc2ccccc2)C2(CO)CCCC2)cc1 ZINC001170613615 1135995762 /nfs/dbraw/zinc/99/57/62/1135995762.db2.gz AUAMPNJEUWZRPO-UHFFFAOYSA-N 1 1 334.463 3.908 20 30 EHEDMO CCCCCCCCCCC[N@@H+]1CCc2c(nnn2C)[C@H]1COC ZINC001201630578 1136044987 /nfs/dbraw/zinc/04/49/87/1136044987.db2.gz CFIFFNIQNMVUTE-GOSISDBHSA-N 1 1 336.524 3.892 20 30 EHEDMO CCCCCCCCCCC[N@H+]1CCc2c(nnn2C)[C@H]1COC ZINC001201630578 1136044989 /nfs/dbraw/zinc/04/49/89/1136044989.db2.gz CFIFFNIQNMVUTE-GOSISDBHSA-N 1 1 336.524 3.892 20 30 EHEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](CCCc1ccccc1)C2 ZINC001201660135 1136053186 /nfs/dbraw/zinc/05/31/86/1136053186.db2.gz HTEKNGLOCYBBCR-LEWJYISDSA-N 1 1 329.484 3.693 20 30 EHEDMO CCCCCCC[N@H+]1CCC[C@]2(CCC(=O)N2CCOC)[C@@H]1CC ZINC001201762784 1136061356 /nfs/dbraw/zinc/06/13/56/1136061356.db2.gz VDFZHJYYBPXNQP-ICSRJNTNSA-N 1 1 338.536 3.839 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@@]2(CC(=O)N(Cc3csc(C)n3)C2)C1 ZINC001201776301 1136065406 /nfs/dbraw/zinc/06/54/06/1136065406.db2.gz ARLKLECKWUSJKM-LJQANCHMSA-N 1 1 349.544 3.846 20 30 EHEDMO CCCCCCC[N@H+]1CCC[C@]2(CCC(=O)N2CCOC)[C@H]1CC ZINC001201777282 1136065887 /nfs/dbraw/zinc/06/58/87/1136065887.db2.gz VDFZHJYYBPXNQP-QUCCMNQESA-N 1 1 338.536 3.839 20 30 EHEDMO CCCCCCCCC[N@H+]1CCc2onc(CN3CCOCC3)c2C1 ZINC001201839341 1136069446 /nfs/dbraw/zinc/06/94/46/1136069446.db2.gz LXWHPYNIMXTWKX-UHFFFAOYSA-N 1 1 349.519 3.616 20 30 EHEDMO CCCCCCCCCC[N@H+]1CC[C@@H]2[C@H]1CC(=O)N2c1cnn(C)c1 ZINC001201875307 1136071901 /nfs/dbraw/zinc/07/19/01/1136071901.db2.gz UWBCOHQOQBIHKS-RTBURBONSA-N 1 1 346.519 3.740 20 30 EHEDMO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](CCC(C)(C)C)CC2 ZINC001202072817 1136087977 /nfs/dbraw/zinc/08/79/77/1136087977.db2.gz CQDLHXPHYXEDEZ-UHFFFAOYSA-N 1 1 331.504 3.790 20 30 EHEDMO CCOc1ccc(O)c(/C=N\Cc2cc(C)[nH+]c(N3CCCC3)c2)c1 ZINC000811625716 1136110887 /nfs/dbraw/zinc/11/08/87/1136110887.db2.gz UGXIQUDOJFRBLJ-STZFKDTASA-N 1 1 339.439 3.714 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)c2ccc(C)[nH]c2=O)[C@H]1CC ZINC001489133697 1136166323 /nfs/dbraw/zinc/16/63/23/1136166323.db2.gz LGPPYMXOUREZEX-ZWKOTPCHSA-N 1 1 347.503 3.649 20 30 EHEDMO C#C[C@H](NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)c1ccc(F)cc1 ZINC000812754152 1136243312 /nfs/dbraw/zinc/24/33/12/1136243312.db2.gz JTQZUMZIPLEMOO-ROUUACIJSA-N 1 1 344.817 3.573 20 30 EHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)Cc1ccc(F)cc1 ZINC000338934620 1136360975 /nfs/dbraw/zinc/36/09/75/1136360975.db2.gz FFNHVMJFEPSUNL-HXUWFJFHSA-N 1 1 326.415 3.511 20 30 EHEDMO O=[N+]([O-])c1cc(C=[NH+]OCc2cccc(F)c2)ccc1N1CCCC1 ZINC000852310750 1136447220 /nfs/dbraw/zinc/44/72/20/1136447220.db2.gz WCRYDNVZVHSQTG-UHFFFAOYSA-N 1 1 343.358 3.885 20 30 EHEDMO COc1cccc(CCC[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852328902 1136449568 /nfs/dbraw/zinc/44/95/68/1136449568.db2.gz PFMRVNZJRABAOP-NRFANRHFSA-N 1 1 335.451 3.580 20 30 EHEDMO COc1cccc(CCC[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852328902 1136449570 /nfs/dbraw/zinc/44/95/70/1136449570.db2.gz PFMRVNZJRABAOP-NRFANRHFSA-N 1 1 335.451 3.580 20 30 EHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000852411976 1136454836 /nfs/dbraw/zinc/45/48/36/1136454836.db2.gz XHAWRKRSULZUKX-WBVHZDCISA-N 1 1 346.434 3.512 20 30 EHEDMO CC[N@@H+](CCO[C@H](C)C#N)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000852712936 1136479135 /nfs/dbraw/zinc/47/91/35/1136479135.db2.gz LGPLKDQRTBAVAU-ZIAGYGMSSA-N 1 1 328.378 3.887 20 30 EHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@@H]1CC2(CO1)CCCCC2 ZINC001170769386 1136516638 /nfs/dbraw/zinc/51/66/38/1136516638.db2.gz QGXDXTKGMRUWRL-FQEVSTJZSA-N 1 1 342.483 3.746 20 30 EHEDMO CC(N=Nc1cncc(Br)c1)c1cccc(C[NH+](C)C)c1 ZINC000814887762 1136520294 /nfs/dbraw/zinc/52/02/94/1136520294.db2.gz XYHKDYRQKCVVMN-UHFFFAOYSA-N 1 1 347.260 3.742 20 30 EHEDMO C=CCCCC(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001135006271 1136590096 /nfs/dbraw/zinc/59/00/96/1136590096.db2.gz RCIZXACETSWJEH-AABGKKOBSA-N 1 1 326.484 3.760 20 30 EHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCc3sc(Br)cc32)nc1 ZINC000815618613 1136619925 /nfs/dbraw/zinc/61/99/25/1136619925.db2.gz PAGBXOYYGVHYEM-GFCCVEGCSA-N 1 1 334.242 3.554 20 30 EHEDMO NC(CCCc1ccccc1)=[NH+]OCc1nc(-c2ccsc2)no1 ZINC000112969669 1136665070 /nfs/dbraw/zinc/66/50/70/1136665070.db2.gz JWJGVRPDXNGKMO-UHFFFAOYSA-N 1 1 342.424 3.610 20 30 EHEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H]2Cc2ccc(C)cc2)c1=S ZINC000113246196 1136688193 /nfs/dbraw/zinc/68/81/93/1136688193.db2.gz RSYNWHBYNGAGMU-GOSISDBHSA-N 1 1 342.512 3.882 20 30 EHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H]2Cc2ccc(C)cc2)c1=S ZINC000113246196 1136688195 /nfs/dbraw/zinc/68/81/95/1136688195.db2.gz RSYNWHBYNGAGMU-GOSISDBHSA-N 1 1 342.512 3.882 20 30 EHEDMO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cc(F)ccc2F)ccc1OC ZINC000113347794 1136697385 /nfs/dbraw/zinc/69/73/85/1136697385.db2.gz GEUASXDTSAVXLM-MRXNPFEDSA-N 1 1 346.377 3.944 20 30 EHEDMO Cc1oc(C#N)cc1C(=O)O[C@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000816469116 1136719902 /nfs/dbraw/zinc/71/99/02/1136719902.db2.gz SNZYBMNEJQWOBM-LIRRHRJNSA-N 1 1 338.407 3.670 20 30 EHEDMO CCCCCCCCCCC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000856255716 1136769528 /nfs/dbraw/zinc/76/95/28/1136769528.db2.gz QDTXSZJXKGIGRW-IBGZPJMESA-N 1 1 338.536 3.575 20 30 EHEDMO C[C@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(C(F)(F)F)nc1Cl ZINC000856778299 1136810188 /nfs/dbraw/zinc/81/01/88/1136810188.db2.gz KJNLRNSZXOSBOW-VIFPVBQESA-N 1 1 340.736 3.871 20 30 EHEDMO N#CC[C@H]1CCC[N@H+]([C@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170886224 1136858168 /nfs/dbraw/zinc/85/81/68/1136858168.db2.gz PPHSUSVQTSKOGP-DYVFJYSZSA-N 1 1 333.273 3.932 20 30 EHEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2nn(CC)nc2C)cc1 ZINC000818343657 1136873191 /nfs/dbraw/zinc/87/31/91/1136873191.db2.gz COUNTLBHKORECB-ZDUSSCGKSA-N 1 1 334.851 3.589 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)s1 ZINC000858011351 1136930143 /nfs/dbraw/zinc/93/01/43/1136930143.db2.gz UDQSWXTVPPHOES-MRXNPFEDSA-N 1 1 339.464 3.936 20 30 EHEDMO C#CCOc1ccccc1C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858012905 1136930850 /nfs/dbraw/zinc/93/08/50/1136930850.db2.gz DAAAORZNYZBRBG-FQEVSTJZSA-N 1 1 348.446 3.624 20 30 EHEDMO C[C@@H](NN=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccncc1 ZINC000819817002 1136962275 /nfs/dbraw/zinc/96/22/75/1136962275.db2.gz UEPCVDFPIHOJHU-HBGVWJBISA-N 1 1 334.467 3.915 20 30 EHEDMO Cc1ccc(N2CCC(C(=O)OCc3ccc(C)c(C#N)c3)CC2)[nH+]c1 ZINC000859518616 1137018072 /nfs/dbraw/zinc/01/80/72/1137018072.db2.gz GTEYUKWEDLVLFB-UHFFFAOYSA-N 1 1 349.434 3.530 20 30 EHEDMO N#CCCC[C@@H]([NH3+])c1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000822664365 1137068931 /nfs/dbraw/zinc/06/89/31/1137068931.db2.gz OLCISCXPLUBIAF-GFCCVEGCSA-N 1 1 325.199 3.661 20 30 EHEDMO N#CCCC[C@H]([NH3+])c1nc(C2(c3ccccc3F)CCCC2)no1 ZINC000823185150 1137088800 /nfs/dbraw/zinc/08/88/00/1137088800.db2.gz NTSWUWMZCNJLCF-HNNXBMFYSA-N 1 1 328.391 3.762 20 30 EHEDMO N#CCCC[C@H]([NH3+])c1nc(-c2cc(F)cc(C(F)(F)F)c2)no1 ZINC000823291507 1137094725 /nfs/dbraw/zinc/09/47/25/1137094725.db2.gz QCRZIAHBLFVZAX-NSHDSACASA-N 1 1 328.269 3.588 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000862024061 1137127280 /nfs/dbraw/zinc/12/72/80/1137127280.db2.gz OWBJIIGLKJFTMZ-SFHVURJKSA-N 1 1 345.531 3.778 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[N@H+](CC(C)(C)CCC#N)C[C@](C)(F)C1 ZINC000824510594 1137142409 /nfs/dbraw/zinc/14/24/09/1137142409.db2.gz XFJQICSWWHNJPJ-SFHVURJKSA-N 1 1 341.471 3.597 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[N@@H+](CC(C)(C)CCC#N)C[C@](C)(F)C1 ZINC000824510594 1137142411 /nfs/dbraw/zinc/14/24/11/1137142411.db2.gz XFJQICSWWHNJPJ-SFHVURJKSA-N 1 1 341.471 3.597 20 30 EHEDMO N#Cc1cccc2c1CC[C@H]2Nc1[nH+]cnc2[nH]c3c(c21)CCCC3 ZINC001171061589 1137146484 /nfs/dbraw/zinc/14/64/84/1137146484.db2.gz ZVYNITONKVQWLV-QGZVFWFLSA-N 1 1 329.407 3.808 20 30 EHEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@H]3C[C@H](O)c3ccco3)cc2)CC1 ZINC000824928660 1137157971 /nfs/dbraw/zinc/15/79/71/1137157971.db2.gz YAWKGTHQTKZIMD-OALUTQOASA-N 1 1 336.435 3.923 20 30 EHEDMO C[C@H](C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000844370768 1137213242 /nfs/dbraw/zinc/21/32/42/1137213242.db2.gz JIEYKSVZWVUVJP-AUUYWEPGSA-N 1 1 328.843 3.981 20 30 EHEDMO CC(C)(C)C#CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001144050447 1137231889 /nfs/dbraw/zinc/23/18/89/1137231889.db2.gz UEKNEYWMQXJVDL-SFHVURJKSA-N 1 1 346.902 3.860 20 30 EHEDMO CC(C)(C)C#CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001144050447 1137231891 /nfs/dbraw/zinc/23/18/91/1137231891.db2.gz UEKNEYWMQXJVDL-SFHVURJKSA-N 1 1 346.902 3.860 20 30 EHEDMO CCc1[nH+]c(C)cn1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000865392598 1137279436 /nfs/dbraw/zinc/27/94/36/1137279436.db2.gz FPLAYGZEGHSPQA-UHFFFAOYSA-N 1 1 342.468 3.595 20 30 EHEDMO COc1cc(Cl)ccc1C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865456129 1137285490 /nfs/dbraw/zinc/28/54/90/1137285490.db2.gz KGKILNMLFBWHFB-UHFFFAOYSA-N 1 1 329.831 3.576 20 30 EHEDMO CCC1CCC([NH2+][C@H](C)Cc2cccc(C#N)c2)(C(=O)OC)CC1 ZINC001171191580 1137298560 /nfs/dbraw/zinc/29/85/60/1137298560.db2.gz BORDKSFGYGAJTK-LSWWBPAMSA-N 1 1 328.456 3.591 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1(c2ccccc2Cl)COC1 ZINC001171194183 1137302590 /nfs/dbraw/zinc/30/25/90/1137302590.db2.gz HDVLNHPMOGGADD-AWEZNQCLSA-N 1 1 326.827 3.658 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](N3Cc4ccccc4NC3=O)C2)cc1 ZINC001144580435 1137310798 /nfs/dbraw/zinc/31/07/98/1137310798.db2.gz BYPDHLPJTGHLSY-FQEVSTJZSA-N 1 1 345.446 3.680 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)CC2)cc1 ZINC001144576967 1137311957 /nfs/dbraw/zinc/31/19/57/1137311957.db2.gz YGGBQZPBXWREPY-SFHVURJKSA-N 1 1 328.456 3.547 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2sccc2CC#N)C1 ZINC000865861089 1137317332 /nfs/dbraw/zinc/31/73/32/1137317332.db2.gz MWODDAYKLLTRLB-JKSUJKDBSA-N 1 1 345.512 3.541 20 30 EHEDMO CCCCOc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1 ZINC000846007609 1137325174 /nfs/dbraw/zinc/32/51/74/1137325174.db2.gz RCWTXOOFNNDVMU-OAQYLSRUSA-N 1 1 338.451 3.903 20 30 EHEDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000866193256 1137334683 /nfs/dbraw/zinc/33/46/83/1137334683.db2.gz BXUAKWDTJWOMAM-AWEZNQCLSA-N 1 1 332.329 3.571 20 30 EHEDMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000866193256 1137334685 /nfs/dbraw/zinc/33/46/85/1137334685.db2.gz BXUAKWDTJWOMAM-AWEZNQCLSA-N 1 1 332.329 3.571 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001171213205 1137334927 /nfs/dbraw/zinc/33/49/27/1137334927.db2.gz WYPFZXIYZGJJBY-SFHVURJKSA-N 1 1 337.511 3.830 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001171220557 1137344264 /nfs/dbraw/zinc/34/42/64/1137344264.db2.gz CDZVFDCGVSZMAZ-QGZVFWFLSA-N 1 1 335.451 3.565 20 30 EHEDMO C#CCCOc1ccc(CNC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000772958280 1137380402 /nfs/dbraw/zinc/38/04/02/1137380402.db2.gz WLKDIRZWUVIYGR-HXUWFJFHSA-N 1 1 328.500 3.546 20 30 EHEDMO C#CCCOc1ccc(CNC[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000772958280 1137380403 /nfs/dbraw/zinc/38/04/03/1137380403.db2.gz WLKDIRZWUVIYGR-HXUWFJFHSA-N 1 1 328.500 3.546 20 30 EHEDMO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000847027117 1137383516 /nfs/dbraw/zinc/38/35/16/1137383516.db2.gz SKGYRJUNYWUXTA-NSHDSACASA-N 1 1 344.764 3.643 20 30 EHEDMO C#C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000847027117 1137383517 /nfs/dbraw/zinc/38/35/17/1137383517.db2.gz SKGYRJUNYWUXTA-NSHDSACASA-N 1 1 344.764 3.643 20 30 EHEDMO C#C[C@H]1CCC[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000847026373 1137383529 /nfs/dbraw/zinc/38/35/29/1137383529.db2.gz YHELBXOMYWPFEI-NSHDSACASA-N 1 1 336.222 3.889 20 30 EHEDMO C#C[C@H]1CCC[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000847026373 1137383530 /nfs/dbraw/zinc/38/35/30/1137383530.db2.gz YHELBXOMYWPFEI-NSHDSACASA-N 1 1 336.222 3.889 20 30 EHEDMO N#CC1(Nc2ccc(C3([NH3+])CC3)cc2)CCN(Cc2ccccc2)CC1 ZINC001171278012 1137391767 /nfs/dbraw/zinc/39/17/67/1137391767.db2.gz ZEZPARKANNLPBR-UHFFFAOYSA-N 1 1 346.478 3.605 20 30 EHEDMO N#Cc1ccnc(C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)c1 ZINC001171361356 1137457272 /nfs/dbraw/zinc/45/72/72/1137457272.db2.gz CAJXNGGDFZDESM-UHFFFAOYSA-N 1 1 338.480 3.668 20 30 EHEDMO CC(C)c1nccnc1N=NC1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000773078831 1137463722 /nfs/dbraw/zinc/46/37/22/1137463722.db2.gz PASDEDZTPQYPFS-MRXNPFEDSA-N 1 1 337.471 3.910 20 30 EHEDMO C=CCC[C@H]([NH3+])c1nc(-c2cccc(Br)c2F)no1 ZINC001247622162 1137468598 /nfs/dbraw/zinc/46/85/98/1137468598.db2.gz HJZPXHSKRORENV-JTQLQIEISA-N 1 1 326.169 3.604 20 30 EHEDMO C#CCCCCC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000773317780 1137489403 /nfs/dbraw/zinc/48/94/03/1137489403.db2.gz LVWJYLKUYAKYGY-QUCCMNQESA-N 1 1 326.484 3.597 20 30 EHEDMO C#CC[C@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC001171491700 1137491666 /nfs/dbraw/zinc/49/16/66/1137491666.db2.gz XPDYQTVQLVJKPK-ZDUSSCGKSA-N 1 1 345.493 3.545 20 30 EHEDMO C#CC[C@H]1CCC[N@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC001171491700 1137491667 /nfs/dbraw/zinc/49/16/67/1137491667.db2.gz XPDYQTVQLVJKPK-ZDUSSCGKSA-N 1 1 345.493 3.545 20 30 EHEDMO C=CC[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC001171847201 1137515831 /nfs/dbraw/zinc/51/58/31/1137515831.db2.gz IUSDCNNDNKRGGD-GUYCJALGSA-N 1 1 336.838 3.873 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001172312799 1137546410 /nfs/dbraw/zinc/54/64/10/1137546410.db2.gz JNRJKMRBZAUDJJ-YSZBQJHXSA-N 1 1 345.490 3.553 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001172312799 1137546412 /nfs/dbraw/zinc/54/64/12/1137546412.db2.gz JNRJKMRBZAUDJJ-YSZBQJHXSA-N 1 1 345.490 3.553 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1 ZINC001172313405 1137546644 /nfs/dbraw/zinc/54/66/44/1137546644.db2.gz WIKJYMUVZIOVGN-UZLBHIALSA-N 1 1 333.435 3.592 20 30 EHEDMO CC(C)N1CC[NH+](CCCSc2c(Cl)cccc2C#N)CC1 ZINC000871692335 1137553971 /nfs/dbraw/zinc/55/39/71/1137553971.db2.gz KYQFGBRZLMLLAS-UHFFFAOYSA-N 1 1 337.920 3.720 20 30 EHEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c[nH]c3c1cccc3F)C2 ZINC001137056405 1137571095 /nfs/dbraw/zinc/57/10/95/1137571095.db2.gz TYBDWGNMAIEDAY-OXQOHEQNSA-N 1 1 344.430 3.633 20 30 EHEDMO C=CC(C)(C)CCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000872099880 1137571206 /nfs/dbraw/zinc/57/12/06/1137571206.db2.gz GGYYEXLFKLMAQW-KRWDZBQOSA-N 1 1 342.443 4.000 20 30 EHEDMO C=CCc1cc(C[N@H+]2CC[C@@H](c3nc(C)cs3)C2)c(O)c(OC)c1 ZINC000872807159 1137584690 /nfs/dbraw/zinc/58/46/90/1137584690.db2.gz KYJLXOMNHDATKF-OAHLLOKOSA-N 1 1 344.480 3.884 20 30 EHEDMO Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000874900385 1137625790 /nfs/dbraw/zinc/62/57/90/1137625790.db2.gz GWFNXUSBGVMXGH-CQSZACIVSA-N 1 1 329.419 3.599 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876599738 1137656732 /nfs/dbraw/zinc/65/67/32/1137656732.db2.gz JXNUGUCBRKAFJJ-UHFFFAOYSA-N 1 1 336.479 3.836 20 30 EHEDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2cc(C#N)cnc2Cl)c1 ZINC000876628328 1137657566 /nfs/dbraw/zinc/65/75/66/1137657566.db2.gz ZDZKSAMJJVGBCQ-KRWDZBQOSA-N 1 1 341.842 3.822 20 30 EHEDMO N#Cc1cnc(Cl)c(C[NH+]2CCC(COc3ccccc3)CC2)c1 ZINC000876627967 1137657642 /nfs/dbraw/zinc/65/76/42/1137657642.db2.gz VOXJYUCYYJQOCF-UHFFFAOYSA-N 1 1 341.842 3.898 20 30 EHEDMO C=CC[N@@H+](Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)C1CC1 ZINC000877329225 1137674642 /nfs/dbraw/zinc/67/46/42/1137674642.db2.gz PLQKNGFYUDIBBG-UHFFFAOYSA-N 1 1 335.448 3.585 20 30 EHEDMO C=CC[N@H+](Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)C1CC1 ZINC000877329225 1137674643 /nfs/dbraw/zinc/67/46/43/1137674643.db2.gz PLQKNGFYUDIBBG-UHFFFAOYSA-N 1 1 335.448 3.585 20 30 EHEDMO C[C@H](C[N@@H+](Cc1cc(C#N)cnc1Cl)[C@@H](C)CO)c1ccccc1 ZINC000877529932 1137679930 /nfs/dbraw/zinc/67/99/30/1137679930.db2.gz OJIFJAGOQWMQGO-CABCVRRESA-N 1 1 343.858 3.593 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000877659141 1137684550 /nfs/dbraw/zinc/68/45/50/1137684550.db2.gz KFHPKFWQACZNHF-WKULXVSPSA-N 1 1 347.503 3.504 20 30 EHEDMO COc1ccc([C@@H]2CC[N@H+](Cc3cc(C#N)cnc3Cl)C2)cc1F ZINC000877659720 1137684552 /nfs/dbraw/zinc/68/45/52/1137684552.db2.gz ALAUYWQFXYZACH-CQSZACIVSA-N 1 1 345.805 3.744 20 30 EHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc(C#N)cnc3Cl)C2)cc1F ZINC000877659720 1137684553 /nfs/dbraw/zinc/68/45/53/1137684553.db2.gz ALAUYWQFXYZACH-CQSZACIVSA-N 1 1 345.805 3.744 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000878021650 1137699859 /nfs/dbraw/zinc/69/98/59/1137699859.db2.gz MPESHIUCBDSLCS-SJORKVTESA-N 1 1 347.503 3.792 20 30 EHEDMO CCC[C@]1(COC)CCC[N@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878523176 1137718739 /nfs/dbraw/zinc/71/87/39/1137718739.db2.gz ZEWRZTQSQYQFHQ-NHCUHLMSSA-N 1 1 342.483 3.708 20 30 EHEDMO C=C(Br)C[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)CCCO ZINC000879285404 1137743331 /nfs/dbraw/zinc/74/33/31/1137743331.db2.gz UGJAWMUFDRBVKO-AWEZNQCLSA-N 1 1 342.277 3.567 20 30 EHEDMO C=C(Br)C[N@H+](Cc1ccc(OC)cc1)[C@@H](C)CCCO ZINC000879285404 1137743332 /nfs/dbraw/zinc/74/33/32/1137743332.db2.gz UGJAWMUFDRBVKO-AWEZNQCLSA-N 1 1 342.277 3.567 20 30 EHEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880102700 1137768351 /nfs/dbraw/zinc/76/83/51/1137768351.db2.gz DQKFGCAAIKMXRT-NSHDSACASA-N 1 1 335.329 3.831 20 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/nfs/dbraw/zinc/93/35/76/1137933576.db2.gz FLBYRYDALRPXBT-SFHVURJKSA-N 1 1 347.462 3.776 20 30 EHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC2CCC(C#N)CC2)C1 ZINC000332593857 1137948311 /nfs/dbraw/zinc/94/83/11/1137948311.db2.gz HKKBDZOKVBQNGW-WWDZGPRUSA-N 1 1 348.535 3.516 20 30 EHEDMO C=CCCC[N@H+](C)Cc1cc(=O)oc2cc(NC(=O)OCC)ccc12 ZINC000121048951 1137954671 /nfs/dbraw/zinc/95/46/71/1137954671.db2.gz FHSVMYYVWWRLLP-UHFFFAOYSA-N 1 1 344.411 3.759 20 30 EHEDMO COc1ccc([C@H](C)[NH2+]C[C@H](C#N)CCC#N)cc1Br ZINC000030537485 1138002991 /nfs/dbraw/zinc/00/29/91/1138002991.db2.gz BRPOKAIMDPXQEU-RYUDHWBXSA-N 1 1 336.233 3.552 20 30 EHEDMO C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)CC1(C#N)CCC1 ZINC000885946882 1138027544 /nfs/dbraw/zinc/02/75/44/1138027544.db2.gz TWNATWSSTXXIAU-CYBMUJFWSA-N 1 1 327.255 3.870 20 30 EHEDMO N#CC1(C[C@H](O)C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)CCC1 ZINC000886236613 1138061774 /nfs/dbraw/zinc/06/17/74/1138061774.db2.gz LMZCXBYRNMTABV-MAUKXSAKSA-N 1 1 338.455 3.535 20 30 EHEDMO 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CCC[N@@H+]1Cc2cccc(NC(=O)c3cc(C#N)cc(N(C)C)c3)c2C1 ZINC000339833777 1015725852 /nfs/dbraw/zinc/72/58/52/1015725852.db2.gz GZDROZPVNJIVLM-UHFFFAOYSA-N 1 1 348.450 3.602 20 30 EHEDMO CCC[N@H+]1Cc2cccc(NC(=O)c3cc(C#N)cc(N(C)C)c3)c2C1 ZINC000339833777 1015725860 /nfs/dbraw/zinc/72/58/60/1015725860.db2.gz GZDROZPVNJIVLM-UHFFFAOYSA-N 1 1 348.450 3.602 20 30 EHEDMO C=C(C)CN(C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000180543210 1015979970 /nfs/dbraw/zinc/97/99/70/1015979970.db2.gz FJRWWWPTSUKVMX-QGZVFWFLSA-N 1 1 329.488 3.636 20 30 EHEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc(C#N)cc1C ZINC000155165066 1016236522 /nfs/dbraw/zinc/23/65/22/1016236522.db2.gz IDMVSSSTQPZXHF-CTNGQTDRSA-N 1 1 345.446 3.623 20 30 EHEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NCc3cc(C#N)cs3)cc2)C1 ZINC000748099471 1016295573 /nfs/dbraw/zinc/29/55/73/1016295573.db2.gz NUNQCKQDSDRTTQ-OAHLLOKOSA-N 1 1 341.480 3.952 20 30 EHEDMO C=CCCCCCCC[N@H+]1CCCn2nnc(COCC3CC3)c2C1 ZINC001209442101 1016300797 /nfs/dbraw/zinc/30/07/97/1016300797.db2.gz UBZKXRDOQJUFTE-UHFFFAOYSA-N 1 1 346.519 3.937 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cc(C#N)cs2)cc1 ZINC000175691366 1016663216 /nfs/dbraw/zinc/66/32/16/1016663216.db2.gz ROVXCYIRWZJMIM-LBPRGKRZSA-N 1 1 336.420 3.605 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(C)(C)CC1 ZINC000407994478 1016785894 /nfs/dbraw/zinc/78/58/94/1016785894.db2.gz CAQVKCORQDDQSY-GFCCVEGCSA-N 1 1 331.485 3.557 20 30 EHEDMO COc1ccc(CNC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000311516779 1016801180 /nfs/dbraw/zinc/80/11/80/1016801180.db2.gz OQIDHRRQWVLCBD-QFIPXVFZSA-N 1 1 349.478 3.569 20 30 EHEDMO COc1ccc(CNC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000311516779 1016801196 /nfs/dbraw/zinc/80/11/96/1016801196.db2.gz OQIDHRRQWVLCBD-QFIPXVFZSA-N 1 1 349.478 3.569 20 30 EHEDMO COc1ccc(C[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)cc1C#N ZINC000311516779 1016801210 /nfs/dbraw/zinc/80/12/10/1016801210.db2.gz OQIDHRRQWVLCBD-QFIPXVFZSA-N 1 1 349.478 3.569 20 30 EHEDMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000414564162 1016971329 /nfs/dbraw/zinc/97/13/29/1016971329.db2.gz XJKLWNVMFAYGQO-AWEZNQCLSA-N 1 1 334.485 3.954 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc(C2(c3ccccc3)CCOCC2)no1 ZINC000904713639 1032203846 /nfs/dbraw/zinc/20/38/46/1032203846.db2.gz OYIVWURMNGJDLX-INIZCTEOSA-N 1 1 327.428 3.522 20 30 EHEDMO COC[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccc(F)c(F)c1 ZINC000538223951 1032225518 /nfs/dbraw/zinc/22/55/18/1032225518.db2.gz ZOZJSFDWDXRMEZ-GOSISDBHSA-N 1 1 335.781 3.947 20 30 EHEDMO COc1nc2ccccc2cc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000584366229 1032239166 /nfs/dbraw/zinc/23/91/66/1032239166.db2.gz LQUQGSUWORJKHG-UHFFFAOYSA-N 1 1 329.403 3.894 20 30 EHEDMO CC(C)(O)C[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000538320939 1032295037 /nfs/dbraw/zinc/29/50/37/1032295037.db2.gz TYUGZGYBOPFNOS-UHFFFAOYSA-N 1 1 338.451 3.600 20 30 EHEDMO CC[N@@H+](Cc1ccccc1C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000485105070 1032307625 /nfs/dbraw/zinc/30/76/25/1032307625.db2.gz OSWQJXBTEWFHJC-KRWDZBQOSA-N 1 1 327.472 3.548 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118390354 1032362553 /nfs/dbraw/zinc/36/25/53/1032362553.db2.gz JJURTFFIGSTEOY-HDICACEKSA-N 1 1 344.462 3.870 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118390354 1032362560 /nfs/dbraw/zinc/36/25/60/1032362560.db2.gz JJURTFFIGSTEOY-HDICACEKSA-N 1 1 344.462 3.870 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459645050 1032365032 /nfs/dbraw/zinc/36/50/32/1032365032.db2.gz GGVNNPBXDNBBRE-CQSZACIVSA-N 1 1 344.402 3.801 20 30 EHEDMO C[C@@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000127487775 1032379421 /nfs/dbraw/zinc/37/94/21/1032379421.db2.gz WDEVXPQGQUODHM-UTKZUKDTSA-N 1 1 347.462 3.963 20 30 EHEDMO CC[C@@H](C)[C@@H]1CN(CCC(C)(C)C#N)CC[N@H+]1CCC(C)(C)C#N ZINC000538468067 1032392426 /nfs/dbraw/zinc/39/24/26/1032392426.db2.gz RGIMZQXVADNAHB-MSOLQXFVSA-N 1 1 332.536 3.898 20 30 EHEDMO CC[C@@H](C)[C@@H]1C[N@H+](CCC(C)(C)C#N)CCN1CCC(C)(C)C#N ZINC000538468067 1032392431 /nfs/dbraw/zinc/39/24/31/1032392431.db2.gz RGIMZQXVADNAHB-MSOLQXFVSA-N 1 1 332.536 3.898 20 30 EHEDMO CC[C@@H](C)[C@@H]1C[N@@H+](CCC(C)(C)C#N)CCN1CCC(C)(C)C#N ZINC000538468067 1032392444 /nfs/dbraw/zinc/39/24/44/1032392444.db2.gz RGIMZQXVADNAHB-MSOLQXFVSA-N 1 1 332.536 3.898 20 30 EHEDMO Cn1cc(CNCc2cccc(C[NH+]3CCCCCC3)c2)cc1C#N ZINC000190909017 1032409911 /nfs/dbraw/zinc/40/99/11/1032409911.db2.gz TXBSYPVNHNWZCA-UHFFFAOYSA-N 1 1 336.483 3.563 20 30 EHEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459736745 1032435380 /nfs/dbraw/zinc/43/53/80/1032435380.db2.gz HIXNUABZWQDKND-MJGOQNOKSA-N 1 1 339.483 3.754 20 30 EHEDMO C[N@H+]1CCC[C@H](CNCc2cccc(F)c2C#N)[C@H]1c1cccs1 ZINC000602012463 1032581278 /nfs/dbraw/zinc/58/12/78/1032581278.db2.gz VQPYXGJABVSNRB-BEFAXECRSA-N 1 1 343.471 3.932 20 30 EHEDMO N#Cc1c(F)cccc1C[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000602007834 1032591949 /nfs/dbraw/zinc/59/19/49/1032591949.db2.gz ZBNUFXBMYKOFEE-UHFFFAOYSA-N 1 1 341.405 3.591 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)nc1 ZINC000593964055 1032628899 /nfs/dbraw/zinc/62/88/99/1032628899.db2.gz XVXZATBPJBYQMP-OAHLLOKOSA-N 1 1 338.480 3.668 20 30 EHEDMO CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000602095395 1032640166 /nfs/dbraw/zinc/64/01/66/1032640166.db2.gz HUSZXHYKSMHGCY-KRWDZBQOSA-N 1 1 338.455 3.685 20 30 EHEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC1(C)C ZINC000449506940 1032689570 /nfs/dbraw/zinc/68/95/70/1032689570.db2.gz ZRAIFRBBKWEBCN-HNNXBMFYSA-N 1 1 326.362 3.824 20 30 EHEDMO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)n2c3ccccc3nc2c1C#N ZINC000610279838 1017540145 /nfs/dbraw/zinc/54/01/45/1017540145.db2.gz LVXAIDZASNQBMR-HUUCEWRRSA-N 1 1 333.439 3.562 20 30 EHEDMO COc1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1C#N ZINC000134958698 1017805655 /nfs/dbraw/zinc/80/56/55/1017805655.db2.gz RYNSUALKMHSJKA-UHFFFAOYSA-N 1 1 334.419 3.662 20 30 EHEDMO CC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)[C@H](C)Cc1ccsc1 ZINC000547973994 1017851312 /nfs/dbraw/zinc/85/13/12/1017851312.db2.gz YKXKDSREPZHHBM-CQSZACIVSA-N 1 1 342.464 3.859 20 30 EHEDMO C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000549251835 1017876312 /nfs/dbraw/zinc/87/63/12/1017876312.db2.gz CQXWXJUKVMPJOR-SFHVURJKSA-N 1 1 347.551 3.611 20 30 EHEDMO C=CCCCCNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000472865805 1018401445 /nfs/dbraw/zinc/40/14/45/1018401445.db2.gz ONABDQHAJFEQAV-SFHVURJKSA-N 1 1 329.488 3.649 20 30 EHEDMO C[C@@H](NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)c1cccc(C#N)c1 ZINC000610363623 1018510942 /nfs/dbraw/zinc/51/09/42/1018510942.db2.gz MLAVGYSASLBYEP-FZKQIMNGSA-N 1 1 341.842 3.692 20 30 EHEDMO N#Cc1ccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000602290165 1032771552 /nfs/dbraw/zinc/77/15/52/1032771552.db2.gz UCCZXFHLMXZTSN-INIZCTEOSA-N 1 1 339.826 3.672 20 30 EHEDMO CC(C)(CC#N)C[NH2+][C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000419356283 1018811508 /nfs/dbraw/zinc/81/15/08/1018811508.db2.gz SPTHRDXKJYBYBF-LJQANCHMSA-N 1 1 335.451 3.574 20 30 EHEDMO Fc1ccc(C#CCN2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000255277282 1018865780 /nfs/dbraw/zinc/86/57/80/1018865780.db2.gz OOXRFAPWYOJFQL-YWEYNIOJSA-N 1 1 334.438 3.508 20 30 EHEDMO C[C@H]1C[C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000398190439 1018988700 /nfs/dbraw/zinc/98/87/00/1018988700.db2.gz ZDRIRECHRYNPSX-KBXCAEBGSA-N 1 1 336.395 3.541 20 30 EHEDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458839065 1019106552 /nfs/dbraw/zinc/10/65/52/1019106552.db2.gz MJMHXIZFBAWTBA-MOPGFXCFSA-N 1 1 342.487 3.546 20 30 EHEDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000458839332 1019418333 /nfs/dbraw/zinc/41/83/33/1019418333.db2.gz MJMHXIZFBAWTBA-RBUKOAKNSA-N 1 1 342.487 3.546 20 30 EHEDMO C=CCCCCCN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000606883580 1032869623 /nfs/dbraw/zinc/86/96/23/1032869623.db2.gz OVBDFQUZQXRLKI-LJQANCHMSA-N 1 1 346.540 3.981 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000574281437 1032877598 /nfs/dbraw/zinc/87/75/98/1032877598.db2.gz SVGLBLGHHKCJOI-GOSISDBHSA-N 1 1 336.395 3.543 20 30 EHEDMO COc1cc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc(OC)c1OC ZINC000177857992 1020213558 /nfs/dbraw/zinc/21/35/58/1020213558.db2.gz QYIMQUZAYUTSNO-LBPRGKRZSA-N 1 1 344.386 3.574 20 30 EHEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1NC(C)=O ZINC000177860133 1020277643 /nfs/dbraw/zinc/27/76/43/1020277643.db2.gz HZYHQVYQRZZGGP-GFCCVEGCSA-N 1 1 341.386 3.515 20 30 EHEDMO CCC[N@@H+](CC(=O)N1CCCC[C@H]1CC)Cc1ccc(C#N)cc1 ZINC000047739926 1020326063 /nfs/dbraw/zinc/32/60/63/1020326063.db2.gz GLVQLWIOVWCTGE-LJQANCHMSA-N 1 1 327.472 3.561 20 30 EHEDMO C=CCCCCC[N@H+](C)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000606902272 1032893966 /nfs/dbraw/zinc/89/39/66/1032893966.db2.gz PAZUIYBDAWKHMD-SFHVURJKSA-N 1 1 329.488 3.692 20 30 EHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NCc2cccc(C#N)n2)c1 ZINC000602486681 1032915866 /nfs/dbraw/zinc/91/58/66/1032915866.db2.gz GKSGLOUYVHMVFI-UHFFFAOYSA-N 1 1 331.423 3.934 20 30 EHEDMO C=CCOc1c(Br)cc(C[N@@H+](C)CC2CC2)cc1OC ZINC000510417090 1020815790 /nfs/dbraw/zinc/81/57/90/1020815790.db2.gz UOWBRIJCNDEJBB-UHFFFAOYSA-N 1 1 340.261 3.864 20 30 EHEDMO Clc1cccc(C#CC[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)c1 ZINC000510419729 1020850578 /nfs/dbraw/zinc/85/05/78/1020850578.db2.gz LELYYNYPMFFDDD-LJQANCHMSA-N 1 1 335.838 3.988 20 30 EHEDMO N#Cc1cccc(C[NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)n1 ZINC000602523940 1032937572 /nfs/dbraw/zinc/93/75/72/1032937572.db2.gz IXJXVGTXWFFMLA-UHFFFAOYSA-N 1 1 348.450 3.762 20 30 EHEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCc3cccc(F)c3[C@@H]2C)cc1 ZINC001167474759 1021189332 /nfs/dbraw/zinc/18/93/32/1021189332.db2.gz UDMVFDQMSOFRMW-HNNXBMFYSA-N 1 1 336.410 3.755 20 30 EHEDMO CC(C)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)CCS1 ZINC000437889827 1021191923 /nfs/dbraw/zinc/19/19/23/1021191923.db2.gz COVHQNHQWRFZBC-HNNXBMFYSA-N 1 1 326.412 3.733 20 30 EHEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CCS1 ZINC000437889827 1021191930 /nfs/dbraw/zinc/19/19/30/1021191930.db2.gz COVHQNHQWRFZBC-HNNXBMFYSA-N 1 1 326.412 3.733 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000341253866 1021197413 /nfs/dbraw/zinc/19/74/13/1021197413.db2.gz NHKYPBNISXHHCE-LJQANCHMSA-N 1 1 349.478 3.697 20 30 EHEDMO C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000516245779 1021225373 /nfs/dbraw/zinc/22/53/73/1021225373.db2.gz SZIOTVTZVKRAMA-IRXDYDNUSA-N 1 1 347.478 3.644 20 30 EHEDMO C=CCCn1cc(CNc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)nn1 ZINC000656770794 1021308961 /nfs/dbraw/zinc/30/89/61/1021308961.db2.gz RKHFPLTXPHKTMN-MRXNPFEDSA-N 1 1 340.475 3.549 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(CNc2nc3c(cc2C#N)CCC3)cc1F ZINC000516362749 1021362079 /nfs/dbraw/zinc/36/20/79/1021362079.db2.gz OIGJOEVWYAHDFT-UHFFFAOYSA-N 1 1 347.397 3.687 20 30 EHEDMO C[C@]1(CO)CCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000516387041 1021375822 /nfs/dbraw/zinc/37/58/22/1021375822.db2.gz FWEAKWFUXIOXNP-OAQYLSRUSA-N 1 1 334.463 3.733 20 30 EHEDMO C[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)[C@@H](c2ccccc2)CO1 ZINC000477278231 1021382938 /nfs/dbraw/zinc/38/29/38/1021382938.db2.gz FINAFHBUOIZPLR-DYESRHJHSA-N 1 1 336.435 3.789 20 30 EHEDMO C[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)[C@@H](c2ccccc2)CO1 ZINC000477278231 1021382953 /nfs/dbraw/zinc/38/29/53/1021382953.db2.gz FINAFHBUOIZPLR-DYESRHJHSA-N 1 1 336.435 3.789 20 30 EHEDMO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000439432608 1021433734 /nfs/dbraw/zinc/43/37/34/1021433734.db2.gz UKNFJZBTCMVTGS-FZKQIMNGSA-N 1 1 342.826 3.852 20 30 EHEDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439452131 1021453653 /nfs/dbraw/zinc/45/36/53/1021453653.db2.gz NFCVYIMHZOEWSN-PBHICJAKSA-N 1 1 347.890 3.728 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602572184 1032981907 /nfs/dbraw/zinc/98/19/07/1032981907.db2.gz YRDGZQGOSYUJHO-XHEHWMSISA-N 1 1 325.500 3.815 20 30 EHEDMO CCCCCCCCC(=O)N1C[C@@H]2C[N@@H+](C3CCCC3)C[C@H](C1)O2 ZINC001270163458 1021509839 /nfs/dbraw/zinc/50/98/39/1021509839.db2.gz DSLYAFUAFLGTSK-KDURUIRLSA-N 1 1 336.520 3.591 20 30 EHEDMO CC1(C)CC(N=Nc2nccnc2Cl)C[N@H+]1Cc1ccccc1 ZINC000761267815 1032990785 /nfs/dbraw/zinc/99/07/85/1032990785.db2.gz WCKRCHMDPDHTBU-UHFFFAOYSA-N 1 1 329.835 3.582 20 30 EHEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]3CCC[C@@H]32)ccc1Cl ZINC000426471268 1021658012 /nfs/dbraw/zinc/65/80/12/1021658012.db2.gz VZYVYDXQJCTKTR-QAPCUYQASA-N 1 1 345.874 3.770 20 30 EHEDMO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)[C@@H](CC)CO1 ZINC000593661900 1033000193 /nfs/dbraw/zinc/00/01/93/1033000193.db2.gz SRHDQLOGPSHZAQ-ZWKOTPCHSA-N 1 1 346.471 3.767 20 30 EHEDMO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)[C@@H](CC)CO1 ZINC000593661900 1033000202 /nfs/dbraw/zinc/00/02/02/1033000202.db2.gz SRHDQLOGPSHZAQ-ZWKOTPCHSA-N 1 1 346.471 3.767 20 30 EHEDMO C=CCC1(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CCCC1 ZINC000664625230 1021739925 /nfs/dbraw/zinc/73/99/25/1021739925.db2.gz KOXFYISQZANHMG-DLBZAZTESA-N 1 1 333.520 3.828 20 30 EHEDMO N#Cc1c(Cl)nsc1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000051232086 1021811308 /nfs/dbraw/zinc/81/13/08/1021811308.db2.gz ZJXYVZKTKWUZNO-LBPRGKRZSA-N 1 1 336.848 3.900 20 30 EHEDMO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)c(-c2cnn(C)c2)c1 ZINC000897624701 1033009119 /nfs/dbraw/zinc/00/91/19/1033009119.db2.gz VNFJPHKSNSGZAN-UHFFFAOYSA-N 1 1 336.464 3.961 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000441068700 1021966320 /nfs/dbraw/zinc/96/63/20/1021966320.db2.gz CZFFNDJOKBUUIQ-MMOPVJDHSA-N 1 1 341.499 3.555 20 30 EHEDMO CC[NH+](CC)CCOC1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000437580893 1021967037 /nfs/dbraw/zinc/96/70/37/1021967037.db2.gz RDEBFEZAUKDAAU-UHFFFAOYSA-N 1 1 348.918 3.514 20 30 EHEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CCCCC[C@H]2c2ccccc2)cc1 ZINC000520169172 1021995985 /nfs/dbraw/zinc/99/59/85/1021995985.db2.gz BHJRWTWKFCVEFD-NRFANRHFSA-N 1 1 347.462 3.792 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@@H+](CC#Cc2ccccc2Cl)CC1 ZINC000441162141 1022023108 /nfs/dbraw/zinc/02/31/08/1022023108.db2.gz ZVQPSODZHSKKCO-UHFFFAOYSA-N 1 1 349.865 3.775 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@H+](CC#Cc2ccccc2Cl)CC1 ZINC000441162141 1022023125 /nfs/dbraw/zinc/02/31/25/1022023125.db2.gz ZVQPSODZHSKKCO-UHFFFAOYSA-N 1 1 349.865 3.775 20 30 EHEDMO C/C(=C/c1ccccc1OC(F)F)C[NH2+]Cc1nc(C#N)cs1 ZINC000897629519 1033025422 /nfs/dbraw/zinc/02/54/22/1033025422.db2.gz KIGYYUXFJVHDMC-WDZFZDKYSA-N 1 1 335.379 3.809 20 30 EHEDMO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000506136695 1022164087 /nfs/dbraw/zinc/16/40/87/1022164087.db2.gz PYQYRHMKGIIDND-UHFFFAOYSA-N 1 1 349.478 3.737 20 30 EHEDMO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000506136695 1022164093 /nfs/dbraw/zinc/16/40/93/1022164093.db2.gz PYQYRHMKGIIDND-UHFFFAOYSA-N 1 1 349.478 3.737 20 30 EHEDMO C=CCN(CCc1ccccc1)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000519504713 1022166799 /nfs/dbraw/zinc/16/67/99/1022166799.db2.gz GJQVPBXZPRQQJE-OALUTQOASA-N 1 1 343.515 3.690 20 30 EHEDMO COc1ccc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000203471922 1022200942 /nfs/dbraw/zinc/20/09/42/1022200942.db2.gz TXYDUCGOWFUUPU-UHFFFAOYSA-N 1 1 349.352 3.864 20 30 EHEDMO CC[N@@H+](Cc1ccc(OCCOC)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000891654744 1022230706 /nfs/dbraw/zinc/23/07/06/1022230706.db2.gz CPAZSDIYTUHLJJ-HNNXBMFYSA-N 1 1 328.412 3.760 20 30 EHEDMO C=CCCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000531905412 1022299205 /nfs/dbraw/zinc/29/92/05/1022299205.db2.gz YVKDSBZBAIAFNN-CYBMUJFWSA-N 1 1 344.377 3.660 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCC(C)(C)C1 ZINC000112701716 1022306647 /nfs/dbraw/zinc/30/66/47/1022306647.db2.gz BZAFLABIRCHPJX-OAHLLOKOSA-N 1 1 345.512 3.999 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCC(C)(C)C1 ZINC000112701716 1022306653 /nfs/dbraw/zinc/30/66/53/1022306653.db2.gz BZAFLABIRCHPJX-OAHLLOKOSA-N 1 1 345.512 3.999 20 30 EHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000438066918 1022367105 /nfs/dbraw/zinc/36/71/05/1022367105.db2.gz MXHJBZMEBIACGB-MRXNPFEDSA-N 1 1 342.405 3.871 20 30 EHEDMO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2ccc(C)cc2)c1C#N ZINC000550379922 1022380841 /nfs/dbraw/zinc/38/08/41/1022380841.db2.gz IGHORAWOOOPVAD-FQEVSTJZSA-N 1 1 334.419 3.990 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2ccc(C)cc2)c1C#N ZINC000550379922 1022380853 /nfs/dbraw/zinc/38/08/53/1022380853.db2.gz IGHORAWOOOPVAD-FQEVSTJZSA-N 1 1 334.419 3.990 20 30 EHEDMO CCC[N@@H+](CCC(=O)Nc1sccc1C#N)CCc1cccs1 ZINC000184503010 1022418785 /nfs/dbraw/zinc/41/87/85/1022418785.db2.gz PWWXLALEQDSOBB-UHFFFAOYSA-N 1 1 347.509 3.965 20 30 EHEDMO C=CCN(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000520433094 1022461125 /nfs/dbraw/zinc/46/11/25/1022461125.db2.gz FRLSZMBDAHIYEM-IBGZPJMESA-N 1 1 341.499 3.647 20 30 EHEDMO N#Cc1cccc(OC2CC[NH+](Cc3ccnn3C3CCC3)CC2)c1 ZINC000891722362 1022463208 /nfs/dbraw/zinc/46/32/08/1022463208.db2.gz WNPKIIQHBLNCHW-UHFFFAOYSA-N 1 1 336.439 3.523 20 30 EHEDMO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)s1 ZINC000328706309 1022472776 /nfs/dbraw/zinc/47/27/76/1022472776.db2.gz ZARJRQIRTDNHQY-TZMCWYRMSA-N 1 1 330.457 3.908 20 30 EHEDMO Cc1nnc([C@@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)s1 ZINC000328706309 1022472785 /nfs/dbraw/zinc/47/27/85/1022472785.db2.gz ZARJRQIRTDNHQY-TZMCWYRMSA-N 1 1 330.457 3.908 20 30 EHEDMO O=C(Nc1cnn(Cc2ccccc2)c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000328749478 1022481104 /nfs/dbraw/zinc/48/11/04/1022481104.db2.gz BQCIVTRSQARFMK-IBGZPJMESA-N 1 1 338.455 3.926 20 30 EHEDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc(Cl)c(N)c2Cl)C1 ZINC000330440862 1022591420 /nfs/dbraw/zinc/59/14/20/1022591420.db2.gz DEYYLKYFKUYKMZ-JTQLQIEISA-N 1 1 330.259 3.612 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCSC2(CCCCC2)C1 ZINC000430776164 1022680144 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20 30 EHEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCO[C@H]4CCC[C@@H]43)c2)c1 ZINC000510630058 1022792063 /nfs/dbraw/zinc/79/20/63/1022792063.db2.gz NKLNZHUBBWEYIH-VXKWHMMOSA-N 1 1 348.446 3.891 20 30 EHEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCO[C@H]4CCC[C@@H]43)c2)c1 ZINC000510630058 1022792078 /nfs/dbraw/zinc/79/20/78/1022792078.db2.gz NKLNZHUBBWEYIH-VXKWHMMOSA-N 1 1 348.446 3.891 20 30 EHEDMO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(C3CCCC3)CC2)C1=O ZINC000610582430 1022792786 /nfs/dbraw/zinc/79/27/86/1022792786.db2.gz HUWBJTMUXBZWLI-KRWDZBQOSA-N 1 1 343.496 3.627 20 30 EHEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000430928035 1022881785 /nfs/dbraw/zinc/88/17/85/1022881785.db2.gz SGONQRXUJSMATL-FQEVSTJZSA-N 1 1 338.426 3.921 20 30 EHEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000430928035 1022881802 /nfs/dbraw/zinc/88/18/02/1022881802.db2.gz SGONQRXUJSMATL-FQEVSTJZSA-N 1 1 338.426 3.921 20 30 EHEDMO CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000343259970 1022886412 /nfs/dbraw/zinc/88/64/12/1022886412.db2.gz DICMTLYNEMEYKV-WUJZJPHMSA-N 1 1 347.528 3.889 20 30 EHEDMO C[NH+](C)[C@@H](C(=O)NCC1(C#N)CCCCC1)c1cccc(Cl)c1 ZINC000598308598 1033088081 /nfs/dbraw/zinc/08/80/81/1033088081.db2.gz MMDIGJNXUDRXAN-MRXNPFEDSA-N 1 1 333.863 3.533 20 30 EHEDMO COc1cccc(C[N@@H+](Cc2csc(C#N)c2)C[C@@H]2CCCO2)c1 ZINC000891813442 1022894839 /nfs/dbraw/zinc/89/48/39/1022894839.db2.gz BKCUMKXLVWRHLF-SFHVURJKSA-N 1 1 342.464 3.810 20 30 EHEDMO COc1cccc(C[N@H+](Cc2csc(C#N)c2)C[C@@H]2CCCO2)c1 ZINC000891813442 1022894846 /nfs/dbraw/zinc/89/48/46/1022894846.db2.gz BKCUMKXLVWRHLF-SFHVURJKSA-N 1 1 342.464 3.810 20 30 EHEDMO C[C@H](CNC(=O)Nc1ccc(C#N)cc1Cl)[N@H+]1CCCC[C@@H]1C ZINC000426144728 1022990668 /nfs/dbraw/zinc/99/06/68/1022990668.db2.gz VXOCIGDROCOUIR-QWHCGFSZSA-N 1 1 334.851 3.596 20 30 EHEDMO CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000598341608 1033107483 /nfs/dbraw/zinc/10/74/83/1033107483.db2.gz DMZFHGFUHSNBBF-QGZVFWFLSA-N 1 1 349.434 3.565 20 30 EHEDMO CC(C)(C)C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCCO ZINC000427030016 1023165548 /nfs/dbraw/zinc/16/55/48/1023165548.db2.gz XRGDJAGVDYPMAS-UHFFFAOYSA-N 1 1 327.390 3.787 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+]2CCC[C@](CC)(CO)C2)ccc1OC ZINC000190213359 1023180221 /nfs/dbraw/zinc/18/02/21/1023180221.db2.gz OCLXHJPDFGGFMC-FQEVSTJZSA-N 1 1 333.472 3.635 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000507272106 1023225162 /nfs/dbraw/zinc/22/51/62/1023225162.db2.gz DTLAOKVMNJLKLY-QFIPXVFZSA-N 1 1 349.478 3.840 20 30 EHEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC2(CC#N)CC2)c1 ZINC000431094286 1023246968 /nfs/dbraw/zinc/24/69/68/1023246968.db2.gz ATIIHWBLPKVYPG-UHFFFAOYSA-N 1 1 347.462 3.742 20 30 EHEDMO CCn1nc(C)c(C[N@@H+](C)Cc2cccc(OCCCC#N)c2)c1C ZINC000602729189 1033117331 /nfs/dbraw/zinc/11/73/31/1033117331.db2.gz SVZDYKBFOXUOPJ-UHFFFAOYSA-N 1 1 340.471 3.834 20 30 EHEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000341762032 1023279218 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N#Cc1cccc(OCCC[N@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000610786285 1023514971 /nfs/dbraw/zinc/51/49/71/1023514971.db2.gz QNNRQVNPKNZENM-OAQYLSRUSA-N 1 1 336.435 3.791 20 30 EHEDMO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C#N)cc1F)CCO2 ZINC000610812551 1023721612 /nfs/dbraw/zinc/72/16/12/1023721612.db2.gz KLYMYICIGSCMCZ-GOSISDBHSA-N 1 1 326.371 3.709 20 30 EHEDMO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C#N)cc1F)CCO2 ZINC000610812552 1023721636 /nfs/dbraw/zinc/72/16/36/1023721636.db2.gz KLYMYICIGSCMCZ-SFHVURJKSA-N 1 1 326.371 3.709 20 30 EHEDMO COCC1(C#N)CC[NH+](Cc2cccc(Br)c2C)CC1 ZINC000342001437 1023751577 /nfs/dbraw/zinc/75/15/77/1023751577.db2.gz ZXSUPFFRFJENQZ-UHFFFAOYSA-N 1 1 337.261 3.510 20 30 EHEDMO CCOC(=O)CC[N@H+](Cc1ccccc1C(C)(C)C#N)CC1CC1 ZINC000610859225 1023799303 /nfs/dbraw/zinc/79/93/03/1023799303.db2.gz IMMIVBWCYHRATQ-UHFFFAOYSA-N 1 1 328.456 3.653 20 30 EHEDMO CC(C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000342070927 1023827609 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ZINC000329343952 1025767287 /nfs/dbraw/zinc/76/72/87/1025767287.db2.gz BLMFWAOIEUQDTL-CYBMUJFWSA-N 1 1 346.450 3.907 20 30 EHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000329343952 1025767302 /nfs/dbraw/zinc/76/73/02/1025767302.db2.gz BLMFWAOIEUQDTL-CYBMUJFWSA-N 1 1 346.450 3.907 20 30 EHEDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000443324960 1025916859 /nfs/dbraw/zinc/91/68/59/1025916859.db2.gz ZHZUAPXPMYAGJD-CKEIUWERSA-N 1 1 325.374 3.538 20 30 EHEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000522068714 1025919057 /nfs/dbraw/zinc/91/90/57/1025919057.db2.gz BSADYAFDFGYXSP-IDHHARJASA-N 1 1 347.890 3.572 20 30 EHEDMO C[N@@H+](Cc1cc(F)ccc1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000158547567 1026119124 /nfs/dbraw/zinc/11/91/24/1026119124.db2.gz MWWZTCWMHBZOLW-UHFFFAOYSA-N 1 1 347.434 3.529 20 30 EHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451629827 1026166315 /nfs/dbraw/zinc/16/63/15/1026166315.db2.gz 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ZINC000475282452 1026440035 /nfs/dbraw/zinc/44/00/35/1026440035.db2.gz GFFAPCLMKUNNTJ-UHFFFAOYSA-N 1 1 343.496 3.558 20 30 EHEDMO C=CCc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)cc(OC)c1O ZINC000475281006 1026440144 /nfs/dbraw/zinc/44/01/44/1026440144.db2.gz BWXOPDONRHGBKE-BXUZGUMPSA-N 1 1 329.362 3.902 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](COC)CC1 ZINC000452077720 1026478175 /nfs/dbraw/zinc/47/81/75/1026478175.db2.gz GBYMPYULEKYGCA-INIZCTEOSA-N 1 1 348.512 3.652 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](COC)CC1 ZINC000452077720 1026478178 /nfs/dbraw/zinc/47/81/78/1026478178.db2.gz GBYMPYULEKYGCA-INIZCTEOSA-N 1 1 348.512 3.652 20 30 EHEDMO C#C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000934514134 1026562804 /nfs/dbraw/zinc/56/28/04/1026562804.db2.gz ZPSZFNZYZJKDAJ-LBPRGKRZSA-N 1 1 325.239 3.810 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)cc1 ZINC000897269861 1026623261 /nfs/dbraw/zinc/62/32/61/1026623261.db2.gz QYFOUKVTBVIVNK-VQIMIIECSA-N 1 1 328.456 3.616 20 30 EHEDMO CC(C)[C@H]1C[N@H+](Cc2ccc(C#N)cc2Br)CCCO1 ZINC000339818316 1026666868 /nfs/dbraw/zinc/66/68/68/1026666868.db2.gz JSLFJVKUCUHVCO-MRXNPFEDSA-N 1 1 337.261 3.568 20 30 EHEDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)CCCO1 ZINC000339818316 1026666873 /nfs/dbraw/zinc/66/68/73/1026666873.db2.gz JSLFJVKUCUHVCO-MRXNPFEDSA-N 1 1 337.261 3.568 20 30 EHEDMO C[C@@H](CNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)[N@@H+](C)C1CC1 ZINC000158590193 1026682580 /nfs/dbraw/zinc/68/25/80/1026682580.db2.gz TZYFOXCULYKZFA-HNNXBMFYSA-N 1 1 348.450 3.514 20 30 EHEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000342702819 1026768605 /nfs/dbraw/zinc/76/86/05/1026768605.db2.gz ZRTDENNSKRHDHU-LJQANCHMSA-N 1 1 334.419 3.861 20 30 EHEDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000563420095 1026789155 /nfs/dbraw/zinc/78/91/55/1026789155.db2.gz KZDYPJPKDCKIGQ-AWEZNQCLSA-N 1 1 342.393 3.774 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000531443801 1026927055 /nfs/dbraw/zinc/92/70/55/1026927055.db2.gz PBXFVZIHFNCAOL-STQMWFEESA-N 1 1 326.843 3.943 20 30 EHEDMO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518585 1026930008 /nfs/dbraw/zinc/93/00/08/1026930008.db2.gz AJBYWIUWCVFGRY-IRXDYDNUSA-N 1 1 335.451 3.564 20 30 EHEDMO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046518585 1026930016 /nfs/dbraw/zinc/93/00/16/1026930016.db2.gz AJBYWIUWCVFGRY-IRXDYDNUSA-N 1 1 335.451 3.564 20 30 EHEDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2cccc(CC#N)c2)CCC1 ZINC000452711592 1026958416 /nfs/dbraw/zinc/95/84/16/1026958416.db2.gz DYKNVBVIWXFOIF-UHFFFAOYSA-N 1 1 347.462 3.537 20 30 EHEDMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046519170 1027005872 /nfs/dbraw/zinc/00/58/72/1027005872.db2.gz XPQMPGCXAPIEKM-ZDUSSCGKSA-N 1 1 327.815 3.671 20 30 EHEDMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046519170 1027005881 /nfs/dbraw/zinc/00/58/81/1027005881.db2.gz XPQMPGCXAPIEKM-ZDUSSCGKSA-N 1 1 327.815 3.671 20 30 EHEDMO COc1ccc(C[N@H+]2CCCCC[C@@H]2CCO)cc1OCCCC#N ZINC000342835362 1027544757 /nfs/dbraw/zinc/54/47/57/1027544757.db2.gz DQTYVUVKCFNGDC-GOSISDBHSA-N 1 1 346.471 3.505 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)ccc1OC ZINC000342833718 1027551043 /nfs/dbraw/zinc/55/10/43/1027551043.db2.gz AGGILBWKRNHVFO-ROUUACIJSA-N 1 1 331.456 3.794 20 30 EHEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCCCC(C)(C)C#N ZINC000503236415 1027675795 /nfs/dbraw/zinc/67/57/95/1027675795.db2.gz CCRAPZNBHDSKHX-QGZVFWFLSA-N 1 1 329.488 3.858 20 30 EHEDMO C=C(C)C[NH+]1CCC(NCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000106245734 1027688015 /nfs/dbraw/zinc/68/80/15/1027688015.db2.gz LZBUMIMDNXFTLN-UHFFFAOYSA-N 1 1 328.378 3.715 20 30 EHEDMO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046529808 1027724724 /nfs/dbraw/zinc/72/47/24/1027724724.db2.gz CTOXLWCANIVYAA-GFCCVEGCSA-N 1 1 345.805 3.810 20 30 EHEDMO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046529808 1027724742 /nfs/dbraw/zinc/72/47/42/1027724742.db2.gz CTOXLWCANIVYAA-GFCCVEGCSA-N 1 1 345.805 3.810 20 30 EHEDMO C=C(CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000503359250 1027747656 /nfs/dbraw/zinc/74/76/56/1027747656.db2.gz CIVLIJHTECLUQD-HXUWFJFHSA-N 1 1 349.478 3.521 20 30 EHEDMO CC(C)CC[N@H+](CCC#N)Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459346456 1027789943 /nfs/dbraw/zinc/78/99/43/1027789943.db2.gz WQJVZGKRYGONBG-GOSISDBHSA-N 1 1 329.488 3.673 20 30 EHEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459346456 1027789953 /nfs/dbraw/zinc/78/99/53/1027789953.db2.gz WQJVZGKRYGONBG-GOSISDBHSA-N 1 1 329.488 3.673 20 30 EHEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H]1CCCO1 ZINC000502158460 1027898942 /nfs/dbraw/zinc/89/89/42/1027898942.db2.gz PQEIWMKOXAUDPO-CQSZACIVSA-N 1 1 328.225 3.755 20 30 EHEDMO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@H]1CCCO1 ZINC000502158460 1027898959 /nfs/dbraw/zinc/89/89/59/1027898959.db2.gz PQEIWMKOXAUDPO-CQSZACIVSA-N 1 1 328.225 3.755 20 30 EHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000111715144 1027930763 /nfs/dbraw/zinc/93/07/63/1027930763.db2.gz MDUVUBLZXGPHSH-INIZCTEOSA-N 1 1 342.487 3.775 20 30 EHEDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1cc(C#N)ccc1Cl ZINC001140600243 1027969911 /nfs/dbraw/zinc/96/99/11/1027969911.db2.gz DRUUANCMQCGPDX-UHFFFAOYSA-N 1 1 337.851 3.558 20 30 EHEDMO CC(C)[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](C)c1ccsc1 ZINC000421000336 1027979162 /nfs/dbraw/zinc/97/91/62/1027979162.db2.gz DBIXZEIVCAJQQY-OAHLLOKOSA-N 1 1 341.480 3.708 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)CC1(C)C ZINC000472269078 1028003505 /nfs/dbraw/zinc/00/35/05/1028003505.db2.gz LTWCRKSLGRBSPC-LSDHHAIUSA-N 1 1 345.512 3.997 20 30 EHEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C[C@H]1CCC[C@H]1O ZINC000444656090 1028117369 /nfs/dbraw/zinc/11/73/69/1028117369.db2.gz CJMWUGXARPDDCU-DENIHFKCSA-N 1 1 348.490 3.979 20 30 EHEDMO Cc1cccc(NC(=O)N2CC[NH+](CCCCC(C)(C)C#N)CC2)c1 ZINC000444666036 1028136083 /nfs/dbraw/zinc/13/60/83/1028136083.db2.gz RNVZQUGUPNSPIC-UHFFFAOYSA-N 1 1 342.487 3.865 20 30 EHEDMO C=CCCNC(=S)N1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001279936268 1028159674 /nfs/dbraw/zinc/15/96/74/1028159674.db2.gz JTIQOFSTNUYCGK-LJQANCHMSA-N 1 1 335.561 3.558 20 30 EHEDMO N#CC(CC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)(c1ccccc1)c1ccccc1 ZINC000444689422 1028162394 /nfs/dbraw/zinc/16/23/94/1028162394.db2.gz NOTJPJDCOSNZIP-VLCRHTCISA-N 1 1 346.474 3.589 20 30 EHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440551446 1028262396 /nfs/dbraw/zinc/26/23/96/1028262396.db2.gz UOLBDHKLYDQABQ-LIVBEALHSA-N 1 1 328.431 3.867 20 30 EHEDMO C=CC[C@H]1[N@H+](CC(=O)N2CCc3sccc3C2)CCCC1(C)C ZINC000444774276 1028263925 /nfs/dbraw/zinc/26/39/25/1028263925.db2.gz IFZSPQJHZJNVTD-QGZVFWFLSA-N 1 1 332.513 3.700 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000523448455 1028345510 /nfs/dbraw/zinc/34/55/10/1028345510.db2.gz YLGNPICEOOJEDD-YLJYHZDGSA-N 1 1 327.472 3.530 20 30 EHEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1nc(C)cs1)c1ccc(F)c(F)c1 ZINC000187773303 1028354351 /nfs/dbraw/zinc/35/43/51/1028354351.db2.gz JKRGVJZCXAMKTJ-HNNXBMFYSA-N 1 1 337.395 3.575 20 30 EHEDMO C[N@@H+](CC1CCC(C#N)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001167641984 1028358395 /nfs/dbraw/zinc/35/83/95/1028358395.db2.gz QVGVJHCVDRILNE-MNLRITNHSA-N 1 1 325.500 3.913 20 30 EHEDMO C[C@H]([NH2+][C@H]1CNCC[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000423372060 1028376448 /nfs/dbraw/zinc/37/64/48/1028376448.db2.gz QXVFOCREAALBFB-ZLXGRDSLSA-N 1 1 341.405 3.633 20 30 EHEDMO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C#N)CC1)c1ccc2ccccc2c1 ZINC000057877167 1028377237 /nfs/dbraw/zinc/37/72/37/1028377237.db2.gz KXTXRXPFBMEMTP-HZPDHXFCSA-N 1 1 335.451 3.641 20 30 EHEDMO C#CCOc1ccccc1CN[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000729682067 1028415145 /nfs/dbraw/zinc/41/51/45/1028415145.db2.gz UCQUGTSSAZKPMH-WIYYLYMNSA-N 1 1 334.463 3.624 20 30 EHEDMO C#CCOc1ccccc1CN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000729682067 1028415147 /nfs/dbraw/zinc/41/51/47/1028415147.db2.gz UCQUGTSSAZKPMH-WIYYLYMNSA-N 1 1 334.463 3.624 20 30 EHEDMO C=C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000523606795 1028462123 /nfs/dbraw/zinc/46/21/23/1028462123.db2.gz VYQNHMWXBMLBCO-IRXDYDNUSA-N 1 1 326.484 3.783 20 30 EHEDMO CC(C)[N@@H+](CCCC#N)C[C@@H](O)COc1cccc2ccccc21 ZINC000071088542 1028473444 /nfs/dbraw/zinc/47/34/44/1028473444.db2.gz HQKQRDWXYPBMRZ-GOSISDBHSA-N 1 1 326.440 3.594 20 30 EHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2ccc(C#N)s2)cc1 ZINC000421600370 1028593713 /nfs/dbraw/zinc/59/37/13/1028593713.db2.gz JVHQTIHSBPCXHH-UHFFFAOYSA-N 1 1 341.480 3.782 20 30 EHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)cc1 ZINC000245558460 1028833464 /nfs/dbraw/zinc/83/34/64/1028833464.db2.gz KWPNPVWMSYWCTA-VQIMIIECSA-N 1 1 336.435 3.976 20 30 EHEDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1ccc(C#N)cc1OC ZINC001167654045 1028922478 /nfs/dbraw/zinc/92/24/78/1028922478.db2.gz VOFXLYSLJKWMMV-IBGZPJMESA-N 1 1 335.451 3.797 20 30 EHEDMO C=CCn1cc(C[NH2+][C@@H](CCC(C)C)c2ccc(OC)cc2)nn1 ZINC000424293241 1028932707 /nfs/dbraw/zinc/93/27/07/1028932707.db2.gz IGGQECVGNYYEQD-IBGZPJMESA-N 1 1 328.460 3.740 20 30 EHEDMO C=CCn1cc(C[NH2+][C@H](C)c2sc(-c3ccccc3)nc2C)nn1 ZINC000424294880 1028937032 /nfs/dbraw/zinc/93/70/32/1028937032.db2.gz LNMZJTAANCGIGH-CYBMUJFWSA-N 1 1 339.468 3.747 20 30 EHEDMO COc1cc(C[NH2+]CC(C)(C)N[C@H](C)c2ccccc2)ccc1C#N ZINC000440814944 1028992358 /nfs/dbraw/zinc/99/23/58/1028992358.db2.gz RCVZOQVTVCXMBV-MRXNPFEDSA-N 1 1 337.467 3.786 20 30 EHEDMO N#CCCC[C@H]([NH3+])c1nc(-c2ccc(F)cc2C(F)(F)F)no1 ZINC000424341440 1029019507 /nfs/dbraw/zinc/01/95/07/1029019507.db2.gz VKTHQNWFYKCIPT-NSHDSACASA-N 1 1 328.269 3.588 20 30 EHEDMO CCC[N@@H+](Cc1cc(C#N)n(C)c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000503123683 1029068319 /nfs/dbraw/zinc/06/83/19/1029068319.db2.gz SNGQZKXLQYKIMF-INIZCTEOSA-N 1 1 338.455 3.526 20 30 EHEDMO C=C[C@@H](CC(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)c1ccccc1 ZINC000154386291 1029099520 /nfs/dbraw/zinc/09/95/20/1029099520.db2.gz JNBVOCCFGGYDGV-INIZCTEOSA-N 1 1 332.407 3.874 20 30 EHEDMO C=C(C)C[NH+]1CCC(NCc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000162044373 1029462074 /nfs/dbraw/zinc/46/20/74/1029462074.db2.gz QQGKTMMPMJSZSE-UHFFFAOYSA-N 1 1 330.369 3.975 20 30 EHEDMO CC[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(Cl)cc1 ZINC000533251104 1029528542 /nfs/dbraw/zinc/52/85/42/1029528542.db2.gz CDEVCIIKVVBXLA-UHFFFAOYSA-N 1 1 327.815 3.672 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(Cl)cc1 ZINC000533251104 1029528550 /nfs/dbraw/zinc/52/85/50/1029528550.db2.gz CDEVCIIKVVBXLA-UHFFFAOYSA-N 1 1 327.815 3.672 20 30 EHEDMO Cc1nnc(NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c(C#N)c1C ZINC000052245146 1029532099 /nfs/dbraw/zinc/53/20/99/1029532099.db2.gz YDZRYDQESRCYJK-OAHLLOKOSA-N 1 1 349.482 3.952 20 30 EHEDMO C=CCCCCC[N@H+](C)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000533288421 1029581316 /nfs/dbraw/zinc/58/13/16/1029581316.db2.gz HUJRGGSAXWGSSO-UHFFFAOYSA-N 1 1 339.483 3.731 20 30 EHEDMO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC[C@H]1c1ccccc1 ZINC000533290599 1029583029 /nfs/dbraw/zinc/58/30/29/1029583029.db2.gz IPHMSUBYNOCIAU-OXJNMPFZSA-N 1 1 333.435 3.622 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000533291983 1029585741 /nfs/dbraw/zinc/58/57/41/1029585741.db2.gz NDXVTIZSBHXFRU-ZNMIVQPWSA-N 1 1 331.485 3.607 20 30 EHEDMO CC(C)[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000533323982 1029615109 /nfs/dbraw/zinc/61/51/09/1029615109.db2.gz HSKTWBUGRKEAEG-UHFFFAOYSA-N 1 1 326.371 3.996 20 30 EHEDMO C#CC[NH+]1CCC(c2nc(CSc3ccc(Cl)cc3)no2)CC1 ZINC000278245370 1029793563 /nfs/dbraw/zinc/79/35/63/1029793563.db2.gz YQWRFRXYCHUWDN-UHFFFAOYSA-N 1 1 347.871 3.828 20 30 EHEDMO C=CCCCN(C)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272330252 1029809408 /nfs/dbraw/zinc/80/94/08/1029809408.db2.gz MLYORPXRSMLATL-IEBWSBKVSA-N 1 1 329.488 3.505 20 30 EHEDMO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccccc3C#N)ccc2NC1=O ZINC000163024524 1029819542 /nfs/dbraw/zinc/81/95/42/1029819542.db2.gz GGYPWMQFLBIVBZ-FZKQIMNGSA-N 1 1 335.407 3.519 20 30 EHEDMO C=CCOc1cccc(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000058432539 1029906655 /nfs/dbraw/zinc/90/66/55/1029906655.db2.gz QLMVVLHNVNLVJG-UHFFFAOYSA-N 1 1 331.460 3.590 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)CCC1CC1 ZINC000441220303 1030001902 /nfs/dbraw/zinc/00/19/02/1030001902.db2.gz BWVQYJYGBVNMKH-ZDUSSCGKSA-N 1 1 345.512 3.948 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000120693305 1030095365 /nfs/dbraw/zinc/09/53/65/1030095365.db2.gz PMRIUUHXRMHBRO-VQIMIIECSA-N 1 1 345.487 3.836 20 30 EHEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@H](c1ccccc1)c1cccc(F)c1 ZINC000447338179 1030107192 /nfs/dbraw/zinc/10/71/92/1030107192.db2.gz AAVLJPPLHIFMCL-OAQYLSRUSA-N 1 1 340.442 3.929 20 30 EHEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)c1 ZINC000525783987 1030121244 /nfs/dbraw/zinc/12/12/44/1030121244.db2.gz FUTMUAUMZNTLDJ-OAQYLSRUSA-N 1 1 335.451 3.840 20 30 EHEDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1cccc(F)c1F ZINC000159454136 1030204961 /nfs/dbraw/zinc/20/49/61/1030204961.db2.gz GAPXFRBYADZNNT-NEPJUHHUSA-N 1 1 329.350 3.514 20 30 EHEDMO C=CC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000121594089 1030303228 /nfs/dbraw/zinc/30/32/28/1030303228.db2.gz VBDXGMGNPHOUMS-UHFFFAOYSA-N 1 1 328.460 3.538 20 30 EHEDMO C=CC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000121594089 1030303235 /nfs/dbraw/zinc/30/32/35/1030303235.db2.gz VBDXGMGNPHOUMS-UHFFFAOYSA-N 1 1 328.460 3.538 20 30 EHEDMO C=C(Br)C[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000091887353 1030331894 /nfs/dbraw/zinc/33/18/94/1030331894.db2.gz CZYBUTJBGPYPAN-UHFFFAOYSA-N 1 1 328.225 3.715 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccnc2ccccc12 ZINC000537637690 1030407087 /nfs/dbraw/zinc/40/70/87/1030407087.db2.gz LVGKLRHYXGBOBZ-UHFFFAOYSA-N 1 1 331.419 3.755 20 30 EHEDMO C[N@@H+](CCC(F)(F)F)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000092478096 1030458629 /nfs/dbraw/zinc/45/86/29/1030458629.db2.gz FSTJHSPBLFSRCO-UHFFFAOYSA-N 1 1 336.361 3.848 20 30 EHEDMO CSc1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000022781764 1030492187 /nfs/dbraw/zinc/49/21/87/1030492187.db2.gz FJKGJYULACKDRE-UHFFFAOYSA-N 1 1 337.492 3.598 20 30 EHEDMO CSc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000022781764 1030492196 /nfs/dbraw/zinc/49/21/96/1030492196.db2.gz FJKGJYULACKDRE-UHFFFAOYSA-N 1 1 337.492 3.598 20 30 EHEDMO CCCCC[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(Cl)cc1 ZINC000527128391 1030655033 /nfs/dbraw/zinc/65/50/33/1030655033.db2.gz OJWNQTULQLBATC-UHFFFAOYSA-N 1 1 347.890 3.895 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCCCNC(=O)C(=C)C)cc1 ZINC001167671947 1030757694 /nfs/dbraw/zinc/75/76/94/1030757694.db2.gz RJQCGIWNQLSCQA-IBGZPJMESA-N 1 1 327.472 3.504 20 30 EHEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CCOc1ccc(C#N)cc1OC ZINC000610215772 1030885170 /nfs/dbraw/zinc/88/51/70/1030885170.db2.gz VJDRLRORLJCAFW-LJQANCHMSA-N 1 1 338.451 3.899 20 30 EHEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]2CCC[C@@H]21)c1cccc(Cl)c1 ZINC000347364061 1030886395 /nfs/dbraw/zinc/88/63/95/1030886395.db2.gz DLZUFNXNUSKQEF-YJBOKZPZSA-N 1 1 345.874 3.851 20 30 EHEDMO Cc1ccnc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000343475320 1031048154 /nfs/dbraw/zinc/04/81/54/1031048154.db2.gz KHUJYPOYCFRGEA-DLBZAZTESA-N 1 1 344.821 3.912 20 30 EHEDMO Cc1ccnc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000343475320 1031048170 /nfs/dbraw/zinc/04/81/70/1031048170.db2.gz KHUJYPOYCFRGEA-DLBZAZTESA-N 1 1 344.821 3.912 20 30 EHEDMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)c1ccc(F)cc1F ZINC000161020188 1031242316 /nfs/dbraw/zinc/24/23/16/1031242316.db2.gz JQMRPMDDPONWIY-SJKOYZFVSA-N 1 1 343.377 3.904 20 30 EHEDMO C=CCC[C@@H](NC(=O)NC[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000179195169 1031732611 /nfs/dbraw/zinc/73/26/11/1031732611.db2.gz GRXKNWLZGVBUTR-VQIMIIECSA-N 1 1 340.471 3.834 20 30 EHEDMO CC[N@H+](Cc1ccc2ccccc2c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000343645247 1031774639 /nfs/dbraw/zinc/77/46/39/1031774639.db2.gz JKCYUZZTVIUQHZ-OAQYLSRUSA-N 1 1 343.430 3.760 20 30 EHEDMO CC[N@@H+](Cc1ccc2ccccc2c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000343645247 1031774649 /nfs/dbraw/zinc/77/46/49/1031774649.db2.gz JKCYUZZTVIUQHZ-OAQYLSRUSA-N 1 1 343.430 3.760 20 30 EHEDMO N#Cc1cccc(OCC[N@H+](Cc2ccco2)Cc2cccnc2)c1 ZINC000180462503 1031856043 /nfs/dbraw/zinc/85/60/43/1031856043.db2.gz FZQQDSXDOLZIMK-UHFFFAOYSA-N 1 1 333.391 3.627 20 30 EHEDMO N#Cc1cccc(OCC[N@@H+](Cc2ccco2)Cc2cccnc2)c1 ZINC000180462503 1031856050 /nfs/dbraw/zinc/85/60/50/1031856050.db2.gz FZQQDSXDOLZIMK-UHFFFAOYSA-N 1 1 333.391 3.627 20 30 EHEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)CCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000594337353 1033308730 /nfs/dbraw/zinc/30/87/30/1033308730.db2.gz BUICIFOMMCTPAW-PKOBYXMFSA-N 1 1 349.425 3.689 20 30 EHEDMO CC(C)[N@H+]1CC[C@H](NC(=O)CCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000594337353 1033308744 /nfs/dbraw/zinc/30/87/44/1033308744.db2.gz BUICIFOMMCTPAW-PKOBYXMFSA-N 1 1 349.425 3.689 20 30 EHEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000598586140 1033312094 /nfs/dbraw/zinc/31/20/94/1033312094.db2.gz DNBWJYBGSVBZSW-TZIWHRDSSA-N 1 1 334.463 3.935 20 30 EHEDMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000603080625 1033348488 /nfs/dbraw/zinc/34/84/88/1033348488.db2.gz KJPJCBXXVPAMNH-UHFFFAOYSA-N 1 1 346.450 3.673 20 30 EHEDMO Cc1cccc(C(C)C)c1NC(=O)CO[NH+]=C(N)C1CCCCC1 ZINC000063458882 1033360274 /nfs/dbraw/zinc/36/02/74/1033360274.db2.gz HSIWVPZGIHILFG-UHFFFAOYSA-N 1 1 331.460 3.926 20 30 EHEDMO CC[NH+](CC)Cc1cn(Cc2ccc(-c3ccccc3C#N)cc2)nn1 ZINC000603189074 1033426628 /nfs/dbraw/zinc/42/66/28/1033426628.db2.gz FVPWYWFJNKZYPJ-UHFFFAOYSA-N 1 1 345.450 3.707 20 30 EHEDMO Cc1[nH+]cn(CCCCc2noc(/C=C/c3cccc(C#N)c3)n2)c1C ZINC000594534078 1033435635 /nfs/dbraw/zinc/43/56/35/1033435635.db2.gz HFAJEFOMYLRHJV-MDZDMXLPSA-N 1 1 347.422 3.948 20 30 EHEDMO Cc1nsc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000309675109 1033471487 /nfs/dbraw/zinc/47/14/87/1033471487.db2.gz VZBGPCNWIDXJLT-INIZCTEOSA-N 1 1 326.469 3.647 20 30 EHEDMO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC(C)(C)C#N ZINC000594611790 1033477124 /nfs/dbraw/zinc/47/71/24/1033477124.db2.gz KTBVDTDAMURBON-UHFFFAOYSA-N 1 1 347.260 3.583 20 30 EHEDMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000059356537 1033544222 /nfs/dbraw/zinc/54/42/22/1033544222.db2.gz SDNRVWZYQDQODI-UHFFFAOYSA-N 1 1 328.460 3.534 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cn(-c2ccccc2)nn1 ZINC000594931757 1033582506 /nfs/dbraw/zinc/58/25/06/1033582506.db2.gz HWGPCCXMVSNZKV-MRXNPFEDSA-N 1 1 343.434 3.673 20 30 EHEDMO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000450022780 1033603594 /nfs/dbraw/zinc/60/35/94/1033603594.db2.gz LXWANGAVURXYFU-OAQYLSRUSA-N 1 1 326.484 3.713 20 30 EHEDMO CC(C)O[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000593658818 1033634460 /nfs/dbraw/zinc/63/44/60/1033634460.db2.gz ICXBBTUNIVMDFW-HNNXBMFYSA-N 1 1 326.362 3.966 20 30 EHEDMO CC(C)O[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000593658818 1033634465 /nfs/dbraw/zinc/63/44/65/1033634465.db2.gz ICXBBTUNIVMDFW-HNNXBMFYSA-N 1 1 326.362 3.966 20 30 EHEDMO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c1C ZINC000608381846 1033661925 /nfs/dbraw/zinc/66/19/25/1033661925.db2.gz OQMGEKDRXLPUEB-OCCSQVGLSA-N 1 1 337.423 3.628 20 30 EHEDMO Cc1c(C#N)cccc1NC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000574992574 1033754189 /nfs/dbraw/zinc/75/41/89/1033754189.db2.gz PKWVXKDVFFINGC-OAQYLSRUSA-N 1 1 348.450 3.653 20 30 EHEDMO C#CCCCNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000174107155 1033755543 /nfs/dbraw/zinc/75/55/43/1033755543.db2.gz BTUKSTNOGRBSIH-UHFFFAOYSA-N 1 1 341.499 3.664 20 30 EHEDMO CC(C)[C@H](C#N)N1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000595397553 1033779214 /nfs/dbraw/zinc/77/92/14/1033779214.db2.gz LDLOHCHNJZZNPT-KRWDZBQOSA-N 1 1 337.920 3.598 20 30 EHEDMO COC(=O)c1cccc(C[NH2+][C@H](c2ccc(F)cc2)C(C)C)c1C#N ZINC000548856259 1033804717 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C[C@H]1Cc2ccccc2C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173801279 1035762083 /nfs/dbraw/zinc/76/20/83/1035762083.db2.gz RRMZBVLVJBPGOH-AWEZNQCLSA-N 1 1 330.391 3.555 20 30 EHEDMO C#C[C@H]([NH2+]Cc1cc(OC)c(O)c(OC)c1)c1ccc(Cl)cc1 ZINC000491303559 1035856574 /nfs/dbraw/zinc/85/65/74/1035856574.db2.gz BKXRMBHYEPFOOJ-HNNXBMFYSA-N 1 1 331.799 3.527 20 30 EHEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000442691191 1035873882 /nfs/dbraw/zinc/87/38/82/1035873882.db2.gz LLPVPDKHOCGKHF-ZDUSSCGKSA-N 1 1 325.368 3.668 20 30 EHEDMO Cn1cc([C@H]2C[N@@H+](Cc3ccc(C#N)cc3Cl)CC2(C)C)cn1 ZINC000582554900 1035885523 /nfs/dbraw/zinc/88/55/23/1035885523.db2.gz XNAWFOXQPOWRLX-MRXNPFEDSA-N 1 1 328.847 3.571 20 30 EHEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CCCCCC#N)CC1 ZINC000588341661 1035903046 /nfs/dbraw/zinc/90/30/46/1035903046.db2.gz QOZPZPOXMIIVHF-UHFFFAOYSA-N 1 1 341.499 3.831 20 30 EHEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCCCCC#N ZINC000588623764 1035917659 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EHEDMO COC(=O)c1cccc(C[N@H+](Cc2cccs2)C(C)C)c1C#N ZINC000535226024 1036214955 /nfs/dbraw/zinc/21/49/55/1036214955.db2.gz MWKKPCVFTPBQCR-UHFFFAOYSA-N 1 1 328.437 3.817 20 30 EHEDMO COC(=O)c1cccc(C[N@@H+](Cc2cccs2)C(C)C)c1C#N ZINC000535226024 1036214960 /nfs/dbraw/zinc/21/49/60/1036214960.db2.gz MWKKPCVFTPBQCR-UHFFFAOYSA-N 1 1 328.437 3.817 20 30 EHEDMO CC[N@H+](Cc1cccc(F)c1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000120122689 1036388790 /nfs/dbraw/zinc/38/87/90/1036388790.db2.gz YDVCQUTYYZKZNF-CQSZACIVSA-N 1 1 325.387 3.546 20 30 EHEDMO CC[N@@H+](Cc1cccc(F)c1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000120122689 1036388811 /nfs/dbraw/zinc/38/88/11/1036388811.db2.gz YDVCQUTYYZKZNF-CQSZACIVSA-N 1 1 325.387 3.546 20 30 EHEDMO CC(C)c1ccc(C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C2CC2)cc1 ZINC000572524405 1036400689 /nfs/dbraw/zinc/40/06/89/1036400689.db2.gz LMZNKFVVQKKGEY-UHFFFAOYSA-N 1 1 345.450 3.889 20 30 EHEDMO C=C[C@H](CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000535370507 1036404188 /nfs/dbraw/zinc/40/41/88/1036404188.db2.gz LVSVZOJARGCEPV-HXUWFJFHSA-N 1 1 348.490 3.999 20 30 EHEDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000589498144 1036439249 /nfs/dbraw/zinc/43/92/49/1036439249.db2.gz OEJHIYPZMCAYDC-CVEARBPZSA-N 1 1 326.362 3.702 20 30 EHEDMO N#Cc1c(Br)cccc1NCC[NH+]1Cc2ccccc2C1 ZINC000589566180 1036525096 /nfs/dbraw/zinc/52/50/96/1036525096.db2.gz IUTFOIMINSETFD-UHFFFAOYSA-N 1 1 342.240 3.748 20 30 EHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000589707385 1036602668 /nfs/dbraw/zinc/60/26/68/1036602668.db2.gz JVNUUWBUJCDSSJ-WIYYLYMNSA-N 1 1 339.479 3.890 20 30 EHEDMO Cc1cccc2c1ncc(C#N)c2N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000610411310 1036642843 /nfs/dbraw/zinc/64/28/43/1036642843.db2.gz KRYJBMNLMIFBGF-MSOLQXFVSA-N 1 1 334.467 3.866 20 30 EHEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@H]3C[C@H]3C2)sc2c1CCCCC2 ZINC000595807527 1036669530 /nfs/dbraw/zinc/66/95/30/1036669530.db2.gz KBJVMVYTYOBFLE-KBPBESRZSA-N 1 1 343.496 3.559 20 30 EHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ncc(C#N)cc1Cl ZINC000610468801 1036752662 /nfs/dbraw/zinc/75/26/62/1036752662.db2.gz BCFXWOSLBZYFGH-OAHLLOKOSA-N 1 1 340.858 3.707 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464776781 1036768846 /nfs/dbraw/zinc/76/88/46/1036768846.db2.gz SOWNZYYVOACODO-QZTJIDSGSA-N 1 1 346.540 3.914 20 30 EHEDMO Cn1c2ccccc2nc1[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000572987626 1036916206 /nfs/dbraw/zinc/91/62/06/1036916206.db2.gz RKYGGSZRLHJPRQ-WRWLIDTKSA-N 1 1 330.435 3.945 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000443645323 1036939357 /nfs/dbraw/zinc/93/93/57/1036939357.db2.gz AMAKRGUQVJWUSD-MCIONIFRSA-N 1 1 345.512 3.803 20 30 EHEDMO COc1cc(N[C@@H]2CCC[N@@H+](C[C@@H](C)CCC#N)C2)cc(OC)c1 ZINC000590593892 1036961539 /nfs/dbraw/zinc/96/15/39/1036961539.db2.gz KCCWWPTXDIUMHA-JKSUJKDBSA-N 1 1 331.460 3.520 20 30 EHEDMO CC(C)n1cc(C2=CCC[N@@H+](Cc3cc(C#N)ccc3F)CC2)nn1 ZINC000590612612 1036967822 /nfs/dbraw/zinc/96/78/22/1036967822.db2.gz QTRNPKBSWIEDSN-UHFFFAOYSA-N 1 1 339.418 3.549 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C1CC1 ZINC000152394416 1036992025 /nfs/dbraw/zinc/99/20/25/1036992025.db2.gz LWUHBWDLPDFERN-UHFFFAOYSA-N 1 1 335.407 3.773 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CCC(F)(F)F ZINC000104677506 1037080830 /nfs/dbraw/zinc/08/08/30/1037080830.db2.gz QTUVQWGDZGDQBI-LBPRGKRZSA-N 1 1 334.407 3.535 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CCC(F)(F)F ZINC000104677506 1037080842 /nfs/dbraw/zinc/08/08/42/1037080842.db2.gz QTUVQWGDZGDQBI-LBPRGKRZSA-N 1 1 334.407 3.535 20 30 EHEDMO C=CCCCN(C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376483791 1037162419 /nfs/dbraw/zinc/16/24/19/1037162419.db2.gz JTZFKXUMCZDZNR-QGZVFWFLSA-N 1 1 329.488 3.918 20 30 EHEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CC(=O)Nc2cccc(C#N)c2)c1 ZINC000542253870 1037202926 /nfs/dbraw/zinc/20/29/26/1037202926.db2.gz IUYAAEPUUPNNSR-QRWLVFNGSA-N 1 1 349.434 3.588 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000052561010 1037241027 /nfs/dbraw/zinc/24/10/27/1037241027.db2.gz WUUUYHGWYQSRAR-UHFFFAOYSA-N 1 1 349.434 3.560 20 30 EHEDMO C#CCOc1ccccc1C[NH2+][C@@H]1CCOc2ccc(OCC)cc21 ZINC000180900899 1037308463 /nfs/dbraw/zinc/30/84/63/1037308463.db2.gz PVVBURPGCKNQNR-LJQANCHMSA-N 1 1 337.419 3.711 20 30 EHEDMO C=CCOc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000539897890 1037333527 /nfs/dbraw/zinc/33/35/27/1037333527.db2.gz JPJBGXCAPXNTOC-FUHWJXTLSA-N 1 1 334.891 3.821 20 30 EHEDMO N#Cc1ccsc1NC(=O)CC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000177163385 1037403067 /nfs/dbraw/zinc/40/30/67/1037403067.db2.gz ZRBFVRZJUKSNOO-UHFFFAOYSA-N 1 1 345.390 3.613 20 30 EHEDMO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181147139 1037427215 /nfs/dbraw/zinc/42/72/15/1037427215.db2.gz AKJIERHOQFNGBI-OAHLLOKOSA-N 1 1 337.261 3.568 20 30 EHEDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181147139 1037427221 /nfs/dbraw/zinc/42/72/21/1037427221.db2.gz AKJIERHOQFNGBI-OAHLLOKOSA-N 1 1 337.261 3.568 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@@H+](CCCOCc2ccccc2)CC1 ZINC000573405612 1037508195 /nfs/dbraw/zinc/50/81/95/1037508195.db2.gz ALMNDFGVCVAJFM-UHFFFAOYSA-N 1 1 349.478 3.677 20 30 EHEDMO Cc1cccc(C[NH+]2CCN(c3c(Cl)cccc3C#N)CC2)c1 ZINC000462921651 1037562734 /nfs/dbraw/zinc/56/27/34/1037562734.db2.gz CLLHHHYJHLLKFC-UHFFFAOYSA-N 1 1 325.843 3.842 20 30 EHEDMO C=CCc1cc(C[NH+]2CC(c3ccccc3F)C2)cc(OC)c1O ZINC000463039894 1037680952 /nfs/dbraw/zinc/68/09/52/1037680952.db2.gz UCUVFZGSKOZXNW-UHFFFAOYSA-N 1 1 327.399 3.868 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000532578985 1037692051 /nfs/dbraw/zinc/69/20/51/1037692051.db2.gz YDCSXGPHPLVCHW-GPMSIDNRSA-N 1 1 333.435 3.763 20 30 EHEDMO N#Cc1cnc2c(Cl)cccc2c1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000591894020 1037703543 /nfs/dbraw/zinc/70/35/43/1037703543.db2.gz ASESPFHHJXXAHQ-GFCCVEGCSA-N 1 1 326.831 3.656 20 30 EHEDMO CC(C)(C#N)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132926 1037842247 /nfs/dbraw/zinc/84/22/47/1037842247.db2.gz PTOUJEONAWAZCA-QAQDUYKDSA-N 1 1 345.443 3.640 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c(Br)c1 ZINC000592134905 1037843738 /nfs/dbraw/zinc/84/37/38/1037843738.db2.gz SGYAAVOFDQOCDP-NVXWUHKLSA-N 1 1 349.272 3.712 20 30 EHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2C#N)C1 ZINC000463189543 1037853443 /nfs/dbraw/zinc/85/34/43/1037853443.db2.gz BUNBOMRDPZRHDA-DPZWOIPNSA-N 1 1 330.447 3.849 20 30 EHEDMO COCC[N@@H+](CCOc1c(C)cccc1C)Cc1ccc(C#N)cc1 ZINC000058397887 1037900964 /nfs/dbraw/zinc/90/09/64/1037900964.db2.gz GYGFRVSEFAENRB-UHFFFAOYSA-N 1 1 338.451 3.703 20 30 EHEDMO COC(=O)c1cccc(C[NH2+]C2(c3ccc(C)cc3)CCC2)c1C#N ZINC000592189463 1037926385 /nfs/dbraw/zinc/92/63/85/1037926385.db2.gz VLRHPDGRNNVLGC-UHFFFAOYSA-N 1 1 334.419 3.822 20 30 EHEDMO C=C(C)CN(C)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000378119436 1037943717 /nfs/dbraw/zinc/94/37/17/1037943717.db2.gz YZSZAFNLOVRPPP-LJQANCHMSA-N 1 1 329.488 3.506 20 30 EHEDMO C[N@@H+](CCC(C)(C)C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000592522542 1038019484 /nfs/dbraw/zinc/01/94/84/1038019484.db2.gz FGBIFDOYDAQUFS-UHFFFAOYSA-N 1 1 325.460 3.727 20 30 EHEDMO C=CC[N@@H+](Cc1cc(-c2cnn(C)c2C)no1)Cc1cccs1 ZINC000184400823 1038038022 /nfs/dbraw/zinc/03/80/22/1038038022.db2.gz OYSGFKAPDJGJNK-UHFFFAOYSA-N 1 1 328.441 3.633 20 30 EHEDMO C=CC[N@H+](Cc1cc(-c2cnn(C)c2C)no1)Cc1cccs1 ZINC000184400823 1038038046 /nfs/dbraw/zinc/03/80/46/1038038046.db2.gz OYSGFKAPDJGJNK-UHFFFAOYSA-N 1 1 328.441 3.633 20 30 EHEDMO C[N@H+]1Cc2ccccc2[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000378266825 1038344742 /nfs/dbraw/zinc/34/47/42/1038344742.db2.gz BYXXZNWJVDODTC-AWEZNQCLSA-N 1 1 332.329 3.571 20 30 EHEDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000378266825 1038344757 /nfs/dbraw/zinc/34/47/57/1038344757.db2.gz BYXXZNWJVDODTC-AWEZNQCLSA-N 1 1 332.329 3.571 20 30 EHEDMO Cc1ccnc(NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1C#N ZINC000541278327 1038422520 /nfs/dbraw/zinc/42/25/20/1038422520.db2.gz JECWOCIEAKTNGO-MJGOQNOKSA-N 1 1 334.467 3.974 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000378342964 1038488875 /nfs/dbraw/zinc/48/88/75/1038488875.db2.gz RBNSVURMEBVUNK-NRFANRHFSA-N 1 1 335.451 3.610 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000378342964 1038488884 /nfs/dbraw/zinc/48/88/84/1038488884.db2.gz RBNSVURMEBVUNK-NRFANRHFSA-N 1 1 335.451 3.610 20 30 EHEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(CCC)Cc1ccc(C#N)cc1 ZINC000461800070 1038615756 /nfs/dbraw/zinc/61/57/56/1038615756.db2.gz ZGJHHNQMSBYSCG-KRWDZBQOSA-N 1 1 344.503 3.600 20 30 EHEDMO CC[C@H](C)c1nnc([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[nH]1 ZINC000330201006 1038634703 /nfs/dbraw/zinc/63/47/03/1038634703.db2.gz XECOCOJMIKCHNH-YDHLFZDLSA-N 1 1 333.480 3.743 20 30 EHEDMO CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)n[nH]1 ZINC000330201006 1038634705 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EHEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2CC2CCCCC2)cc1 ZINC000488443719 1039172571 /nfs/dbraw/zinc/17/25/71/1039172571.db2.gz VDXCYJHGLBNEAD-HXUWFJFHSA-N 1 1 339.483 3.609 20 30 EHEDMO C[C@@H]1CN(c2cccc(Br)c2C#N)CC[N@H+](C2CCC2)C1 ZINC000488715192 1039353022 /nfs/dbraw/zinc/35/30/22/1039353022.db2.gz QBWLSDBETSZYDF-ZDUSSCGKSA-N 1 1 348.288 3.631 20 30 EHEDMO CCC[N@@H+](CC)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000488767057 1039389692 /nfs/dbraw/zinc/38/96/92/1039389692.db2.gz YSCADJMMYPZLIF-ZDUSSCGKSA-N 1 1 333.501 3.805 20 30 EHEDMO Cc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000053279218 1039779369 /nfs/dbraw/zinc/77/93/69/1039779369.db2.gz SHKDKPBCIVIULU-INIZCTEOSA-N 1 1 325.437 3.704 20 30 EHEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000053279218 1039779389 /nfs/dbraw/zinc/77/93/89/1039779389.db2.gz SHKDKPBCIVIULU-INIZCTEOSA-N 1 1 325.437 3.704 20 30 EHEDMO CCCc1c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnn1-c1cccc(C#N)c1 ZINC000893900817 1039796455 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EHEDMO CN1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000614177135 1040378442 /nfs/dbraw/zinc/37/84/42/1040378442.db2.gz MHMUYHUOSRFUIQ-OAQYLSRUSA-N 1 1 333.479 3.976 20 30 EHEDMO C=CC[C@H](C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000490204897 1040388805 /nfs/dbraw/zinc/38/88/05/1040388805.db2.gz RZHCGJIPQDMUFX-COPCDDAFSA-N 1 1 348.490 3.983 20 30 EHEDMO N#CCCC[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccccc1 ZINC000433021080 1040476226 /nfs/dbraw/zinc/47/62/26/1040476226.db2.gz PTEUQZCIERWJSY-IBGZPJMESA-N 1 1 331.423 3.792 20 30 EHEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)NCc1ccccc1F ZINC000411142496 1040494034 /nfs/dbraw/zinc/49/40/34/1040494034.db2.gz XDLVJISJRGHRMQ-CQSZACIVSA-N 1 1 332.444 3.580 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)NCc1ccccc1F ZINC000411142496 1040494044 /nfs/dbraw/zinc/49/40/44/1040494044.db2.gz XDLVJISJRGHRMQ-CQSZACIVSA-N 1 1 332.444 3.580 20 30 EHEDMO C=C(C)C[N@H+](C)CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000481211873 1040497985 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CCCC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C1CC1 ZINC000051854721 1040824698 /nfs/dbraw/zinc/82/46/98/1040824698.db2.gz IVNLENCFYASSRQ-UHFFFAOYSA-N 1 1 327.472 3.815 20 30 EHEDMO N#CC1(CC[NH+]2CCC(CCCN3CCOCC3)CC2)CCCCC1 ZINC000411504319 1040922313 /nfs/dbraw/zinc/92/23/13/1040922313.db2.gz ZAIJBJYYTBDZAB-UHFFFAOYSA-N 1 1 347.547 3.675 20 30 EHEDMO N#CCc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000555721307 1041059061 /nfs/dbraw/zinc/05/90/61/1041059061.db2.gz JJNVRZRXGXDZPU-LJQANCHMSA-N 1 1 326.827 3.980 20 30 EHEDMO N#CCc1ccc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000555721307 1041059076 /nfs/dbraw/zinc/05/90/76/1041059076.db2.gz JJNVRZRXGXDZPU-LJQANCHMSA-N 1 1 326.827 3.980 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000481580454 1041109636 /nfs/dbraw/zinc/10/96/36/1041109636.db2.gz KEKXYGQPWTYWLA-KBXCAEBGSA-N 1 1 334.410 3.761 20 30 EHEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCC1CCCCC1)c1ccc(F)c(F)c1 ZINC000481610162 1041136584 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EHEDMO CN1CCN(c2cccc(Cl)c2C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000344529617 1044104812 /nfs/dbraw/zinc/10/48/12/1044104812.db2.gz CEKPNCNXXSHOHV-UHFFFAOYSA-N 1 1 348.922 3.511 20 30 EHEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc(Cl)cc1-n1cncn1 ZINC000279532531 1044184720 /nfs/dbraw/zinc/18/47/20/1044184720.db2.gz CAWGFWUNFSAOBQ-UHFFFAOYSA-N 1 1 331.851 3.682 20 30 EHEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc(Cl)cc1-n1cncn1 ZINC000279532531 1044184725 /nfs/dbraw/zinc/18/47/25/1044184725.db2.gz CAWGFWUNFSAOBQ-UHFFFAOYSA-N 1 1 331.851 3.682 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000279787527 1044658258 /nfs/dbraw/zinc/65/82/58/1044658258.db2.gz OCOXBXKHQYENGU-HOTGVXAUSA-N 1 1 348.512 3.529 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000279787527 1044658267 /nfs/dbraw/zinc/65/82/67/1044658267.db2.gz OCOXBXKHQYENGU-HOTGVXAUSA-N 1 1 348.512 3.529 20 30 EHEDMO C=CCOc1ccccc1C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000620199622 1125508316 /nfs/dbraw/zinc/50/83/16/1125508316.db2.gz DZBDVFQOCDVNHC-UHFFFAOYSA-N 1 1 330.472 3.588 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCOCC(F)(F)F ZINC000076153475 1125537578 /nfs/dbraw/zinc/53/75/78/1125537578.db2.gz JMPDGMXHPHYZIU-HOTGVXAUSA-N 1 1 326.362 3.727 20 30 EHEDMO CC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072608959 1126797956 /nfs/dbraw/zinc/79/79/56/1126797956.db2.gz QNBNOQXFXNGVSC-INIZCTEOSA-N 1 1 331.485 3.751 20 30 EHEDMO C#CC[N@H+](C[C@H](O)CO[C@H](c1ccccc1)c1ccccc1C)C1CC1 ZINC000763948629 1126952503 /nfs/dbraw/zinc/95/25/03/1126952503.db2.gz CGSKNXVIWIIILB-JTHBVZDNSA-N 1 1 349.474 3.560 20 30 EHEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000185618738 1126959223 /nfs/dbraw/zinc/95/92/23/1126959223.db2.gz SVDOIDMTLLXWLF-SWLSCSKDSA-N 1 1 331.485 3.557 20 30 EHEDMO C=CC[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000623699052 1127029176 /nfs/dbraw/zinc/02/91/76/1127029176.db2.gz HDVHHZWXEXBRIZ-GGPKGHCWSA-N 1 1 341.499 3.647 20 30 EHEDMO COC(=O)[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000083029162 1127096486 /nfs/dbraw/zinc/09/64/86/1127096486.db2.gz FHUYZNMGDKZBOY-FQEVSTJZSA-N 1 1 349.434 3.875 20 30 EHEDMO COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@H](C)C#N)cc2)c1 ZINC000183819898 1127387774 /nfs/dbraw/zinc/38/77/74/1127387774.db2.gz DSDPBBSDKBTIOY-CQSZACIVSA-N 1 1 326.396 3.745 20 30 EHEDMO C[C@@H]1CC(N=Nc2ncnc3ccsc32)C[N@H+]1Cc1ccccc1 ZINC000764839978 1127540955 /nfs/dbraw/zinc/54/09/55/1127540955.db2.gz DIBAEGNAZZCJTK-CYBMUJFWSA-N 1 1 337.452 3.754 20 30 EHEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=NOCC(F)(F)F)c1C ZINC000764836762 1127541263 /nfs/dbraw/zinc/54/12/63/1127541263.db2.gz YXZPHKUVIZLBAI-OAHLLOKOSA-N 1 1 331.382 3.502 20 30 EHEDMO C=CCn1c(-c2ccccn2)nn(C[N@@H+](CC)C[C@@H](C)CC)c1=S ZINC000765061254 1127570880 /nfs/dbraw/zinc/57/08/80/1127570880.db2.gz LRYJZQRHGQJAQD-HNNXBMFYSA-N 1 1 345.516 3.988 20 30 EHEDMO C=CCn1c(-c2ccccn2)nn(C[N@H+](CC)C[C@@H](C)CC)c1=S ZINC000765061254 1127570882 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N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000347656945 1128518830 /nfs/dbraw/zinc/51/88/30/1128518830.db2.gz UGINGSGEQSLFAY-UHFFFAOYSA-N 1 1 335.382 3.766 20 30 EHEDMO CC[N@@H+](C)Cc1cccc(CNc2nc3c(cc2C#N)CCCC3)c1 ZINC000301976683 1128613793 /nfs/dbraw/zinc/61/37/93/1128613793.db2.gz DUKKEQWDOWXHOG-UHFFFAOYSA-N 1 1 334.467 3.896 20 30 EHEDMO CC[N@@H+]1CC[C@@H](Nc2ncccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301985429 1128614283 /nfs/dbraw/zinc/61/42/83/1128614283.db2.gz LREWXJVKCLMIOF-IAGOWNOFSA-N 1 1 344.821 3.993 20 30 EHEDMO CC[N@H+]1CC[C@@H](Nc2ncccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301985429 1128614286 /nfs/dbraw/zinc/61/42/86/1128614286.db2.gz LREWXJVKCLMIOF-IAGOWNOFSA-N 1 1 344.821 3.993 20 30 EHEDMO CC(C)[N@H+]1CC[C@@H](Nc2ncccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000302041808 1128616718 /nfs/dbraw/zinc/61/67/18/1128616718.db2.gz RSWBDUNKUWCGTF-QZTJIDSGSA-N 1 1 342.393 3.867 20 30 EHEDMO Cc1nnc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(C#N)c1C ZINC000301417420 1128590556 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1128650474 /nfs/dbraw/zinc/65/04/74/1128650474.db2.gz UJKFLYZQBODASO-ZWKOTPCHSA-N 1 1 331.341 3.833 20 30 EHEDMO CCc1[nH]nc(Cl)c1C[NH2+]Cc1cccc(O[C@@H](C#N)CC)c1 ZINC000921741363 1128706311 /nfs/dbraw/zinc/70/63/11/1128706311.db2.gz FIOBOYAUXQFDBZ-CYBMUJFWSA-N 1 1 332.835 3.596 20 30 EHEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000303861037 1128704322 /nfs/dbraw/zinc/70/43/22/1128704322.db2.gz OYVTUAMJODJSTI-OAHLLOKOSA-N 1 1 347.890 3.545 20 30 EHEDMO C[C@H]1CCN(Cc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000361825099 1128715956 /nfs/dbraw/zinc/71/59/56/1128715956.db2.gz IZBYYAVCRYUKET-KRWDZBQOSA-N 1 1 337.442 3.794 20 30 EHEDMO COc1ccc([C@@H]2C[C@H]([N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)CCO2)cc1 ZINC001168661967 1128728530 /nfs/dbraw/zinc/72/85/30/1128728530.db2.gz CJKUXIKKUKJKMS-NWDGLCLDSA-N 1 1 326.440 3.682 20 30 EHEDMO N#Cc1ccnc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000309865378 1128916375 /nfs/dbraw/zinc/91/63/75/1128916375.db2.gz FHCXPXJBKJBGIF-OAHLLOKOSA-N 1 1 326.831 3.541 20 30 EHEDMO C=CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000250127675 1120954696 /nfs/dbraw/zinc/95/46/96/1120954696.db2.gz WMBGRTLIZDBCNP-PWRODBHTSA-N 1 1 334.463 3.908 20 30 EHEDMO C[C@@H]1CC(N=Nc2nc3cc(C(F)(F)F)ccc3s2)C[N@@H+]1C ZINC000761811122 1120955895 /nfs/dbraw/zinc/95/58/95/1120955895.db2.gz CQZDJJPEHJHWJZ-MRVPVSSYSA-N 1 1 328.363 3.807 20 30 EHEDMO C[C@@H]1CC(N=Nc2nc3cc(C(F)(F)F)ccc3s2)C[N@H+]1C ZINC000761811122 1120955897 /nfs/dbraw/zinc/95/58/97/1120955897.db2.gz CQZDJJPEHJHWJZ-MRVPVSSYSA-N 1 1 328.363 3.807 20 30 EHEDMO C=CCn1c(-c2ccncc2)nn(C[N@@H+](CC2CC2)C(C)C)c1=S ZINC000915209518 1121253278 /nfs/dbraw/zinc/25/32/78/1121253278.db2.gz ZIGHSTOYBJWVQC-UHFFFAOYSA-N 1 1 343.500 3.740 20 30 EHEDMO C=CCn1c(-c2ccncc2)nn(C[N@H+](CC2CC2)C(C)C)c1=S ZINC000915209518 1121253284 /nfs/dbraw/zinc/25/32/84/1121253284.db2.gz ZIGHSTOYBJWVQC-UHFFFAOYSA-N 1 1 343.500 3.740 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000495653501 1121338643 /nfs/dbraw/zinc/33/86/43/1121338643.db2.gz BUEUMJNZGGNYHF-IBGZPJMESA-N 1 1 337.508 3.943 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(Br)ncc1F ZINC000762731779 1121430590 /nfs/dbraw/zinc/43/05/90/1121430590.db2.gz FLCNTRBGBOLACZ-SNVBAGLBSA-N 1 1 334.192 3.706 20 30 EHEDMO C[NH+](C)[C@@H](CNCc1cccc(OCCCC#N)c1)C1CCCCC1 ZINC000237165067 1121475303 /nfs/dbraw/zinc/47/53/03/1121475303.db2.gz CSPBLHBZKLJYPD-NRFANRHFSA-N 1 1 343.515 3.969 20 30 EHEDMO CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000193760999 1121621725 /nfs/dbraw/zinc/62/17/25/1121621725.db2.gz WZCAQPCTRGVKBL-IRXDYDNUSA-N 1 1 335.451 3.819 20 30 EHEDMO N#Cc1cc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cs1 ZINC000921990628 1129007515 /nfs/dbraw/zinc/00/75/15/1129007515.db2.gz IKJAJYLOXOHCCW-YZGWKJHDSA-N 1 1 337.492 3.620 20 30 EHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1nc2ccccc2s1 ZINC000282129145 1121873276 /nfs/dbraw/zinc/87/32/76/1121873276.db2.gz YNZXNXGCCHTYDL-UHFFFAOYSA-N 1 1 329.469 3.829 20 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EHEDMO C=CC[NH+](CC=C)[C@H](CN[C@@H](C)c1cn2ccccc2n1)C(C)C ZINC000556236323 1122889829 /nfs/dbraw/zinc/88/98/29/1122889829.db2.gz QJTWAHISMSOTCK-PKOBYXMFSA-N 1 1 326.488 3.684 20 30 EHEDMO CC(C)C[N@H+](CC(=O)NC1(C#N)CCC1)[C@@H](C)c1ccccc1Cl ZINC000556514418 1123010062 /nfs/dbraw/zinc/01/00/62/1123010062.db2.gz DLKMPOUAWCWACH-HNNXBMFYSA-N 1 1 347.890 3.921 20 30 EHEDMO CC(C)C[N@@H+](CC(=O)NC1(C#N)CCC1)[C@@H](C)c1ccccc1Cl ZINC000556514418 1123010067 /nfs/dbraw/zinc/01/00/67/1123010067.db2.gz DLKMPOUAWCWACH-HNNXBMFYSA-N 1 1 347.890 3.921 20 30 EHEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000194959724 1123093395 /nfs/dbraw/zinc/09/33/95/1123093395.db2.gz XDIDDJABPVVMRU-UHFFFAOYSA-N 1 1 337.379 3.640 20 30 EHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000076735312 1123516795 /nfs/dbraw/zinc/51/67/95/1123516795.db2.gz QMFPVEVSPLWQQA-ZDUSSCGKSA-N 1 1 339.277 3.983 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](c3ccco3)C2)cc1Cl ZINC000609540104 1123607483 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RQOASJSSSHSANK-UHFFFAOYSA-N 1 1 341.838 3.757 20 30 EHEDMO C#CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)CCCCC1 ZINC001169150952 1132679266 /nfs/dbraw/zinc/67/92/66/1132679266.db2.gz XIRWWIOLKBVMKV-HXUWFJFHSA-N 1 1 338.495 3.659 20 30 EHEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)cc1 ZINC001169196679 1132688830 /nfs/dbraw/zinc/68/88/30/1132688830.db2.gz HHEVKXVYUMBTMC-FQEVSTJZSA-N 1 1 332.447 3.794 20 30 EHEDMO Cn1cc([C@H]([NH2+]Cc2cc(Cl)cc(C#N)c2)c2ccccc2)cn1 ZINC001169219139 1132698553 /nfs/dbraw/zinc/69/85/53/1132698553.db2.gz WGYBHMNNSBECBR-LJQANCHMSA-N 1 1 336.826 3.824 20 30 EHEDMO C=CCn1ccc2c1nc[nH+]c2NCc1c(=O)[nH]c(C)c2c1CCCC2 ZINC001169398876 1132746835 /nfs/dbraw/zinc/74/68/35/1132746835.db2.gz DSNLPQJEFSOOAB-UHFFFAOYSA-N 1 1 349.438 3.517 20 30 EHEDMO CCc1ccc(C[NH+]2CCN(Cc3cccc(C#N)c3F)CC2)cc1 ZINC001175750316 1132752260 /nfs/dbraw/zinc/75/22/60/1132752260.db2.gz UACPYBJRFVTSQZ-UHFFFAOYSA-N 1 1 337.442 3.578 20 30 EHEDMO CC(C)(C)n1cc(C#N)cc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175857675 1132786021 /nfs/dbraw/zinc/78/60/21/1132786021.db2.gz XYAANXNBTSUMIX-UHFFFAOYSA-N 1 1 338.455 3.691 20 30 EHEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001204165201 1132809565 /nfs/dbraw/zinc/80/95/65/1132809565.db2.gz UKZUCBBHXZURQR-OAHLLOKOSA-N 1 1 342.361 3.582 20 30 EHEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccccc3OC(F)F)sc2C1 ZINC001176010658 1132818590 /nfs/dbraw/zinc/81/85/90/1132818590.db2.gz ZJBCFLGEMDNXLK-UHFFFAOYSA-N 1 1 335.379 3.953 20 30 EHEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCCC[C@H]2CC2(O)CCCCC2)c1 ZINC001176063458 1132838986 /nfs/dbraw/zinc/83/89/86/1132838986.db2.gz ZAIGSYFUEZMQIX-PMACEKPBSA-N 1 1 342.483 3.531 20 30 EHEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC001176771931 1133000559 /nfs/dbraw/zinc/00/05/59/1133000559.db2.gz YIECWPZKGVEZJG-INIZCTEOSA-N 1 1 327.424 3.992 20 30 EHEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 ZINC001176813491 1133001400 /nfs/dbraw/zinc/00/14/00/1133001400.db2.gz BTHGFSQXJZEMKS-LJQANCHMSA-N 1 1 326.484 3.951 20 30 EHEDMO COc1cc(C[NH2+]CC2(N3CCCCC3)CCCCC2)ccc1C#N ZINC001177108483 1133031916 /nfs/dbraw/zinc/03/19/16/1133031916.db2.gz AXSWJDUHNKJGOR-UHFFFAOYSA-N 1 1 341.499 3.845 20 30 EHEDMO COCC[C@@H]1CCCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000767938329 1133073759 /nfs/dbraw/zinc/07/37/59/1133073759.db2.gz ADZRMGWAPJRQRZ-HNNXBMFYSA-N 1 1 336.863 3.881 20 30 EHEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC001179845372 1133289908 /nfs/dbraw/zinc/28/99/08/1133289908.db2.gz RLIDTRLTDLYMAQ-FQEVSTJZSA-N 1 1 339.870 3.765 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](Cc2ccc(C#N)s2)C2CC2)C1 ZINC000769531872 1133309639 /nfs/dbraw/zinc/30/96/39/1133309639.db2.gz YWEGVHPINQSTTN-AWEZNQCLSA-N 1 1 347.484 3.594 20 30 EHEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC000770333031 1133406248 /nfs/dbraw/zinc/40/62/48/1133406248.db2.gz VOMCUIANRBRUKT-SFHVURJKSA-N 1 1 343.467 3.642 20 30 EHEDMO CCOc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(O)c1 ZINC000770380519 1133416662 /nfs/dbraw/zinc/41/66/62/1133416662.db2.gz NKRZNCXYLUPTOQ-UHFFFAOYSA-N 1 1 334.419 3.952 20 30 EHEDMO C#CCOc1ccccc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000770381572 1133417102 /nfs/dbraw/zinc/41/71/02/1133417102.db2.gz RYINXYZFYOYOGZ-UHFFFAOYSA-N 1 1 328.415 3.860 20 30 EHEDMO CCCCCCC[C@@H](C)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001181122545 1133455876 /nfs/dbraw/zinc/45/58/76/1133455876.db2.gz MHZILPDICXZUPX-LJQANCHMSA-N 1 1 345.531 3.765 20 30 EHEDMO C#CC[C@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3n2C)C1 ZINC000829810901 1133502646 /nfs/dbraw/zinc/50/26/46/1133502646.db2.gz VXSFSPFVTHOORL-ZDUSSCGKSA-N 1 1 346.272 3.571 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC001204302139 1133504696 /nfs/dbraw/zinc/50/46/96/1133504696.db2.gz DAPBSBADWGHCLP-KRWDZBQOSA-N 1 1 331.456 3.805 20 30 EHEDMO C[N@H+](Cc1ccccc1)[C@H](C(=O)NCCCCC#N)c1ccccc1 ZINC001182245597 1133600497 /nfs/dbraw/zinc/60/04/97/1133600497.db2.gz QXRBZZNHGIQMEL-FQEVSTJZSA-N 1 1 335.451 3.670 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@H](C(=O)NCCCCC#N)c1ccccc1 ZINC001182245597 1133600499 /nfs/dbraw/zinc/60/04/99/1133600499.db2.gz QXRBZZNHGIQMEL-FQEVSTJZSA-N 1 1 335.451 3.670 20 30 EHEDMO C#CC1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)Cc2ccccc2)CC1 ZINC001182242164 1133606531 /nfs/dbraw/zinc/60/65/31/1133606531.db2.gz WKVYANOUNVPHMK-QFIPXVFZSA-N 1 1 346.474 3.732 20 30 EHEDMO C#CC1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)Cc2ccccc2)CC1 ZINC001182242164 1133606534 /nfs/dbraw/zinc/60/65/34/1133606534.db2.gz WKVYANOUNVPHMK-QFIPXVFZSA-N 1 1 346.474 3.732 20 30 EHEDMO N#Cc1ccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000774128648 1133619262 /nfs/dbraw/zinc/61/92/62/1133619262.db2.gz CIDFHKRHVSGFMN-DKUWSORSSA-N 1 1 331.463 3.843 20 30 EHEDMO N#Cc1ccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000774128648 1133619266 /nfs/dbraw/zinc/61/92/66/1133619266.db2.gz CIDFHKRHVSGFMN-DKUWSORSSA-N 1 1 331.463 3.843 20 30 EHEDMO C#CCOc1cccc(-c2noc([C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)n2)c1 ZINC000785585674 1133723320 /nfs/dbraw/zinc/72/33/20/1133723320.db2.gz MZEOQGOXXWOLDY-QLFBSQMISA-N 1 1 325.412 3.682 20 30 EHEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000785617363 1133732863 /nfs/dbraw/zinc/73/28/63/1133732863.db2.gz LQKMQPRKYSRCNP-QGZVFWFLSA-N 1 1 327.771 3.897 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCOCC3(CCCC3)C2)c1O ZINC000774656000 1133833820 /nfs/dbraw/zinc/83/38/20/1133833820.db2.gz AKNRBAPSVLUYJW-UHFFFAOYSA-N 1 1 331.456 3.522 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c1F ZINC000774661363 1133838776 /nfs/dbraw/zinc/83/87/76/1133838776.db2.gz WLWYMHGHNSDHHE-JKSUJKDBSA-N 1 1 330.428 3.847 20 30 EHEDMO CCN(C(=O)OC(C)(C)C)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001184449498 1133937618 /nfs/dbraw/zinc/93/76/18/1133937618.db2.gz DSNMWUVPFMNGSO-UHFFFAOYSA-N 1 1 342.483 3.760 20 30 EHEDMO C=C1CC(C)(C(=O)N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)C1 ZINC001184783993 1133989700 /nfs/dbraw/zinc/98/97/00/1133989700.db2.gz VHIZZFOKCDQJFC-NRFANRHFSA-N 1 1 342.458 3.749 20 30 EHEDMO C=C1CC(C)(C(=O)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)C1 ZINC001184783993 1133989704 /nfs/dbraw/zinc/98/97/04/1133989704.db2.gz VHIZZFOKCDQJFC-NRFANRHFSA-N 1 1 342.458 3.749 20 30 EHEDMO C=C1CC(C)(C(=O)N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)C1 ZINC001184783994 1133990209 /nfs/dbraw/zinc/99/02/09/1133990209.db2.gz VHIZZFOKCDQJFC-OAQYLSRUSA-N 1 1 342.458 3.749 20 30 EHEDMO C=C1CC(C)(C(=O)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)C1 ZINC001184783994 1133990212 /nfs/dbraw/zinc/99/02/12/1133990212.db2.gz VHIZZFOKCDQJFC-OAQYLSRUSA-N 1 1 342.458 3.749 20 30 EHEDMO C=C1CC(C)(C(=O)N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001184787563 1133990641 /nfs/dbraw/zinc/99/06/41/1133990641.db2.gz RBKCQTLQIHBJSX-UHFFFAOYSA-N 1 1 330.447 3.605 20 30 EHEDMO C#CCC1(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CCCCC1 ZINC000788238537 1134098309 /nfs/dbraw/zinc/09/83/09/1134098309.db2.gz PHFVQFCVUBOGSO-GOSISDBHSA-N 1 1 326.484 3.597 20 30 EHEDMO Cc1ccc(C#N)c(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001187870371 1134396439 /nfs/dbraw/zinc/39/64/39/1134396439.db2.gz AJHHCKQUZYQLAU-QHAWAJNXSA-N 1 1 346.478 3.974 20 30 EHEDMO CCCCCCCCS(=O)(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC001188020640 1134417311 /nfs/dbraw/zinc/41/73/11/1134417311.db2.gz BHMPDWOVIGHHIN-SFHVURJKSA-N 1 1 340.533 3.569 20 30 EHEDMO COc1cccc(O)c1C=Nc1ccccc1C[NH+]1CCSCC1 ZINC000747033389 1134590496 /nfs/dbraw/zinc/59/04/96/1134590496.db2.gz RIYYAQAVKTVTAA-UHFFFAOYSA-N 1 1 342.464 3.700 20 30 EHEDMO C(#Cc1ccccc1)CN1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000792219333 1134668209 /nfs/dbraw/zinc/66/82/09/1134668209.db2.gz YFKLTSFXGQSZNS-UHFFFAOYSA-N 1 1 332.491 3.679 20 30 EHEDMO Fc1ccc(C2([NH2+]CC#Cc3ccccc3)CCOCC2)c(F)c1 ZINC000792273355 1134676134 /nfs/dbraw/zinc/67/61/34/1134676134.db2.gz VLSJKOMBRYQTCH-UHFFFAOYSA-N 1 1 327.374 3.612 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@@H+](C2CC2)C2CCCCC2)cc1Cl ZINC001190517782 1134710801 /nfs/dbraw/zinc/71/08/01/1134710801.db2.gz BCTDFDGUDRPRHA-UHFFFAOYSA-N 1 1 331.847 3.947 20 30 EHEDMO N#Cc1ccc(CNc2c[nH+]c3c(Br)cccn23)s1 ZINC001170202917 1134714338 /nfs/dbraw/zinc/71/43/38/1134714338.db2.gz ILPLCDWRMVQSSY-UHFFFAOYSA-N 1 1 333.214 3.642 20 30 EHEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@H](C)Cc3ccccc3Cl)C2)C1=O ZINC001170278664 1134740755 /nfs/dbraw/zinc/74/07/55/1134740755.db2.gz WUTWELXMZXNMPZ-OXQOHEQNSA-N 1 1 346.902 3.772 20 30 EHEDMO COc1nc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1C#N ZINC001170330040 1134749121 /nfs/dbraw/zinc/74/91/21/1134749121.db2.gz GAMUYQVSDNLSHA-LDLYASANSA-N 1 1 348.450 3.569 20 30 EHEDMO CCOC(=O)[C@H](CC(C)C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170359452 1134755961 /nfs/dbraw/zinc/75/59/61/1134755961.db2.gz YNWRVZOKJGPGIF-SCCNAQOGSA-N 1 1 342.483 3.958 20 30 EHEDMO COC(=O)[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(C)(C)C ZINC001170359799 1134756050 /nfs/dbraw/zinc/75/60/50/1134756050.db2.gz GRHXMZOUEMRMRZ-OHTSDLOESA-N 1 1 328.456 3.568 20 30 EHEDMO C#C[C@@H](CC)[NH2+][C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000792640276 1134756935 /nfs/dbraw/zinc/75/69/35/1134756935.db2.gz BAEGNRVJBVASOO-FXAWDEMLSA-N 1 1 336.435 3.685 20 30 EHEDMO C=CCc1cc(C)c[nH+]c1NCC1CCN(C(=O)C(C)(C)C)CC1 ZINC001170349609 1134760371 /nfs/dbraw/zinc/76/03/71/1134760371.db2.gz QXUBILVXYGTGIR-UHFFFAOYSA-N 1 1 329.488 3.815 20 30 EHEDMO N#CC1(c2ccccc2)CCC([N@@H+]2CCO[C@H](c3ccncc3)C2)CC1 ZINC001170394867 1134762947 /nfs/dbraw/zinc/76/29/47/1134762947.db2.gz CXILUVOKZQZKNE-ORFBVSJDSA-N 1 1 347.462 3.859 20 30 EHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCO[C@H](c3ccncc3)C2)CC1 ZINC001170394867 1134762954 /nfs/dbraw/zinc/76/29/54/1134762954.db2.gz CXILUVOKZQZKNE-ORFBVSJDSA-N 1 1 347.462 3.859 20 30 EHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@](F)(CO)CC2)CC1 ZINC001170379424 1134767473 /nfs/dbraw/zinc/76/74/73/1134767473.db2.gz XTNATOUSDWQWDM-SOAGJPPSSA-N 1 1 330.447 3.577 20 30 EHEDMO CCCCCCCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001191112914 1134795343 /nfs/dbraw/zinc/79/53/43/1134795343.db2.gz OQBNIWDVMUYHRA-IBGZPJMESA-N 1 1 331.504 3.778 20 30 EHEDMO C#Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001191128742 1134798303 /nfs/dbraw/zinc/79/83/03/1134798303.db2.gz PFKAAUUJXTUOPN-OAQYLSRUSA-N 1 1 346.474 3.698 20 30 EHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001191134512 1134809218 /nfs/dbraw/zinc/80/92/18/1134809218.db2.gz YVRXRDNIOHUGIE-QPIRBTGLSA-N 1 1 333.520 3.984 20 30 EHEDMO C#CC[C@@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000792877013 1134811033 /nfs/dbraw/zinc/81/10/33/1134811033.db2.gz PLOZTZSGKCLHHF-DHIUTWEWSA-N 1 1 348.490 3.632 20 30 EHEDMO C#CC[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1 ZINC000792877013 1134811038 /nfs/dbraw/zinc/81/10/38/1134811038.db2.gz PLOZTZSGKCLHHF-DHIUTWEWSA-N 1 1 348.490 3.632 20 30 EHEDMO C[C@]12CC[N@@H+](CCCOc3ccc(C#N)cc3)C[C@H]1C2(Cl)Cl ZINC000792912122 1134822918 /nfs/dbraw/zinc/82/29/18/1134822918.db2.gz YFTDZWPHCSDQJC-CVEARBPZSA-N 1 1 339.266 3.843 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000793227320 1134878697 /nfs/dbraw/zinc/87/86/97/1134878697.db2.gz RERZACQGZGXZNJ-UHFFFAOYSA-N 1 1 327.424 3.988 20 30 EHEDMO C=CCCCCC[N@H+](CC(=O)NC)Cc1cccc(C(F)(F)F)c1 ZINC001191753295 1134917063 /nfs/dbraw/zinc/91/70/63/1134917063.db2.gz KXIULHIDUSVFEH-UHFFFAOYSA-N 1 1 342.405 4.000 20 30 EHEDMO Cc1ccc([C@@H]2CCC[N@@H+]2Cn2cc3c(c(C#N)c2=O)CCCC3)cc1 ZINC000793484052 1134939648 /nfs/dbraw/zinc/93/96/48/1134939648.db2.gz QTTKNSFRZJLNFU-NRFANRHFSA-N 1 1 347.462 3.702 20 30 EHEDMO Cc1ccc([C@@H]2CCC[N@H+]2Cn2cc3c(c(C#N)c2=O)CCCC3)cc1 ZINC000793484052 1134939655 /nfs/dbraw/zinc/93/96/55/1134939655.db2.gz QTTKNSFRZJLNFU-NRFANRHFSA-N 1 1 347.462 3.702 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1O ZINC000793531924 1134960393 /nfs/dbraw/zinc/96/03/93/1134960393.db2.gz QYBMMKOGSAPAID-FUHWJXTLSA-N 1 1 337.410 3.997 20 30 EHEDMO COc1cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)ccc1C#N ZINC000793618579 1134974209 /nfs/dbraw/zinc/97/42/09/1134974209.db2.gz VJGFDJCQJGAYPJ-CABCVRRESA-N 1 1 325.239 3.583 20 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C#Cc1cccc(NC(=S)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000806609840 1135469836 /nfs/dbraw/zinc/46/98/36/1135469836.db2.gz SQCYDPYECAIDDH-OXQOHEQNSA-N 1 1 349.503 3.617 20 30 EHEDMO Cc1cccc(C[C@]2(C)CCC[N@H+]2C[C@H](O)c2cccc(C#N)c2)c1 ZINC001196594218 1135581527 /nfs/dbraw/zinc/58/15/27/1135581527.db2.gz JDVRHWRUPLJYSH-VXKWHMMOSA-N 1 1 334.463 3.997 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](C3CC3)C2)cc1C ZINC000808776272 1135734930 /nfs/dbraw/zinc/73/49/30/1135734930.db2.gz FIHPAGOXXPFEFD-LJQANCHMSA-N 1 1 339.483 3.672 20 30 EHEDMO COc1ccc(C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C(C)(C)C)cc1 ZINC000808794669 1135738544 /nfs/dbraw/zinc/73/85/44/1135738544.db2.gz CNVRKRJVNSVINZ-FQEVSTJZSA-N 1 1 338.451 3.901 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000747532596 1135755100 /nfs/dbraw/zinc/75/51/00/1135755100.db2.gz NIICQCNOBKDACI-GOSISDBHSA-N 1 1 334.847 3.635 20 30 EHEDMO CC(C)c1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC001198844440 1135859840 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EHEDMO CCCCCCC[N@@H+]1Cc2nnn(CC3CC3)c2[C@@H](COCC)C1 ZINC001201762394 1136060863 /nfs/dbraw/zinc/06/08/63/1136060863.db2.gz IYYOTKPHKQBIDZ-QGZVFWFLSA-N 1 1 334.508 3.594 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001201804464 1136064539 /nfs/dbraw/zinc/06/45/39/1136064539.db2.gz KQRIYXQOTLMIFV-IBGZPJMESA-N 1 1 340.508 3.669 20 30 EHEDMO CCCCCCC[N@@H+]1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001201776340 1136065537 /nfs/dbraw/zinc/06/55/37/1136065537.db2.gz CAVZRUMLJSOWMV-NHCUHLMSSA-N 1 1 345.531 3.575 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001201776340 1136065541 /nfs/dbraw/zinc/06/55/41/1136065541.db2.gz CAVZRUMLJSOWMV-NHCUHLMSSA-N 1 1 345.531 3.575 20 30 EHEDMO CCCCCCCCCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001201839942 1136069498 /nfs/dbraw/zinc/06/94/98/1136069498.db2.gz YRJQTCXPXNTCLA-BCDXTJNWSA-N 1 1 344.565 3.672 20 30 EHEDMO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1CC[C@H](C)CCC=C(C)C ZINC001201976832 1136075191 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CN(C)c1cc(Cl)cc(Cl)c1C=[NH+]N[C@@H]1CCOC(C)(C)C1 ZINC000811648875 1136116973 /nfs/dbraw/zinc/11/69/73/1136116973.db2.gz STZRWWUYDUINHW-GFCCVEGCSA-N 1 1 344.286 3.941 20 30 EHEDMO C=CCc1cc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c(O)c(OC)c1 ZINC000811776536 1136133977 /nfs/dbraw/zinc/13/39/77/1136133977.db2.gz DMZXNMDYQMAOAA-VQIMIIECSA-N 1 1 331.456 3.519 20 30 EHEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000811804313 1136138668 /nfs/dbraw/zinc/13/86/68/1136138668.db2.gz IISZFPWMZXWQIJ-IBGZPJMESA-N 1 1 347.418 3.577 20 30 EHEDMO Cc1ccc(N2CCC(C(=O)O[C@@H](C#N)C3CCCCC3)CC2)[nH+]c1 ZINC000776377995 1136168756 /nfs/dbraw/zinc/16/87/56/1136168756.db2.gz HCVQCBUHCWNAFX-SFHVURJKSA-N 1 1 341.455 3.622 20 30 EHEDMO C[C@H](C(=O)OCCC(C)(C)C#N)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000776386196 1136173301 /nfs/dbraw/zinc/17/33/01/1136173301.db2.gz SMUQXJMUMGKEPI-QGZVFWFLSA-N 1 1 342.483 3.813 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@@H+](CCOC)C2CCCC2)c1O ZINC000747791132 1136210645 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C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001170722897 1136395509 /nfs/dbraw/zinc/39/55/09/1136395509.db2.gz MFLINCJIVDEWOX-INIZCTEOSA-N 1 1 326.390 3.527 20 30 EHEDMO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001170722897 1136395513 /nfs/dbraw/zinc/39/55/13/1136395513.db2.gz MFLINCJIVDEWOX-INIZCTEOSA-N 1 1 326.390 3.527 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000852319896 1136447840 /nfs/dbraw/zinc/44/78/40/1136447840.db2.gz SWEGPISKPJUBRL-BZSNNMDCSA-N 1 1 349.519 3.943 20 30 EHEDMO CC(C)(C)OC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000852319615 1136448034 /nfs/dbraw/zinc/44/80/34/1136448034.db2.gz QGQDPJQBRGKMLG-INIZCTEOSA-N 1 1 344.455 3.646 20 30 EHEDMO COCC[C@@H](c1ccccc1)[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852331931 1136449808 /nfs/dbraw/zinc/44/98/08/1136449808.db2.gz NEAWAFZXMCICRC-PZJWPPBQSA-N 1 1 335.451 3.717 20 30 EHEDMO COCC[C@@H](c1ccccc1)[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852331931 1136449810 /nfs/dbraw/zinc/44/98/10/1136449810.db2.gz NEAWAFZXMCICRC-PZJWPPBQSA-N 1 1 335.451 3.717 20 30 EHEDMO COc1cccc([C@@]2(C)CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)c1 ZINC000852536427 1136463225 /nfs/dbraw/zinc/46/32/25/1136463225.db2.gz SYFOVFAVTPFRIX-NRFANRHFSA-N 1 1 336.435 3.761 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000852685992 1136477868 /nfs/dbraw/zinc/47/78/68/1136477868.db2.gz NUVKPFKFGZDHBX-YSIASYRMSA-N 1 1 337.467 3.813 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000852686169 1136477965 /nfs/dbraw/zinc/47/79/65/1136477965.db2.gz PJGAVDIUNWTCOH-UPJWGTAASA-N 1 1 349.818 3.758 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000852686169 1136477967 /nfs/dbraw/zinc/47/79/67/1136477967.db2.gz PJGAVDIUNWTCOH-UPJWGTAASA-N 1 1 349.818 3.758 20 30 EHEDMO C=CCC(F)(F)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000815019501 1136538024 /nfs/dbraw/zinc/53/80/24/1136538024.db2.gz NWRFULVRDKLSAE-OAHLLOKOSA-N 1 1 336.426 3.889 20 30 EHEDMO CCCCCCCC[N@H+]1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854126599 1136589810 /nfs/dbraw/zinc/58/98/10/1136589810.db2.gz WMJDNXVIMRBQTD-UHFFFAOYSA-N 1 1 327.476 3.596 20 30 EHEDMO C[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1cccc(C#N)c1 ZINC000815446948 1136595994 /nfs/dbraw/zinc/59/59/94/1136595994.db2.gz IICUQZWWJXXQLZ-BEFAXECRSA-N 1 1 326.440 3.960 20 30 EHEDMO C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000815448267 1136596203 /nfs/dbraw/zinc/59/62/03/1136596203.db2.gz JMEAPMMLTQJEAI-DNVCBOLYSA-N 1 1 326.440 3.960 20 30 EHEDMO N#Cc1ccc(F)cc1COC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000815445290 1136596224 /nfs/dbraw/zinc/59/62/24/1136596224.db2.gz VWNASUGSCMBGBH-SFHVURJKSA-N 1 1 330.403 3.538 20 30 EHEDMO N#Cc1ccc(C[NH2+][C@H]2CCc3sc(Br)cc32)nc1 ZINC000815618614 1136619804 /nfs/dbraw/zinc/61/98/04/1136619804.db2.gz PAGBXOYYGVHYEM-LBPRGKRZSA-N 1 1 334.242 3.554 20 30 EHEDMO C#CC[N@@H+](C)CCCN[C@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000815652758 1136626617 /nfs/dbraw/zinc/62/66/17/1136626617.db2.gz RKGMMCIFWBPQCK-MRXNPFEDSA-N 1 1 344.446 3.654 20 30 EHEDMO C#CC[N@H+](C)CCCN[C@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000815652758 1136626620 /nfs/dbraw/zinc/62/66/20/1136626620.db2.gz RKGMMCIFWBPQCK-MRXNPFEDSA-N 1 1 344.446 3.654 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1O ZINC000776770623 1136659161 /nfs/dbraw/zinc/65/91/61/1136659161.db2.gz WNPKDFFIQQPKTA-LJQANCHMSA-N 1 1 331.456 3.520 20 30 EHEDMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000776788035 1136666006 /nfs/dbraw/zinc/66/60/06/1136666006.db2.gz ZPKSXPOMXXUHRH-HXUWFJFHSA-N 1 1 341.499 3.775 20 30 EHEDMO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2c(F)cccc2F)ccc1OC ZINC000113348081 1136697243 /nfs/dbraw/zinc/69/72/43/1136697243.db2.gz MROSQZJHJNVPGN-CQSZACIVSA-N 1 1 346.377 3.944 20 30 EHEDMO C#Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC000816838779 1136756365 /nfs/dbraw/zinc/75/63/65/1136756365.db2.gz KKUPGEIJNITEMR-HXUWFJFHSA-N 1 1 332.447 3.561 20 30 EHEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(C)ccc1SC1CCCC1 ZINC000818589360 1136885583 /nfs/dbraw/zinc/88/55/83/1136885583.db2.gz YVQGMENHHGGJQS-UHFFFAOYSA-N 1 1 344.524 3.715 20 30 EHEDMO C=CCC[C@H]([NH2+]Cc1cn(C)nc1Br)c1ccccc1 ZINC000858154033 1136944701 /nfs/dbraw/zinc/94/47/01/1136944701.db2.gz WHCGHPMNBKMLLB-HNNXBMFYSA-N 1 1 334.261 3.980 20 30 EHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859927601 1137037356 /nfs/dbraw/zinc/03/73/56/1137037356.db2.gz MMEYTPKRLNGEQC-UWHLTILDSA-N 1 1 346.430 3.508 20 30 EHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859927601 1137037358 /nfs/dbraw/zinc/03/73/58/1137037358.db2.gz MMEYTPKRLNGEQC-UWHLTILDSA-N 1 1 346.430 3.508 20 30 EHEDMO CC[C@H]1CCC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000117344193 1137052784 /nfs/dbraw/zinc/05/27/84/1137052784.db2.gz CZUZVXKODROXBC-DOTOQJQBSA-N 1 1 348.450 3.736 20 30 EHEDMO COc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)c(C)c1OC ZINC000862542172 1137149272 /nfs/dbraw/zinc/14/92/72/1137149272.db2.gz HMVDBBXUPROYDU-UHFFFAOYSA-N 1 1 336.435 3.637 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cncc(Cl)c1)[C@H]2CC ZINC001136990608 1137166262 /nfs/dbraw/zinc/16/62/62/1137166262.db2.gz BESHXOUHJZANMI-HKUYNNGSSA-N 1 1 347.890 3.657 20 30 EHEDMO N#Cc1cccc(Cl)c1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001143732942 1137193172 /nfs/dbraw/zinc/19/31/72/1137193172.db2.gz YVZYWXQXNJUCIW-CALCHBBNSA-N 1 1 337.854 3.780 20 30 EHEDMO N#Cc1cccc(Cl)c1C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001143732942 1137193173 /nfs/dbraw/zinc/19/31/73/1137193173.db2.gz YVZYWXQXNJUCIW-CALCHBBNSA-N 1 1 337.854 3.780 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)c(F)c1 ZINC000844372351 1137213584 /nfs/dbraw/zinc/21/35/84/1137213584.db2.gz WYYQEUKZWKJNFT-LJQANCHMSA-N 1 1 344.817 3.834 20 30 EHEDMO C[N@@H+]1Cc2c(NC(=O)CCS)cccc2[C@@H](c2ccccc2)C1 ZINC001143985311 1137221177 /nfs/dbraw/zinc/22/11/77/1137221177.db2.gz HOZQUWNONFXGRM-MRXNPFEDSA-N 1 1 326.465 3.522 20 30 EHEDMO C=CCC(C)(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001144072763 1137234870 /nfs/dbraw/zinc/23/48/70/1137234870.db2.gz GUOOYLWVTHSJKK-PMACEKPBSA-N 1 1 340.511 3.959 20 30 EHEDMO N#CC1(Cn2cc(C[NH2+][C@@H]3CCCc4ccccc43)nn2)CCCC1 ZINC000864635797 1137237781 /nfs/dbraw/zinc/23/77/81/1137237781.db2.gz SOWREDDKUWVBTD-LJQANCHMSA-N 1 1 335.455 3.529 20 30 EHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Br)c(F)cc1[O-] ZINC001144306764 1137270737 /nfs/dbraw/zinc/27/07/37/1137270737.db2.gz PFBQGBSQZDYFDN-WLLOZRIZSA-N 1 1 339.208 3.560 20 30 EHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cc(Br)c(F)cc1[O-] ZINC001144306764 1137270738 /nfs/dbraw/zinc/27/07/38/1137270738.db2.gz PFBQGBSQZDYFDN-WLLOZRIZSA-N 1 1 339.208 3.560 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC001171179318 1137290828 /nfs/dbraw/zinc/29/08/28/1137290828.db2.gz RINGHIFXGGNKOR-PGRDOPGGSA-N 1 1 333.479 3.601 20 30 EHEDMO [NH2+]=C(Nc1cc2cc[nH]c2c([N+](=O)[O-])c1)c1ccc2cc(O)ccc2c1 ZINC001171184938 1137294259 /nfs/dbraw/zinc/29/42/59/1137294259.db2.gz QPNRNHYVMIPLQS-UHFFFAOYSA-N 1 1 346.346 3.972 20 30 EHEDMO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)OC(C)(C)C)cc1C#N ZINC001171189877 1137296836 /nfs/dbraw/zinc/29/68/36/1137296836.db2.gz OOEZCBJXEKBJIB-UHFFFAOYSA-N 1 1 331.460 3.556 20 30 EHEDMO N#Cc1ccc(C[NH2+]CC(=O)Nc2cccc3ccccc32)c(F)c1 ZINC000772927125 1137299287 /nfs/dbraw/zinc/29/92/87/1137299287.db2.gz KIKCPXZMAFNZFC-UHFFFAOYSA-N 1 1 333.366 3.579 20 30 EHEDMO CCCC[C@](CC)([NH2+][C@@H](C)Cc1cccc(C#N)c1)C(=O)OCC ZINC001171192550 1137299430 /nfs/dbraw/zinc/29/94/30/1137299430.db2.gz OIANMEXOJQOYHC-JXFKEZNVSA-N 1 1 330.472 3.981 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1(c2ccccc2Cl)COC1 ZINC001171194184 1137302549 /nfs/dbraw/zinc/30/25/49/1137302549.db2.gz HDVLNHPMOGGADD-CQSZACIVSA-N 1 1 326.827 3.658 20 30 EHEDMO C#Cc1ccc(C[N@H+]2CCc3ncnc(-c4ccsc4)c3CC2)cc1 ZINC001144568665 1137311469 /nfs/dbraw/zinc/31/14/69/1137311469.db2.gz CCXMGMQRLBSMGE-UHFFFAOYSA-N 1 1 345.471 3.787 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001171202208 1137318771 /nfs/dbraw/zinc/31/87/71/1137318771.db2.gz AADVQPPOMYRPBB-CKEIUWERSA-N 1 1 340.389 3.515 20 30 EHEDMO N#CC1(C[NH2+]Cc2c[nH]c(C(=O)OCc3ccccc3)c2)CCCC1 ZINC000846011454 1137325857 /nfs/dbraw/zinc/32/58/57/1137325857.db2.gz WHOSUGNYUYAZNE-UHFFFAOYSA-N 1 1 337.423 3.545 20 30 EHEDMO C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cccc(C#N)c1[O-] ZINC000866335642 1137346771 /nfs/dbraw/zinc/34/67/71/1137346771.db2.gz DIQBUCOCDPQXQU-ZOBUZTSGSA-N 1 1 327.472 3.567 20 30 EHEDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866341838 1137347586 /nfs/dbraw/zinc/34/75/86/1137347586.db2.gz SBOQGXIOXSXGIB-CHWSQXEVSA-N 1 1 326.444 3.936 20 30 EHEDMO C=CCCCCCCCCC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001144795216 1137349151 /nfs/dbraw/zinc/34/91/51/1137349151.db2.gz BCCOOMIDAAJWBO-VQTJNVASSA-N 1 1 349.563 3.530 20 30 EHEDMO C=CCCCCCCCCC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001144795216 1137349153 /nfs/dbraw/zinc/34/91/53/1137349153.db2.gz BCCOOMIDAAJWBO-VQTJNVASSA-N 1 1 349.563 3.530 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)N1CC[NH+](C2(c3ccccc3)CC2)CC1 ZINC001171227934 1137353967 /nfs/dbraw/zinc/35/39/67/1137353967.db2.gz CLLTWUAFSVFUSK-LJQANCHMSA-N 1 1 345.490 3.796 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(NCc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000846775060 1137366917 /nfs/dbraw/zinc/36/69/17/1137366917.db2.gz YLWYWEIZPOAMQY-UHFFFAOYSA-N 1 1 331.423 3.989 20 30 EHEDMO C#C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(OCCCC)cc3)o2)C1 ZINC000847023081 1137383065 /nfs/dbraw/zinc/38/30/65/1137383065.db2.gz KVRGTEBPQOSOHX-INIZCTEOSA-N 1 1 339.439 3.761 20 30 EHEDMO C#C[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(OCCCC)cc3)o2)C1 ZINC000847023081 1137383066 /nfs/dbraw/zinc/38/30/66/1137383066.db2.gz KVRGTEBPQOSOHX-INIZCTEOSA-N 1 1 339.439 3.761 20 30 EHEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC001171332187 1137426050 /nfs/dbraw/zinc/42/60/50/1137426050.db2.gz NCSYBRBZINVYHS-OAHLLOKOSA-N 1 1 331.847 3.662 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1O ZINC000773259384 1137482499 /nfs/dbraw/zinc/48/24/99/1137482499.db2.gz JGRCBOZYFRRBDQ-IAGOWNOFSA-N 1 1 345.483 3.768 20 30 EHEDMO C#CCCCCC(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000773279069 1137485637 /nfs/dbraw/zinc/48/56/37/1137485637.db2.gz RCWZCGUVSDAQSF-ICSRJNTNSA-N 1 1 326.484 3.864 20 30 EHEDMO C#CCCCCC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000773317779 1137489337 /nfs/dbraw/zinc/48/93/37/1137489337.db2.gz LVWJYLKUYAKYGY-ICSRJNTNSA-N 1 1 326.484 3.597 20 30 EHEDMO CC[C@@H]1C[C@H]([N@H+]2CC[C@H](C#N)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171823774 1137511760 /nfs/dbraw/zinc/51/17/60/1137511760.db2.gz IXUODYVAHWBYBV-NCOADZHNSA-N 1 1 335.492 3.789 20 30 EHEDMO C=CC[C@H]1CCC[N@H+](CC(=O)NCCc2ccc(C(C)(C)C)cc2)C1 ZINC001171847526 1137515588 /nfs/dbraw/zinc/51/55/88/1137515588.db2.gz NXQFMKMEGLRRMG-IBGZPJMESA-N 1 1 342.527 3.931 20 30 EHEDMO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H](C#N)CC1)C2 ZINC001172101569 1137536075 /nfs/dbraw/zinc/53/60/75/1137536075.db2.gz HPGAYSKEUATFKA-ZJPYXAASSA-N 1 1 347.503 3.933 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](Cc1cccnc1)Cc1ccccn1 ZINC001172308139 1137545578 /nfs/dbraw/zinc/54/55/78/1137545578.db2.gz UDAAESJTUBFFSJ-GOSISDBHSA-N 1 1 342.446 3.982 20 30 EHEDMO COc1ccccc1O[C@@H]1CC[N@H+]([C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172308040 1137545635 /nfs/dbraw/zinc/54/56/35/1137545635.db2.gz SQGMLEBGSUUIDO-QFBILLFUSA-N 1 1 336.435 3.651 20 30 EHEDMO COc1ccccc1O[C@@H]1CC[N@H+]([C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172308042 1137545649 /nfs/dbraw/zinc/54/56/49/1137545649.db2.gz SQGMLEBGSUUIDO-VQIMIIECSA-N 1 1 336.435 3.651 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001172308172 1137545754 /nfs/dbraw/zinc/54/57/54/1137545754.db2.gz IXTIVSAMWQZJRF-RHSMWYFYSA-N 1 1 330.428 3.515 20 30 EHEDMO CCCc1noc([C@@H]2CCC[N@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)n1 ZINC001172310239 1137546012 /nfs/dbraw/zinc/54/60/12/1137546012.db2.gz FEJDGTRVRRFVJI-MAUKXSAKSA-N 1 1 338.455 3.704 20 30 EHEDMO CCCCCCC[C@H](CC)[N@H+]1CCCn2cnc(CNC(C)=O)c2C1 ZINC001172355667 1137554231 /nfs/dbraw/zinc/55/42/31/1137554231.db2.gz QIDKQYHLPCGXML-SFHVURJKSA-N 1 1 348.535 3.864 20 30 EHEDMO CC(C)(C)OC(=O)Nc1cc(F)cc(C[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC000872246762 1137576249 /nfs/dbraw/zinc/57/62/49/1137576249.db2.gz RKMRZQFAQXWMRI-CYBMUJFWSA-N 1 1 346.406 3.706 20 30 EHEDMO C=CCn1c(-c2cccnc2)nn(C[N@@H+](CC)[C@H](C)C(C)C)c1=S ZINC000125350528 1137630972 /nfs/dbraw/zinc/63/09/72/1137630972.db2.gz UCIPWAGOGQVIQQ-OAHLLOKOSA-N 1 1 345.516 3.986 20 30 EHEDMO C=CCn1c(-c2cccnc2)nn(C[N@H+](CC)[C@H](C)C(C)C)c1=S ZINC000125350528 1137630973 /nfs/dbraw/zinc/63/09/73/1137630973.db2.gz UCIPWAGOGQVIQQ-OAHLLOKOSA-N 1 1 345.516 3.986 20 30 EHEDMO CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc(C#N)cnc1Cl ZINC000876748331 1137660266 /nfs/dbraw/zinc/66/02/66/1137660266.db2.gz BLCRHEVIYBGYGU-GOSISDBHSA-N 1 1 343.858 3.626 20 30 EHEDMO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cc(C#N)cnc1Cl ZINC000876748331 1137660267 /nfs/dbraw/zinc/66/02/67/1137660267.db2.gz BLCRHEVIYBGYGU-GOSISDBHSA-N 1 1 343.858 3.626 20 30 EHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCCOc3cc(F)ccc32)c1 ZINC000877142908 1137671463 /nfs/dbraw/zinc/67/14/63/1137671463.db2.gz YZHOUTYNOMVJIQ-HNNXBMFYSA-N 1 1 331.778 3.749 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@@H+](Cc2ccco2)Cc2cccs2)cc1 ZINC000126629521 1137683472 /nfs/dbraw/zinc/68/34/72/1137683472.db2.gz NJKNNKUONJERTM-IBGZPJMESA-N 1 1 338.432 3.949 20 30 EHEDMO C[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc2c(c1)CCCO2 ZINC000877643259 1137684129 /nfs/dbraw/zinc/68/41/29/1137684129.db2.gz FTGNJLNTAGEJNP-GFCCVEGCSA-N 1 1 327.815 3.782 20 30 EHEDMO C=CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(C)C ZINC000877976254 1137697959 /nfs/dbraw/zinc/69/79/59/1137697959.db2.gz MZOHNFGESIJAFI-UHFFFAOYSA-N 1 1 336.779 3.695 20 30 EHEDMO C=CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(C)C ZINC000877976254 1137697960 /nfs/dbraw/zinc/69/79/60/1137697960.db2.gz MZOHNFGESIJAFI-UHFFFAOYSA-N 1 1 336.779 3.695 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@@H]1c1ccccn1)c1ccccc1 ZINC000878174985 1137706035 /nfs/dbraw/zinc/70/60/35/1137706035.db2.gz KZXDQBGZZQMLAK-NHCUHLMSSA-N 1 1 333.435 3.659 20 30 EHEDMO C=CCCC[C@@H](C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000878213561 1137707362 /nfs/dbraw/zinc/70/73/62/1137707362.db2.gz HHSIDJOFOQTUPW-YLJYHZDGSA-N 1 1 326.484 3.727 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCc2c(F)cccc2C1)c1ccccc1 ZINC000878303006 1137710343 /nfs/dbraw/zinc/71/03/43/1137710343.db2.gz DKAZVDVNTPVYHL-OAQYLSRUSA-N 1 1 336.410 3.624 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCc2c(F)cccc2C1)c1ccccc1 ZINC000878303006 1137710344 /nfs/dbraw/zinc/71/03/44/1137710344.db2.gz DKAZVDVNTPVYHL-OAQYLSRUSA-N 1 1 336.410 3.624 20 30 EHEDMO CC1(C)C[C@H](C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C(C)(C)O1 ZINC000878322650 1137710942 /nfs/dbraw/zinc/71/09/42/1137710942.db2.gz LQBZVKSNKHCBJM-QZTJIDSGSA-N 1 1 328.456 3.525 20 30 EHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878524514 1137718818 /nfs/dbraw/zinc/71/88/18/1137718818.db2.gz PVIYMSNICFLPSC-GFCCVEGCSA-N 1 1 348.790 3.839 20 30 EHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878524514 1137718819 /nfs/dbraw/zinc/71/88/19/1137718819.db2.gz PVIYMSNICFLPSC-GFCCVEGCSA-N 1 1 348.790 3.839 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)N2CC[N@H+](C)C(C)(C)CC2)c1 ZINC000878572640 1137720692 /nfs/dbraw/zinc/72/06/92/1137720692.db2.gz DEWIWXFIOQEZLE-UHFFFAOYSA-N 1 1 331.460 3.590 20 30 EHEDMO N#CCOc1ccc(C[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)cc1 ZINC000878906121 1137731758 /nfs/dbraw/zinc/73/17/58/1137731758.db2.gz IHJBUIWSFDZNCD-SFHVURJKSA-N 1 1 344.418 3.522 20 30 EHEDMO N#Cc1ccc(C2CC[NH+](Cc3cncc(C(F)(F)F)c3)CC2)nc1 ZINC000879024615 1137735645 /nfs/dbraw/zinc/73/56/45/1137735645.db2.gz ZRUUYQVKTALHBQ-UHFFFAOYSA-N 1 1 346.356 3.747 20 30 EHEDMO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879434218 1137747729 /nfs/dbraw/zinc/74/77/29/1137747729.db2.gz GCEGUAHJMXMKCB-OAHLLOKOSA-N 1 1 339.414 3.507 20 30 EHEDMO C[C@H]1c2sccc2CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000880377995 1137777021 /nfs/dbraw/zinc/77/70/21/1137777021.db2.gz LDHZDOYYBKRVHK-NSHDSACASA-N 1 1 331.466 3.629 20 30 EHEDMO N#C[C@H](c1ccccc1)n1cc(C[NH2+][C@H]2CCCc3ccccc32)nn1 ZINC000881294740 1137805212 /nfs/dbraw/zinc/80/52/12/1137805212.db2.gz BWAYNTNMDUWJFJ-LEWJYISDSA-N 1 1 343.434 3.558 20 30 EHEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cccc3cccnc31)C2 ZINC001137176164 1137825014 /nfs/dbraw/zinc/82/50/14/1137825014.db2.gz UFVUCEONJOINRS-CTNGQTDRSA-N 1 1 338.451 3.561 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000131096962 1137846330 /nfs/dbraw/zinc/84/63/30/1137846330.db2.gz ASYNSAHWXIWWST-FQEVSTJZSA-N 1 1 343.434 3.572 20 30 EHEDMO Cc1cccc2ncc(C[N@H+]3CCC[C@H](Oc4cccc(C#N)c4)C3)n21 ZINC001137197712 1137873107 /nfs/dbraw/zinc/87/31/07/1137873107.db2.gz IKOWSGZPZYTZSY-FQEVSTJZSA-N 1 1 346.434 3.558 20 30 EHEDMO C=CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001202577765 1137880747 /nfs/dbraw/zinc/88/07/47/1137880747.db2.gz IPWBKPXAKZBLNG-LEWJYISDSA-N 1 1 349.478 3.530 20 30 EHEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(OCC(F)(F)F)cc1 ZINC000112536069 1137908501 /nfs/dbraw/zinc/90/85/01/1137908501.db2.gz KCGAWUHEYOGASH-QWHCGFSZSA-N 1 1 325.334 3.722 20 30 EHEDMO C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)[N@H+]1C ZINC000331486112 1137910192 /nfs/dbraw/zinc/91/01/92/1137910192.db2.gz QWIBNOFUZKZGJS-IYBDPMFKSA-N 1 1 349.434 3.515 20 30 EHEDMO C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)[N@@H+]1C ZINC000331486112 1137910193 /nfs/dbraw/zinc/91/01/93/1137910193.db2.gz QWIBNOFUZKZGJS-IYBDPMFKSA-N 1 1 349.434 3.515 20 30 EHEDMO C#CCCCCC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000120232765 1137947594 /nfs/dbraw/zinc/94/75/94/1137947594.db2.gz YMVWEOOQZWZGHQ-HXUWFJFHSA-N 1 1 326.484 3.551 20 30 EHEDMO CCC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000120875259 1137953183 /nfs/dbraw/zinc/95/31/83/1137953183.db2.gz MWCJAAIUSFRQNI-OAHLLOKOSA-N 1 1 331.485 3.753 20 30 EHEDMO CCC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000120875259 1137953184 /nfs/dbraw/zinc/95/31/84/1137953184.db2.gz MWCJAAIUSFRQNI-OAHLLOKOSA-N 1 1 331.485 3.753 20 30 EHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134773900 1137960730 /nfs/dbraw/zinc/96/07/30/1137960730.db2.gz SAAOPHVBRFDTGT-UXHICEINSA-N 1 1 342.389 3.925 20 30 EHEDMO C=CCN1CC[C@@]2(CCC[N@H+](Cc3ccc4cc(C)ccc4n3)C2)C1=O ZINC001137212753 1137964860 /nfs/dbraw/zinc/96/48/60/1137964860.db2.gz BYJGWTIBYSLJKH-JOCHJYFZSA-N 1 1 349.478 3.544 20 30 EHEDMO COc1ccc(C[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@@H](C)C2CC2)cc1 ZINC000885965636 1138028983 /nfs/dbraw/zinc/02/89/83/1138028983.db2.gz QOECFQHWOOKQHW-QFBILLFUSA-N 1 1 342.483 3.741 20 30 EHEDMO C=CCOc1ccccc1C[NH2+]Cc1ccc(OC)c(OC)c1F ZINC000885977902 1138029840 /nfs/dbraw/zinc/02/98/40/1138029840.db2.gz NZMLITCZBAVTAA-UHFFFAOYSA-N 1 1 331.387 3.698 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000077283461 1138138535 /nfs/dbraw/zinc/13/85/35/1138138535.db2.gz FVRNUHSUBDZARC-CYBMUJFWSA-N 1 1 345.468 3.712 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1OC ZINC000091960542 1138223669 /nfs/dbraw/zinc/22/36/69/1138223669.db2.gz HEGXZIHNVUMBBH-AEFFLSMTSA-N 1 1 341.455 3.540 20 30 EHEDMO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccc(F)cc2F)c(C#N)c1C ZINC000126480645 1138331791 /nfs/dbraw/zinc/33/17/91/1138331791.db2.gz TXGITFDVXKWIHU-JTQLQIEISA-N 1 1 349.406 3.804 20 30 EHEDMO COc1c(C)cc(C[N@@H+](C)CCCC2(C#N)CCOCC2)cc1C ZINC000337130830 1138474342 /nfs/dbraw/zinc/47/43/42/1138474342.db2.gz JHMUZPNEBJKRLV-UHFFFAOYSA-N 1 1 330.472 3.844 20 30 EHEDMO CCOc1c(OC)cc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000130782872 1138476336 /nfs/dbraw/zinc/47/63/36/1138476336.db2.gz YHTKABJLKNRQDF-UHFFFAOYSA-N 1 1 340.423 3.606 20 30 EHEDMO C[C@H](c1cccc(NCc2ccc(C#N)cc2F)c1)[NH+]1CCOCC1 ZINC000264392381 1138499093 /nfs/dbraw/zinc/49/90/93/1138499093.db2.gz SHWJKHBIKVUQDE-OAHLLOKOSA-N 1 1 339.414 3.703 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000264395388 1138500300 /nfs/dbraw/zinc/50/03/00/1138500300.db2.gz BUUJAZCNKRCJPJ-HOCLYGCPSA-N 1 1 337.398 3.514 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000264395388 1138500304 /nfs/dbraw/zinc/50/03/04/1138500304.db2.gz BUUJAZCNKRCJPJ-HOCLYGCPSA-N 1 1 337.398 3.514 20 30 EHEDMO Cc1ccccc1[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000337697262 1138646067 /nfs/dbraw/zinc/64/60/67/1138646067.db2.gz UDOWWNGNRMUUHG-FUHWJXTLSA-N 1 1 333.435 3.683 20 30 EHEDMO Cc1ccccc1[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000337704388 1138648007 /nfs/dbraw/zinc/64/80/07/1138648007.db2.gz ZBAFOCQSMROKBU-GOSISDBHSA-N 1 1 333.435 3.685 20 30 EHEDMO N#CCC[C@H](C#N)C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000264912134 1138674362 /nfs/dbraw/zinc/67/43/62/1138674362.db2.gz ZDFLIWLSSPXRFP-KDOFPFPSSA-N 1 1 331.847 3.529 20 30 EHEDMO CC1=C(c2ccco2)C[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000338345032 1138844105 /nfs/dbraw/zinc/84/41/05/1138844105.db2.gz PWZDIORTXLKSAW-OAHLLOKOSA-N 1 1 335.407 3.658 20 30 EHEDMO CC1=C(c2ccco2)C[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000338345032 1138844109 /nfs/dbraw/zinc/84/41/09/1138844109.db2.gz PWZDIORTXLKSAW-OAHLLOKOSA-N 1 1 335.407 3.658 20 30 EHEDMO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)nc1C ZINC000348490769 1138938251 /nfs/dbraw/zinc/93/82/51/1138938251.db2.gz JAUQYHIFCBLSRE-ZDUSSCGKSA-N 1 1 343.452 3.545 20 30 EHEDMO C[C@H]1C[C@@H]([N@@H+](C)CCCSCC#N)CCN1Cc1ccccc1 ZINC000174172080 1139403897 /nfs/dbraw/zinc/40/38/97/1139403897.db2.gz AUOCKHMNZLBUJW-HKUYNNGSSA-N 1 1 331.529 3.618 20 30 EHEDMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000175473549 1139493648 /nfs/dbraw/zinc/49/36/48/1139493648.db2.gz SDJNWEMHKFXLIY-UHFFFAOYSA-N 1 1 340.851 3.584 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177096821 1139597384 /nfs/dbraw/zinc/59/73/84/1139597384.db2.gz WSYIFXKRBDAYKP-MRXNPFEDSA-N 1 1 348.874 3.538 20 30 EHEDMO C=CC[NH+]1CCC(N[C@@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000177913162 1139654002 /nfs/dbraw/zinc/65/40/02/1139654002.db2.gz VGKKUYSQYYCXGS-LBPRGKRZSA-N 1 1 328.378 3.728 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1nc2c(s1)CCCC2 ZINC000180550296 1139843503 /nfs/dbraw/zinc/84/35/03/1139843503.db2.gz NBJUUMGQPJIGLN-CYBMUJFWSA-N 1 1 327.453 3.775 20 30 EHEDMO C[C@@H](N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(OCC#N)cc1 ZINC000183196766 1140019448 /nfs/dbraw/zinc/01/94/48/1140019448.db2.gz ZFGYWMIQPMAYDA-ZHALLVOQSA-N 1 1 341.499 3.893 20 30 EHEDMO C[C@@H](N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(OCC#N)cc1 ZINC000183196766 1140019453 /nfs/dbraw/zinc/01/94/53/1140019453.db2.gz ZFGYWMIQPMAYDA-ZHALLVOQSA-N 1 1 341.499 3.893 20 30 EHEDMO CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000185802394 1140170509 /nfs/dbraw/zinc/17/05/09/1140170509.db2.gz DHDMYWMKDNBSPV-IBGZPJMESA-N 1 1 344.418 3.945 20 30 EHEDMO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000185802394 1140170513 /nfs/dbraw/zinc/17/05/13/1140170513.db2.gz DHDMYWMKDNBSPV-IBGZPJMESA-N 1 1 344.418 3.945 20 30 EHEDMO Cn1cc(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1C#N ZINC000191234962 1140446138 /nfs/dbraw/zinc/44/61/38/1140446138.db2.gz UMXBBHGZUAUCSF-UHFFFAOYSA-N 1 1 341.842 3.645 20 30 EHEDMO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000191467143 1140465126 /nfs/dbraw/zinc/46/51/26/1140465126.db2.gz SOEZFYJTYNKWDW-UHFFFAOYSA-N 1 1 327.472 3.850 20 30 EHEDMO Cn1cc(C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1C#N ZINC000191538723 1140471285 /nfs/dbraw/zinc/47/12/85/1140471285.db2.gz OFLXZWBNOMEJAI-HNNXBMFYSA-N 1 1 325.309 3.819 20 30 EHEDMO N#CC(CC[NH+]1CCN(C2CC2)CC1)(c1ccccc1)c1ccccc1 ZINC000193046084 1140561641 /nfs/dbraw/zinc/56/16/41/1140561641.db2.gz UZDPNKFWFICXCF-UHFFFAOYSA-N 1 1 345.490 3.666 20 30 EHEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c2ccccc21 ZINC000266949597 1140742107 /nfs/dbraw/zinc/74/21/07/1140742107.db2.gz ZECQDULWDRHIRO-FQEVSTJZSA-N 1 1 346.434 3.903 20 30 EHEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)c2ccccc21 ZINC000266949597 1140742111 /nfs/dbraw/zinc/74/21/11/1140742111.db2.gz ZECQDULWDRHIRO-FQEVSTJZSA-N 1 1 346.434 3.903 20 30 EHEDMO C[C@@H](NCCC[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000271619231 1141408141 /nfs/dbraw/zinc/40/81/41/1141408141.db2.gz CNTDAVWLDHYERW-CALCHBBNSA-N 1 1 332.451 3.821 20 30 EHEDMO C[C@@H]([NH2+]CCCN[C@@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000271619231 1141408143 /nfs/dbraw/zinc/40/81/43/1141408143.db2.gz CNTDAVWLDHYERW-CALCHBBNSA-N 1 1 332.451 3.821 20 30 EHEDMO N#Cc1cnc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(Cl)c1 ZINC000339135926 1141506884 /nfs/dbraw/zinc/50/68/84/1141506884.db2.gz XVVBUWHKHXLURF-CYBMUJFWSA-N 1 1 346.887 3.992 20 30 EHEDMO CCN1CC[NH+](Cc2ccc(N[C@H](C)c3ccc(C#N)cc3)cc2)CC1 ZINC000183180747 1125466064 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EHEDMO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000536672112 1032106631 /nfs/dbraw/zinc/10/66/31/1032106631.db2.gz AAMXTESLGCWDMW-MOPGFXCFSA-N 1 1 330.435 3.915 20 30 EHEDMO Cc1nc2ccccn2c1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000536672112 1032106636 /nfs/dbraw/zinc/10/66/36/1032106636.db2.gz AAMXTESLGCWDMW-MOPGFXCFSA-N 1 1 330.435 3.915 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c(F)c1 ZINC000134785913 1015792219 /nfs/dbraw/zinc/79/22/19/1015792219.db2.gz ANRFLISJPUBPRT-ICSRJNTNSA-N 1 1 342.389 3.925 20 30 EHEDMO C=CCCC[N@@H+](Cc1ccncc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209163342 1015878105 /nfs/dbraw/zinc/87/81/05/1015878105.db2.gz CNKRRTIVICGTQU-SFHVURJKSA-N 1 1 345.487 3.859 20 30 EHEDMO C=C(C)CN(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000180629972 1016019346 /nfs/dbraw/zinc/01/93/46/1016019346.db2.gz NYTYJMKJKNOJOD-KRWDZBQOSA-N 1 1 329.488 3.779 20 30 EHEDMO C[C@@H]([NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)N(C)CCC#N ZINC000070787138 1016582733 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EHEDMO C=CCCCN(CC)C(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000890812766 1017011161 /nfs/dbraw/zinc/01/11/61/1017011161.db2.gz PMMSIZGCGRKGBI-UHFFFAOYSA-N 1 1 325.456 3.584 20 30 EHEDMO C=CCOc1ccc(CNc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000120952454 1017043440 /nfs/dbraw/zinc/04/34/40/1017043440.db2.gz RQJXLRKCRUMGGQ-UHFFFAOYSA-N 1 1 338.451 3.696 20 30 EHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000598624324 1033333956 /nfs/dbraw/zinc/33/39/56/1033333956.db2.gz AVQCHCTYBHGXTH-GFCCVEGCSA-N 1 1 327.255 3.652 20 30 EHEDMO COc1ccc(C[NH2+][C@H](c2ccccc2)c2ccncc2)cc1C#N ZINC000172688890 1032422879 /nfs/dbraw/zinc/42/28/79/1032422879.db2.gz OYTJCZFODAJDMG-OAQYLSRUSA-N 1 1 329.403 3.841 20 30 EHEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000459746896 1032443572 /nfs/dbraw/zinc/44/35/72/1032443572.db2.gz CCENSMXRIVZHIM-CYBMUJFWSA-N 1 1 345.443 3.650 20 30 EHEDMO Cc1ccc([C@H](C[NH2+]Cc2cccc(F)c2C#N)N2CCCC2)o1 ZINC000602005440 1032592351 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EHEDMO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(-c4ccco4)cc3F)n2c1 ZINC000580827148 1020101510 /nfs/dbraw/zinc/10/15/10/1020101510.db2.gz NCLJFDHPKJNSHB-UHFFFAOYSA-N 1 1 346.365 3.895 20 30 EHEDMO Cc1cc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc2cccnc12 ZINC000897595374 1032878593 /nfs/dbraw/zinc/87/85/93/1032878593.db2.gz ADBQJDICVSUGAQ-NRFANRHFSA-N 1 1 343.430 3.988 20 30 EHEDMO Cc1cc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc2cccnc12 ZINC000897595374 1032878610 /nfs/dbraw/zinc/87/86/10/1032878610.db2.gz ADBQJDICVSUGAQ-NRFANRHFSA-N 1 1 343.430 3.988 20 30 EHEDMO COc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)cc1OCCCC#N ZINC000280444151 1020385944 /nfs/dbraw/zinc/38/59/44/1020385944.db2.gz KQYGBBAJVLDBGX-AEFFLSMTSA-N 1 1 346.471 3.503 20 30 EHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(C#N)cc1 ZINC000610475779 1020411132 /nfs/dbraw/zinc/41/11/32/1020411132.db2.gz AWODAIONLULTBT-QGZVFWFLSA-N 1 1 348.450 3.687 20 30 EHEDMO C=CCCCCCN(C)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000606916762 1032902934 /nfs/dbraw/zinc/90/29/34/1032902934.db2.gz CTHHMYVGVPYVKU-INIZCTEOSA-N 1 1 349.544 3.883 20 30 EHEDMO C=CCCCCCN(C)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000606916762 1032902955 /nfs/dbraw/zinc/90/29/55/1032902955.db2.gz CTHHMYVGVPYVKU-INIZCTEOSA-N 1 1 349.544 3.883 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc(C#N)s2)cc1 ZINC000340885603 1020538150 /nfs/dbraw/zinc/53/81/50/1020538150.db2.gz WVWGHLAISMMGGM-GFCCVEGCSA-N 1 1 336.420 3.605 20 30 EHEDMO CC(C)(C)OC1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000345864701 1020577715 /nfs/dbraw/zinc/57/77/15/1020577715.db2.gz KHECBBXLVRDJLJ-UHFFFAOYSA-N 1 1 338.398 3.939 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc2nccnc2c1 ZINC000602485766 1032916299 /nfs/dbraw/zinc/91/62/99/1032916299.db2.gz ROFMNPUIUNDAPH-GHTZIAJQSA-N 1 1 328.419 3.902 20 30 EHEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000510383819 1020678812 /nfs/dbraw/zinc/67/88/12/1020678812.db2.gz XZHJQQJMOLMURB-MJBXVCDLSA-N 1 1 348.878 3.700 20 30 EHEDMO COc1ccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)cc1C#N ZINC000135103260 1020766357 /nfs/dbraw/zinc/76/63/57/1020766357.db2.gz IAQZZUMVLJDLPR-IBGZPJMESA-N 1 1 336.435 3.606 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505347 1020855278 /nfs/dbraw/zinc/85/52/78/1020855278.db2.gz HSOXAVFKMXIUFC-KRWDZBQOSA-N 1 1 326.371 3.532 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505347 1020855287 /nfs/dbraw/zinc/85/52/87/1020855287.db2.gz HSOXAVFKMXIUFC-KRWDZBQOSA-N 1 1 326.371 3.532 20 30 EHEDMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNCc3cccc(C#N)n3)cc2)C1 ZINC000602513307 1032947279 /nfs/dbraw/zinc/94/72/79/1032947279.db2.gz FTEXWUXWDZOZRQ-HDICACEKSA-N 1 1 348.494 3.721 20 30 EHEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNCc3cccc(C#N)n3)cc2)C1 ZINC000602513307 1032947296 /nfs/dbraw/zinc/94/72/96/1032947296.db2.gz FTEXWUXWDZOZRQ-HDICACEKSA-N 1 1 348.494 3.721 20 30 EHEDMO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602545933 1032955961 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C=CC[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)Cc1ccc(OC)cc1 ZINC000550307607 1021563766 /nfs/dbraw/zinc/56/37/66/1021563766.db2.gz SWXSBUYKRMTTAO-KRWDZBQOSA-N 1 1 332.488 3.576 20 30 EHEDMO C=CC[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)Cc1ccc(OC)cc1 ZINC000550307607 1021563788 /nfs/dbraw/zinc/56/37/88/1021563788.db2.gz SWXSBUYKRMTTAO-KRWDZBQOSA-N 1 1 332.488 3.576 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c(OC(F)F)c1 ZINC000437134663 1021580859 /nfs/dbraw/zinc/58/08/59/1021580859.db2.gz LPFSKADNKCTKEZ-KRWDZBQOSA-N 1 1 343.377 3.846 20 30 EHEDMO Cc1sc2nc(C[NH+]3CCCC3)nc(NCC3(C#N)CC3)c2c1C ZINC000518866416 1021628335 /nfs/dbraw/zinc/62/83/35/1021628335.db2.gz UZJYMKVLJGXXDI-UHFFFAOYSA-N 1 1 341.484 3.620 20 30 EHEDMO N#Cc1c(NC(=O)C[N@@H+]2CC[C@@H]3CCC[C@H]32)sc2c1CCCCC2 ZINC000426473593 1021674264 /nfs/dbraw/zinc/67/42/64/1021674264.db2.gz ROPZMCRVKYYNGL-XJKSGUPXSA-N 1 1 343.496 3.702 20 30 EHEDMO N#Cc1c(NC(=O)C[N@H+]2CC[C@@H]3CCC[C@H]32)sc2c1CCCCC2 ZINC000426473593 1021674270 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EHEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000437572642 1021960311 /nfs/dbraw/zinc/96/03/11/1021960311.db2.gz WPRZWZNVEBWQIO-HXUWFJFHSA-N 1 1 335.451 3.668 20 30 EHEDMO CCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000520172725 1021985435 /nfs/dbraw/zinc/98/54/35/1021985435.db2.gz WJXGAOFHIOCZME-NRFANRHFSA-N 1 1 347.462 3.574 20 30 EHEDMO CC1(C#N)CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602602844 1033022217 /nfs/dbraw/zinc/02/22/17/1033022217.db2.gz CNYSJPKRJCCZAS-UHFFFAOYSA-N 1 1 327.306 3.739 20 30 EHEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c(O)c1OC ZINC000891624345 1022142976 /nfs/dbraw/zinc/14/29/76/1022142976.db2.gz AXWJLTROUJFQLU-UHFFFAOYSA-N 1 1 340.423 3.692 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000437805251 1022155353 /nfs/dbraw/zinc/15/53/53/1022155353.db2.gz WWJCHWGYYLHOCG-UHFFFAOYSA-N 1 1 339.414 3.894 20 30 EHEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1O)[C@H](C)c1ccc(C#N)cc1 ZINC000891656172 1022232975 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/nfs/dbraw/zinc/21/96/37/1024219637.db2.gz RKWZRPRHOVJUHT-KRWDZBQOSA-N 1 1 343.427 3.534 20 30 EHEDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)C2CCC(=O)CC2)c1 ZINC000329848466 1024219651 /nfs/dbraw/zinc/21/96/51/1024219651.db2.gz RKWZRPRHOVJUHT-KRWDZBQOSA-N 1 1 343.427 3.534 20 30 EHEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)C2CCC(NC(=O)C3CC3)CC2)C1 ZINC000330023420 1024292754 /nfs/dbraw/zinc/29/27/54/1024292754.db2.gz IOHDMHXSQNGFOT-HPUBIQBYSA-N 1 1 335.492 3.600 20 30 EHEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000330188545 1024348679 /nfs/dbraw/zinc/34/86/79/1024348679.db2.gz LEWPBNSYNKALMX-OKZBNKHCSA-N 1 1 330.476 3.539 20 30 EHEDMO CC[C@@H]1OCCC[C@H]1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000330228526 1024363070 /nfs/dbraw/zinc/36/30/70/1024363070.db2.gz CMPUWHRFBCNFEF-OCCSQVGLSA-N 1 1 337.489 3.703 20 30 EHEDMO CC[C@@H]1OCCC[C@H]1C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000330228526 1024363087 /nfs/dbraw/zinc/36/30/87/1024363087.db2.gz CMPUWHRFBCNFEF-OCCSQVGLSA-N 1 1 337.489 3.703 20 30 EHEDMO C[N@@H+](Cc1cnc2c(C#N)cnn2c1)C1CCC(C(C)(C)C)CC1 ZINC000563154652 1024402801 /nfs/dbraw/zinc/40/28/01/1024402801.db2.gz SFKLPXGWWRMNOO-UHFFFAOYSA-N 1 1 325.460 3.638 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc(C#N)c(F)c1 ZINC000346131201 1024434523 /nfs/dbraw/zinc/43/45/23/1024434523.db2.gz NCNWVCCPJXOEHI-CYBMUJFWSA-N 1 1 329.394 3.749 20 30 EHEDMO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000609548636 1024457412 /nfs/dbraw/zinc/45/74/12/1024457412.db2.gz RDCJHZWQSPTIJL-GOSISDBHSA-N 1 1 335.407 3.773 20 30 EHEDMO C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000609548636 1024457417 /nfs/dbraw/zinc/45/74/17/1024457417.db2.gz RDCJHZWQSPTIJL-GOSISDBHSA-N 1 1 335.407 3.773 20 30 EHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(Oc2ccccc2)nn1 ZINC000346239116 1024553203 /nfs/dbraw/zinc/55/32/03/1024553203.db2.gz OSTKYFJSQBUUKL-UHFFFAOYSA-N 1 1 330.391 3.773 20 30 EHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(Oc2ccccc2)nn1 ZINC000346239116 1024553213 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3.617 20 30 EHEDMO N#CCCn1cc(C[N@@H+]2CCC[C@H](CF)C2)c(-c2ccccc2)n1 ZINC000895546199 1024604940 /nfs/dbraw/zinc/60/49/40/1024604940.db2.gz LMUYSPHGBBCQDW-MRXNPFEDSA-N 1 1 326.419 3.645 20 30 EHEDMO CCC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000507824044 1024676351 /nfs/dbraw/zinc/67/63/51/1024676351.db2.gz MQTBNAIIQAFXTN-UHFFFAOYSA-N 1 1 331.485 3.702 20 30 EHEDMO C#CCC1(O)CC[NH+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000895669920 1024715565 /nfs/dbraw/zinc/71/55/65/1024715565.db2.gz LLFSJWCMZFARSE-UHFFFAOYSA-N 1 1 331.765 3.709 20 30 EHEDMO CC[C@@H]1C[N@@H+](Cc2csc(C#N)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000892105487 1024723218 /nfs/dbraw/zinc/72/32/18/1024723218.db2.gz LZKWNJOXBGNMSX-GDBMZVCRSA-N 1 1 349.500 3.745 20 30 EHEDMO C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000121159238 1024741409 /nfs/dbraw/zinc/74/14/09/1024741409.db2.gz QBHMOGNBBIZVGT-UWJYYQICSA-N 1 1 347.462 3.790 20 30 EHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](CC)Cc1ccccc1 ZINC000096573803 1024790261 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EHEDMO COC1(OC)CC2(C[N@@H+](Cc3c(C)cc(C#N)cc3C)[C@H]2C(C)C)C1 ZINC000895987877 1025044559 /nfs/dbraw/zinc/04/45/59/1025044559.db2.gz KBBBVFHSPJALMW-IBGZPJMESA-N 1 1 342.483 3.785 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cccc(F)c2C#N)C1 ZINC000428233478 1025058465 /nfs/dbraw/zinc/05/84/65/1025058465.db2.gz SGJJLKILCFOZEH-DLBZAZTESA-N 1 1 329.463 3.784 20 30 EHEDMO C[C@H]1Cc2ccccc2C[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001167544463 1025149122 /nfs/dbraw/zinc/14/91/22/1025149122.db2.gz NORRRORDJYDAIL-KKSFZXQISA-N 1 1 345.446 3.500 20 30 EHEDMO CCOc1ncccc1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000330360805 1025154482 /nfs/dbraw/zinc/15/44/82/1025154482.db2.gz XOGYCCJZOIAODR-KRWDZBQOSA-N 1 1 331.460 3.734 20 30 EHEDMO COc1cc([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)ccc1OCC(C)C ZINC000119678879 1025177449 /nfs/dbraw/zinc/17/74/49/1025177449.db2.gz JRESUEWJGLGHEI-HZPDHXFCSA-N 1 1 329.444 3.824 20 30 EHEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3cnc4ccc(C#N)cn34)C2)c1 ZINC000515366192 1025197843 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EHEDMO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046526595 1033276158 /nfs/dbraw/zinc/27/61/58/1033276158.db2.gz JIMPJOYJWKWAHW-LBPRGKRZSA-N 1 1 345.805 3.810 20 30 EHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2F)C1 ZINC000439014094 1025428299 /nfs/dbraw/zinc/42/82/99/1025428299.db2.gz YSXODAXPABIBFV-FPWFTKFVSA-N 1 1 330.447 3.849 20 30 EHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000425499781 1025493583 /nfs/dbraw/zinc/49/35/83/1025493583.db2.gz KEOPXUJBXIMRIE-HXUWFJFHSA-N 1 1 343.434 3.654 20 30 EHEDMO COc1cc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)ccc1C#N ZINC000442836735 1025527854 /nfs/dbraw/zinc/52/78/54/1025527854.db2.gz OSRMODDCIANVHV-OAHLLOKOSA-N 1 1 328.362 3.835 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187724581 1025534715 /nfs/dbraw/zinc/53/47/15/1025534715.db2.gz PVQOIQZFCAYRCS-ROUUACIJSA-N 1 1 344.462 3.870 20 30 EHEDMO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1C#N ZINC000442891376 1025574152 /nfs/dbraw/zinc/57/41/52/1025574152.db2.gz REUBSAFXJVWODO-VQTJNVASSA-N 1 1 331.419 3.839 20 30 EHEDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1C#N ZINC000442891376 1025574164 /nfs/dbraw/zinc/57/41/64/1025574164.db2.gz REUBSAFXJVWODO-VQTJNVASSA-N 1 1 331.419 3.839 20 30 EHEDMO CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC1CC1 ZINC000552009254 1025587449 /nfs/dbraw/zinc/58/74/49/1025587449.db2.gz AGVSANLGEDCSTM-UHFFFAOYSA-N 1 1 331.485 3.557 20 30 EHEDMO N#Cc1cccc(OCCC[N@H+]2CC[C@H](COc3ccccc3)C2)c1 ZINC000505811870 1025689615 /nfs/dbraw/zinc/68/96/15/1025689615.db2.gz JDHPEXVXCPXREB-IBGZPJMESA-N 1 1 336.435 3.728 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000425540464 1025690178 /nfs/dbraw/zinc/69/01/78/1025690178.db2.gz VIYCXMBIZZCHMR-HKUYNNGSSA-N 1 1 347.462 3.713 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000425541375 1025692067 /nfs/dbraw/zinc/69/20/67/1025692067.db2.gz WSRVZUIYBNJZQH-LIRRHRJNSA-N 1 1 328.843 3.808 20 30 EHEDMO Cc1cccc(C)c1OC[C@H](O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425541570 1025692955 /nfs/dbraw/zinc/69/29/55/1025692955.db2.gz PPLYDCVGAOOZCW-YLJYHZDGSA-N 1 1 338.451 3.608 20 30 EHEDMO CC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000120029046 1025709886 /nfs/dbraw/zinc/70/98/86/1025709886.db2.gz ZKQQEVBFHFQKJX-OAHLLOKOSA-N 1 1 338.407 3.728 20 30 EHEDMO C=CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522834060 1025739338 /nfs/dbraw/zinc/73/93/38/1025739338.db2.gz DPBVSQVRHKDWTG-NRFANRHFSA-N 1 1 349.478 3.508 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c(Cl)c1 ZINC000425557400 1025748153 /nfs/dbraw/zinc/74/81/53/1025748153.db2.gz WBWKARRIJAEYFY-GOSISDBHSA-N 1 1 330.859 3.993 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)[C@H]2CCCC[C@H]12 ZINC000515968032 1025803201 /nfs/dbraw/zinc/80/32/01/1025803201.db2.gz ICNKPGUFIAFMEL-AHRSYUTCSA-N 1 1 349.482 3.869 20 30 EHEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 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EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cn1 ZINC000277773333 1026886850 /nfs/dbraw/zinc/88/68/50/1026886850.db2.gz RFVOSQBJMJKXAF-UHFFFAOYSA-N 1 1 349.356 3.621 20 30 EHEDMO C=CCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000342736430 1026898296 /nfs/dbraw/zinc/89/82/96/1026898296.db2.gz QLLCJTPAFWGNGW-UHFFFAOYSA-N 1 1 331.485 3.725 20 30 EHEDMO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]CCCC#N)c1ccccc1 ZINC000342742633 1026926941 /nfs/dbraw/zinc/92/69/41/1026926941.db2.gz RASYEDZHVNRSDR-LJQANCHMSA-N 1 1 337.423 3.577 20 30 EHEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000076733641 1027349167 /nfs/dbraw/zinc/34/91/67/1027349167.db2.gz BBWIYRARNAHFNJ-HNNXBMFYSA-N 1 1 331.485 3.775 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](C)CCc2nc(-c3ccccc3)no2)cc1 ZINC000077247234 1027381905 /nfs/dbraw/zinc/38/19/05/1027381905.db2.gz VKFBOVQPSWTAIF-UHFFFAOYSA-N 1 1 349.434 3.976 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000513717727 1027407197 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COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000121414420 1027643091 /nfs/dbraw/zinc/64/30/91/1027643091.db2.gz DEFXJBOHKGRCPR-INIZCTEOSA-N 1 1 327.453 3.841 20 30 EHEDMO N#Cc1c(F)cccc1C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000428363390 1027677111 /nfs/dbraw/zinc/67/71/11/1027677111.db2.gz LTUWINFEDYDXNG-UHFFFAOYSA-N 1 1 328.362 3.632 20 30 EHEDMO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c(Cl)c1 ZINC000046529700 1027721818 /nfs/dbraw/zinc/72/18/18/1027721818.db2.gz GRBLILFDMZQXCO-AWEZNQCLSA-N 1 1 341.842 3.979 20 30 EHEDMO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c(Cl)c1 ZINC000046529700 1027721834 /nfs/dbraw/zinc/72/18/34/1027721834.db2.gz GRBLILFDMZQXCO-AWEZNQCLSA-N 1 1 341.842 3.979 20 30 EHEDMO N#Cc1ccc(F)c(C[NH+]2CCC(N3CCc4ccccc43)CC2)c1 ZINC000503389022 1027755704 /nfs/dbraw/zinc/75/57/04/1027755704.db2.gz FYNHOACZSQEQAW-UHFFFAOYSA-N 1 1 335.426 3.724 20 30 EHEDMO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000533402819 1027776981 /nfs/dbraw/zinc/77/69/81/1027776981.db2.gz UDSUAODVBGFRGX-KRWDZBQOSA-N 1 1 339.464 3.655 20 30 EHEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000533402819 1027776997 /nfs/dbraw/zinc/77/69/97/1027776997.db2.gz UDSUAODVBGFRGX-KRWDZBQOSA-N 1 1 339.464 3.655 20 30 EHEDMO C=C(C)[C@@H]([NH2+]CC(=O)N(C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000187769785 1027824161 /nfs/dbraw/zinc/82/41/61/1027824161.db2.gz GRNSKWWRTOIDPR-LJQANCHMSA-N 1 1 330.378 3.835 20 30 EHEDMO C=CCCCN(C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000246191083 1027932915 /nfs/dbraw/zinc/93/29/15/1027932915.db2.gz MKLKJFFLAKYXQI-RDJZCZTQSA-N 1 1 335.517 3.739 20 30 EHEDMO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000421009579 1027963297 /nfs/dbraw/zinc/96/32/97/1027963297.db2.gz BTDXNCVUNYNFNT-MRXNPFEDSA-N 1 1 339.464 3.826 20 30 EHEDMO CC1(C)[C@@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000421009579 1027963310 /nfs/dbraw/zinc/96/33/10/1027963310.db2.gz BTDXNCVUNYNFNT-MRXNPFEDSA-N 1 1 339.464 3.826 20 30 EHEDMO CC(C)[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H](C)c1ccsc1 ZINC000421000335 1027976991 /nfs/dbraw/zinc/97/69/91/1027976991.db2.gz DBIXZEIVCAJQQY-HNNXBMFYSA-N 1 1 341.480 3.708 20 30 EHEDMO C=C(C)CCNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000455315467 1027995970 /nfs/dbraw/zinc/99/59/70/1027995970.db2.gz UGYGDGZFGVQWLB-UHFFFAOYSA-N 1 1 329.488 3.506 20 30 EHEDMO Cc1cc(C)cc([C@H]2CC[N@H+](CC(=O)Nc3sccc3C#N)C2)c1 ZINC000183484953 1028032355 /nfs/dbraw/zinc/03/23/55/1028032355.db2.gz JCULFBXOWBZNKK-INIZCTEOSA-N 1 1 339.464 3.665 20 30 EHEDMO Cc1cc(C)cc([C@H]2CC[N@@H+](CC(=O)Nc3sccc3C#N)C2)c1 ZINC000183484953 1028032363 /nfs/dbraw/zinc/03/23/63/1028032363.db2.gz JCULFBXOWBZNKK-INIZCTEOSA-N 1 1 339.464 3.665 20 30 EHEDMO COc1cccc(C2=CC[N@@H+](Cc3ccc(OC)c(C#N)c3)CC2)c1 ZINC000533539478 1028046992 /nfs/dbraw/zinc/04/69/92/1028046992.db2.gz GLLREXUKZZBCSW-UHFFFAOYSA-N 1 1 334.419 3.865 20 30 EHEDMO CC(C)(C#N)CCCC[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000444667331 1028140438 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C[C@@H]1CCC[C@@](CNCc2cccc(OCCCC#N)c2)([NH+](C)C)C1 ZINC000237598615 1028655502 /nfs/dbraw/zinc/65/55/02/1028655502.db2.gz XQUKXCDQIZYPKG-WIYYLYMNSA-N 1 1 343.515 3.969 20 30 EHEDMO CC(C)(C)CN(CCC#N)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000343020814 1028669366 /nfs/dbraw/zinc/66/93/66/1028669366.db2.gz ZDTZECAQFICEJF-IBGZPJMESA-N 1 1 341.499 3.687 20 30 EHEDMO CN(C(=O)C[N@H+](Cc1ccco1)C1CCCC1)C1(C#N)CCCCC1 ZINC000052077141 1028709276 /nfs/dbraw/zinc/70/92/76/1028709276.db2.gz QYLCPLGWVPKUPA-UHFFFAOYSA-N 1 1 343.471 3.709 20 30 EHEDMO CN(C(=O)C[N@@H+](Cc1ccco1)C1CCCC1)C1(C#N)CCCCC1 ZINC000052077141 1028709294 /nfs/dbraw/zinc/70/92/94/1028709294.db2.gz QYLCPLGWVPKUPA-UHFFFAOYSA-N 1 1 343.471 3.709 20 30 EHEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cccc(F)c2)no1 ZINC001211975405 1028722618 /nfs/dbraw/zinc/72/26/18/1028722618.db2.gz GIGZAEFLUIZRAY-IRXDYDNUSA-N 1 1 347.434 3.954 20 30 EHEDMO C[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000268910776 1028747701 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N#Cc1ccc(C[N@@H+]2CCCN(c3cccc(F)c3F)CC2)cc1 ZINC000595505475 1033834311 /nfs/dbraw/zinc/83/43/11/1033834311.db2.gz UPNJCLLBELJAGF-UHFFFAOYSA-N 1 1 327.378 3.549 20 30 EHEDMO CC(C)(C)OC(=O)[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)Cc2ccccc21 ZINC000595613130 1033923362 /nfs/dbraw/zinc/92/33/62/1033923362.db2.gz IANXBUNPOBQNGP-UWWQBHOKSA-N 1 1 326.440 3.620 20 30 EHEDMO C=CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000595660479 1033938983 /nfs/dbraw/zinc/93/89/83/1033938983.db2.gz RPUMJQKKOJYZPX-KGLIPLIRSA-N 1 1 343.496 3.724 20 30 EHEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000595660479 1033939000 /nfs/dbraw/zinc/93/90/00/1033939000.db2.gz RPUMJQKKOJYZPX-KGLIPLIRSA-N 1 1 343.496 3.724 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000593116393 1033982306 /nfs/dbraw/zinc/98/23/06/1033982306.db2.gz LUBVIPZWJAZOKE-ZDUSSCGKSA-N 1 1 339.370 3.767 20 30 EHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](CCF)C2)c1C#N ZINC000595754421 1033985226 /nfs/dbraw/zinc/98/52/26/1033985226.db2.gz BDGMVSCLOAPXQJ-INIZCTEOSA-N 1 1 326.419 3.624 20 30 EHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](CCF)C2)c1C#N ZINC000595754421 1033985243 /nfs/dbraw/zinc/98/52/43/1033985243.db2.gz BDGMVSCLOAPXQJ-INIZCTEOSA-N 1 1 326.419 3.624 20 30 EHEDMO CC[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000595781256 1033996305 /nfs/dbraw/zinc/99/63/05/1033996305.db2.gz BVJBPGVJRDGVSJ-HUUCEWRRSA-N 1 1 331.485 3.751 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599580863 1034021399 /nfs/dbraw/zinc/02/13/99/1034021399.db2.gz GYXVIHPNHJWJGC-RKVPGOIHSA-N 1 1 328.456 3.919 20 30 EHEDMO Cc1ccc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)cc1C#N ZINC000599582770 1034024138 /nfs/dbraw/zinc/02/41/38/1034024138.db2.gz OZWYAHXBIDWTRR-QAPCUYQASA-N 1 1 328.456 3.666 20 30 EHEDMO N#CCCN(C(=O)C[N@H+]1CC2CC1(c1ccccc1)C2)c1ccccc1 ZINC000595909707 1034029873 /nfs/dbraw/zinc/02/98/73/1034029873.db2.gz BSZKPBSQCQXLIO-UHFFFAOYSA-N 1 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ZINC000612166716 1034329746 /nfs/dbraw/zinc/32/97/46/1034329746.db2.gz WKRLDKURBXZGJA-VGOFRKELSA-N 1 1 347.462 3.781 20 30 EHEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000450485973 1034415061 /nfs/dbraw/zinc/41/50/61/1034415061.db2.gz KDNBZHSMMGVMOQ-DLBZAZTESA-N 1 1 336.426 3.817 20 30 EHEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000450485973 1034415064 /nfs/dbraw/zinc/41/50/64/1034415064.db2.gz KDNBZHSMMGVMOQ-DLBZAZTESA-N 1 1 336.426 3.817 20 30 EHEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000604564829 1034420848 /nfs/dbraw/zinc/42/08/48/1034420848.db2.gz QGTUOKPFRKUQNL-CYBMUJFWSA-N 1 1 331.485 3.559 20 30 EHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(C)o1 ZINC000604776389 1034489137 /nfs/dbraw/zinc/48/91/37/1034489137.db2.gz YJPJPSSKEAYFSA-RBUKOAKNSA-N 1 1 341.451 3.893 20 30 EHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)cc2)CC1 ZINC000597025953 1034502314 /nfs/dbraw/zinc/50/23/14/1034502314.db2.gz 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COC(=O)c1cccc(C[N@H+](C)[C@@H]2CCCc3ccccc32)c1C#N ZINC000534490772 1034615062 /nfs/dbraw/zinc/61/50/62/1034615062.db2.gz NWZCDUMAKWYIIE-HXUWFJFHSA-N 1 1 334.419 3.854 20 30 EHEDMO COC(=O)c1cccc(C[N@@H+](C)[C@@H]2CCCc3ccccc32)c1C#N ZINC000534490772 1034615064 /nfs/dbraw/zinc/61/50/64/1034615064.db2.gz NWZCDUMAKWYIIE-HXUWFJFHSA-N 1 1 334.419 3.854 20 30 EHEDMO C[C@H]1C[C@H](NC(=O)CC2(C#N)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000597371124 1034722386 /nfs/dbraw/zinc/72/23/86/1034722386.db2.gz BEOPBMFCZITSCV-HKUYNNGSSA-N 1 1 339.483 3.630 20 30 EHEDMO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1F ZINC000008240475 1034896064 /nfs/dbraw/zinc/89/60/64/1034896064.db2.gz HXIBHZIUMPZLNX-JTQLQIEISA-N 1 1 349.768 3.779 20 30 EHEDMO N#Cc1ccc(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)s1 ZINC000180000686 1035148119 /nfs/dbraw/zinc/14/81/19/1035148119.db2.gz WSBXGXDVVBTBCN-IBGZPJMESA-N 1 1 326.465 3.882 20 30 EHEDMO Cc1c(C#N)cccc1NC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000431725779 1035373625 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EHEDMO C#CCCOc1ccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186453901 1035637420 /nfs/dbraw/zinc/63/74/20/1035637420.db2.gz SFQUQOQJHMZAHF-QFIPXVFZSA-N 1 1 333.431 3.720 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000582244904 1035721313 /nfs/dbraw/zinc/72/13/13/1035721313.db2.gz RNWGCVKTAQNXPA-QGZVFWFLSA-N 1 1 325.343 3.943 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000582244904 1035721335 /nfs/dbraw/zinc/72/13/35/1035721335.db2.gz RNWGCVKTAQNXPA-QGZVFWFLSA-N 1 1 325.343 3.943 20 30 EHEDMO CN(C(=O)C[NH+]1CCC(c2ccsc2)CC1)C1(C#N)CCCCC1 ZINC000186917463 1035722364 /nfs/dbraw/zinc/72/23/64/1035722364.db2.gz DNYWNXAMNRCTPX-UHFFFAOYSA-N 1 1 345.512 3.612 20 30 EHEDMO C[C@@H]1C[C@@H](CCNC(=O)CCCCCC#N)C[N@H+]1Cc1ccccc1 ZINC000588162496 1035735481 /nfs/dbraw/zinc/73/54/81/1035735481.db2.gz VCSVMEYQYAKNCY-UYAOXDASSA-N 1 1 341.499 3.877 20 30 EHEDMO C[N@@H+](CCCCNC(=O)c1ccccc1-c1ccccc1C#N)C1CC1 ZINC000457195126 1035811823 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EHEDMO Cc1cc(CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)ccc1C#N ZINC000443986862 1036214482 /nfs/dbraw/zinc/21/44/82/1036214482.db2.gz GEIFNFMLFKYVHD-NRFANRHFSA-N 1 1 333.479 3.521 20 30 EHEDMO Cc1cc(CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1C#N ZINC000443986862 1036214500 /nfs/dbraw/zinc/21/45/00/1036214500.db2.gz GEIFNFMLFKYVHD-NRFANRHFSA-N 1 1 333.479 3.521 20 30 EHEDMO Cn1cc([C@@H]([NH2+]CC#Cc2cccc(Cl)c2)c2ccccc2)cn1 ZINC000376356156 1036265375 /nfs/dbraw/zinc/26/53/75/1036265375.db2.gz WAPUAWDMYBGOGM-FQEVSTJZSA-N 1 1 335.838 3.804 20 30 EHEDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000535320062 1036353972 /nfs/dbraw/zinc/35/39/72/1036353972.db2.gz AVVFXYYSOCHKQK-QGZVFWFLSA-N 1 1 340.814 3.520 20 30 EHEDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000535320062 1036353997 /nfs/dbraw/zinc/35/39/97/1036353997.db2.gz AVVFXYYSOCHKQK-QGZVFWFLSA-N 1 1 340.814 3.520 20 30 EHEDMO Cn1nc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c2ccccc21 ZINC000589317922 1036357170 /nfs/dbraw/zinc/35/71/70/1036357170.db2.gz YNAQOUNKSHUPDG-UHFFFAOYSA-N 1 1 344.340 3.754 20 30 EHEDMO CSc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)s1 ZINC000589494125 1036437239 /nfs/dbraw/zinc/43/72/39/1036437239.db2.gz FJYRXZMBQMEXMF-UHFFFAOYSA-N 1 1 329.494 3.664 20 30 EHEDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000589498154 1036439169 /nfs/dbraw/zinc/43/91/69/1036439169.db2.gz OEJHIYPZMCAYDC-JKSUJKDBSA-N 1 1 326.362 3.702 20 30 EHEDMO C[C@H](NCC#Cc1ccccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603472 1036506278 /nfs/dbraw/zinc/50/62/78/1036506278.db2.gz OJORINWOZBTXOK-FUHWJXTLSA-N 1 1 330.903 3.934 20 30 EHEDMO N#CCCCCNc1[nH+]cc2c(c1C#N)N(Cc1ccccc1)CC2 ZINC001168428154 1036524770 /nfs/dbraw/zinc/52/47/70/1036524770.db2.gz XXLDMZHWHVJICT-UHFFFAOYSA-N 1 1 331.423 3.622 20 30 EHEDMO C=C(Br)CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000714988703 1036567735 /nfs/dbraw/zinc/56/77/35/1036567735.db2.gz QTBRUCGSTLIFAW-MSOLQXFVSA-N 1 1 349.316 3.882 20 30 EHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)C[C@H](C)c1ccccc1 ZINC000589707379 1036602475 /nfs/dbraw/zinc/60/24/75/1036602475.db2.gz JVNUUWBUJCDSSJ-GHTZIAJQSA-N 1 1 339.479 3.890 20 30 EHEDMO C[C@@H](C#N)C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000541761824 1036622317 /nfs/dbraw/zinc/62/23/17/1036622317.db2.gz CHBJCEGNBSLBOG-JTQLQIEISA-N 1 1 336.258 3.822 20 30 EHEDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000589879151 1036648527 /nfs/dbraw/zinc/64/85/27/1036648527.db2.gz PEWBKEHBHBBRTO-UONOGXRCSA-N 1 1 345.512 3.805 20 30 EHEDMO N#Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)cc1O ZINC000191157394 1036679162 /nfs/dbraw/zinc/67/91/62/1036679162.db2.gz AJNBFQUVZPVZJM-UHFFFAOYSA-N 1 1 349.434 3.892 20 30 EHEDMO Cc1cc(C)c(C#N)c(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000310895491 1036696349 /nfs/dbraw/zinc/69/63/49/1036696349.db2.gz LUPYDWCZPWBCNH-IBGZPJMESA-N 1 1 334.467 3.894 20 30 EHEDMO Cc1ccccc1C[N@H+]1CCCN(Cc2cccc(F)c2C#N)CC1 ZINC000589982992 1036701803 /nfs/dbraw/zinc/70/18/03/1036701803.db2.gz RJHMFAXGOJOYDX-UHFFFAOYSA-N 1 1 337.442 3.714 20 30 EHEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@@H](C)Cc3ccc(Cl)cc3)C2)C1=O ZINC001168183175 1036794676 /nfs/dbraw/zinc/79/46/76/1036794676.db2.gz NLXMIILIUGDAEH-OXJNMPFZSA-N 1 1 346.902 3.772 20 30 EHEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC001168184995 1036878144 /nfs/dbraw/zinc/87/81/44/1036878144.db2.gz YZRMLURQICNFPH-WOJBJXKFSA-N 1 1 342.483 3.733 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)N2CCC(CC#N)CC2)cc1)C(C)C ZINC000541974127 1036908429 /nfs/dbraw/zinc/90/84/29/1036908429.db2.gz LVNRUYFKHBRMOS-UHFFFAOYSA-N 1 1 327.472 3.683 20 30 EHEDMO Cn1cc(C[N@@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)cc1C#N ZINC000191319636 1036922963 /nfs/dbraw/zinc/92/29/63/1036922963.db2.gz ABGKJWAFGLGUJC-UHFFFAOYSA-N 1 1 335.451 3.776 20 30 EHEDMO C[C@@]1(c2ccccc2)C[N@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000532422372 1037122319 /nfs/dbraw/zinc/12/23/19/1037122319.db2.gz OLUVYNLDMLYVDB-NRFANRHFSA-N 1 1 336.435 3.575 20 30 EHEDMO C[C@@]1(c2ccccc2)C[N@@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000532422372 1037122333 /nfs/dbraw/zinc/12/23/33/1037122333.db2.gz OLUVYNLDMLYVDB-NRFANRHFSA-N 1 1 336.435 3.575 20 30 EHEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CC(=O)Nc2cccc(C#N)c2)c1 ZINC000542253866 1037204295 /nfs/dbraw/zinc/20/42/95/1037204295.db2.gz IUYAAEPUUPNNSR-FOIQADDNSA-N 1 1 349.434 3.588 20 30 EHEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000542248392 1037214236 /nfs/dbraw/zinc/21/42/36/1037214236.db2.gz WUJKSYNWECJYHS-VXGBXAGGSA-N 1 1 330.291 3.975 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591063370 1037221943 /nfs/dbraw/zinc/22/19/43/1037221943.db2.gz RYLIPZUYBSJEAM-JSGCOSHPSA-N 1 1 343.496 3.557 20 30 EHEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000539851341 1037284731 /nfs/dbraw/zinc/28/47/31/1037284731.db2.gz YWWABQIZZHGXQN-LJQANCHMSA-N 1 1 332.451 3.968 20 30 EHEDMO Cc1cccc([C@H]2CC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)c1 ZINC000542319805 1037297841 /nfs/dbraw/zinc/29/78/41/1037297841.db2.gz KSIOEELBMNXYNA-IBGZPJMESA-N 1 1 333.435 3.685 20 30 EHEDMO COc1cccc([C@H](C)[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000088523720 1037380483 /nfs/dbraw/zinc/38/04/83/1037380483.db2.gz VMNYMELGYYAQHT-LAUBAEHRSA-N 1 1 335.451 3.639 20 30 EHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2c(C#N)cnc3ccccc32)C1 ZINC000462786855 1037396113 /nfs/dbraw/zinc/39/61/13/1037396113.db2.gz CYKYPKXZOOMWQM-CALCHBBNSA-N 1 1 336.483 3.698 20 30 EHEDMO C=CC[N@H+](CC(=O)N(C)Cc1ccccc1OC)CC1CCCCC1 ZINC000303459794 1037431914 /nfs/dbraw/zinc/43/19/14/1037431914.db2.gz NTTPKAOIWMHXEY-UHFFFAOYSA-N 1 1 344.499 3.722 20 30 EHEDMO CC[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)C[C@H](C)OC ZINC000462824085 1037445713 /nfs/dbraw/zinc/44/57/13/1037445713.db2.gz AIDATDKTUGDCCB-KRWDZBQOSA-N 1 1 338.451 3.994 20 30 EHEDMO COC[C@@H]1CCCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000376525437 1037446962 /nfs/dbraw/zinc/44/69/62/1037446962.db2.gz FBJBGIBYXFWAQE-CYBMUJFWSA-N 1 1 337.261 3.569 20 30 EHEDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000376525437 1037446971 /nfs/dbraw/zinc/44/69/71/1037446971.db2.gz FBJBGIBYXFWAQE-CYBMUJFWSA-N 1 1 337.261 3.569 20 30 EHEDMO CC(C)[NH+]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000181241296 1037465505 /nfs/dbraw/zinc/46/55/05/1037465505.db2.gz OLEFSNPOSVDRRS-UHFFFAOYSA-N 1 1 349.434 3.517 20 30 EHEDMO CN(Cc1cccc(C#N)c1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352892889 1037487482 /nfs/dbraw/zinc/48/74/82/1037487482.db2.gz LAXGSXMGQRICCL-SFHVURJKSA-N 1 1 337.442 3.651 20 30 EHEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1nncn1-c1ccccc1 ZINC000573419002 1037489602 /nfs/dbraw/zinc/48/96/02/1037489602.db2.gz IEABBULNLAWVAT-HXUWFJFHSA-N 1 1 343.434 3.696 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(OC)c1)c1ccc(F)cc1 ZINC000491692796 1037638369 /nfs/dbraw/zinc/63/83/69/1037638369.db2.gz BTHLZAOOVLHNPB-OAHLLOKOSA-N 1 1 335.325 3.900 20 30 EHEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000532571497 1037671688 /nfs/dbraw/zinc/67/16/88/1037671688.db2.gz ARYMMZVTSZRTII-QFBILLFUSA-N 1 1 333.435 3.765 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000591855051 1037682791 /nfs/dbraw/zinc/68/27/91/1037682791.db2.gz OPWJGIDXQVWCOC-RTBURBONSA-N 1 1 326.827 3.828 20 30 EHEDMO C#C[C@H]([NH2+]Cc1ccc(OC)c(OC(F)F)c1)c1ccc(F)cc1 ZINC000491780906 1037687058 /nfs/dbraw/zinc/68/70/58/1037687058.db2.gz JLIVXKGDBHRNAX-HNNXBMFYSA-N 1 1 335.325 3.900 20 30 EHEDMO C=CCOc1ccc(C[NH+]2CC(c3ccccc3F)C2)cc1OC ZINC000463042646 1037708690 /nfs/dbraw/zinc/70/86/90/1037708690.db2.gz KPVKHXFGASPTER-UHFFFAOYSA-N 1 1 327.399 3.999 20 30 EHEDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1C ZINC000248960407 1037738586 /nfs/dbraw/zinc/73/85/86/1037738586.db2.gz BBVREXXYYJROBN-OXJNMPFZSA-N 1 1 348.446 3.856 20 30 EHEDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000463083149 1037757515 /nfs/dbraw/zinc/75/75/15/1037757515.db2.gz FQZYEZCLKQPLIU-AWEZNQCLSA-N 1 1 325.378 3.888 20 30 EHEDMO CC[N@H+]1CCC[C@H](CNC(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000493998629 1037761973 /nfs/dbraw/zinc/76/19/73/1037761973.db2.gz MGSUIZSHRLOWAK-OAHLLOKOSA-N 1 1 341.480 3.543 20 30 EHEDMO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cccc2[nH]ccc21 ZINC000494020063 1037780539 /nfs/dbraw/zinc/78/05/39/1037780539.db2.gz XGQAIGDUTRKERJ-UHFFFAOYSA-N 1 1 346.434 3.547 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494028163 1037784127 /nfs/dbraw/zinc/78/41/27/1037784127.db2.gz PIIXWFVVDAGNSC-UHFFFAOYSA-N 1 1 335.407 3.559 20 30 EHEDMO N#CC[C@]1(O)CC[N@H+]([C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000592148138 1037847341 /nfs/dbraw/zinc/84/73/41/1037847341.db2.gz RIXBLDKEZNPZAB-MOPGFXCFSA-N 1 1 326.827 3.780 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](O)[C@H]2CCc2ccccc2)c1F ZINC000592168593 1037913831 /nfs/dbraw/zinc/91/38/31/1037913831.db2.gz SJYDHTKVCVMXFQ-WOJBJXKFSA-N 1 1 338.426 3.655 20 30 EHEDMO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1ccccc1C(C)(C)C#N ZINC000532622495 1037943782 /nfs/dbraw/zinc/94/37/82/1037943782.db2.gz AXDHCYNBQXKQSN-UHFFFAOYSA-N 1 1 336.435 3.891 20 30 EHEDMO C[C@H](Cc1ccccc1)[NH+]1CCC(NCc2ccc(CC#N)cc2)CC1 ZINC000592391393 1037953894 /nfs/dbraw/zinc/95/38/94/1037953894.db2.gz ALFQKJYVCPJWLP-LJQANCHMSA-N 1 1 347.506 3.938 20 30 EHEDMO C[C@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000592391393 1037953911 /nfs/dbraw/zinc/95/39/11/1037953911.db2.gz ALFQKJYVCPJWLP-LJQANCHMSA-N 1 1 347.506 3.938 20 30 EHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCC[C@H](C)C1 ZINC000187982561 1037955040 /nfs/dbraw/zinc/95/50/40/1037955040.db2.gz BEBMDLIWEFCRKY-HOTGVXAUSA-N 1 1 345.512 3.999 20 30 EHEDMO N#CCc1ccc(C[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1 ZINC000592445455 1037982921 /nfs/dbraw/zinc/98/29/21/1037982921.db2.gz OSUBSHYRXBFZMN-OAQYLSRUSA-N 1 1 347.462 3.596 20 30 EHEDMO COc1ccc(C[NH+]2CC(C)(CC(F)F)C2)cc1OCCCC#N ZINC000592523270 1038020465 /nfs/dbraw/zinc/02/04/65/1038020465.db2.gz KEYIFENEKDPOHH-UHFFFAOYSA-N 1 1 338.398 3.855 20 30 EHEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3csc4ccccc34)C2)nc1 ZINC000428810975 1038083579 /nfs/dbraw/zinc/08/35/79/1038083579.db2.gz ZEYSMMGHUSOYSY-INIZCTEOSA-N 1 1 335.432 3.821 20 30 EHEDMO COc1cc([C@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc(OC)c1OC ZINC000341407772 1038116599 /nfs/dbraw/zinc/11/65/99/1038116599.db2.gz RNWIEMWLWSOEBZ-LBPRGKRZSA-N 1 1 344.386 3.574 20 30 EHEDMO C[C@@H]1OCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)[C@H]1C ZINC000538726243 1038494639 /nfs/dbraw/zinc/49/46/39/1038494639.db2.gz GKGVYUMWOLACLU-IRXDYDNUSA-N 1 1 336.435 3.746 20 30 EHEDMO C[C@@H]1OCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)[C@H]1C ZINC000538726243 1038494642 /nfs/dbraw/zinc/49/46/42/1038494642.db2.gz GKGVYUMWOLACLU-IRXDYDNUSA-N 1 1 336.435 3.746 20 30 EHEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](OCCC)CC2)c1C ZINC000108398331 1038553701 /nfs/dbraw/zinc/55/37/01/1038553701.db2.gz CKKKLSHAFFJMNP-SFHVURJKSA-N 1 1 332.488 3.755 20 30 EHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](OCCC)CC2)c1C ZINC000108398331 1038553706 /nfs/dbraw/zinc/55/37/06/1038553706.db2.gz CKKKLSHAFFJMNP-SFHVURJKSA-N 1 1 332.488 3.755 20 30 EHEDMO CC[C@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1ccc(C#N)cc1 ZINC000365796626 1038558735 /nfs/dbraw/zinc/55/87/35/1038558735.db2.gz QLPRAGOMMKGDEV-KXBFYZLASA-N 1 1 331.423 3.941 20 30 EHEDMO C[C@@H]1[N@@H+](Cc2cccc(OCCCC#N)c2)CCC12CCOCC2 ZINC000363869187 1038729115 /nfs/dbraw/zinc/72/91/15/1038729115.db2.gz QOPLVNLJOVXRHC-KRWDZBQOSA-N 1 1 328.456 3.760 20 30 EHEDMO C=CCCC[C@H](C)NC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000539391613 1038889184 /nfs/dbraw/zinc/88/91/84/1038889184.db2.gz LNCOSISVNBXXJC-LNLFQRSKSA-N 1 1 329.488 3.866 20 30 EHEDMO Cc1cc(C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)ccc1C#N ZINC000488428414 1039174125 /nfs/dbraw/zinc/17/41/25/1039174125.db2.gz HMOMBMVRXFALKM-IQMFZBJNSA-N 1 1 326.465 3.797 20 30 EHEDMO Cc1cc(C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)ccc1C#N ZINC000488428418 1039175068 /nfs/dbraw/zinc/17/50/68/1039175068.db2.gz HMOMBMVRXFALKM-NPMXOYFQSA-N 1 1 326.465 3.797 20 30 EHEDMO Cc1cc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)ccc1C#N ZINC000488428420 1039175199 /nfs/dbraw/zinc/17/51/99/1039175199.db2.gz HMOMBMVRXFALKM-WNSKOXEYSA-N 1 1 326.465 3.797 20 30 EHEDMO N#CC(=C(O)c1cccc(C[NH+]2CCCC2)c1)c1nc2ccccc2[nH]1 ZINC000554305192 1039200466 /nfs/dbraw/zinc/20/04/66/1039200466.db2.gz FUTONEQPYNUTNQ-KRWDZBQOSA-N 1 1 344.418 3.649 20 30 EHEDMO C#CCOc1ccccc1CNC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000236687874 1039233022 /nfs/dbraw/zinc/23/30/22/1039233022.db2.gz XWIKHUSNHIZMJU-GOSISDBHSA-N 1 1 340.492 3.687 20 30 EHEDMO C[C@@H]1[C@H](CO)CC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000488747273 1039381904 /nfs/dbraw/zinc/38/19/04/1039381904.db2.gz OHSHEIOFGCDXIW-MOPGFXCFSA-N 1 1 334.463 3.589 20 30 EHEDMO Cc1ccccc1[C@H](C(C)C)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000488772947 1039394177 /nfs/dbraw/zinc/39/41/77/1039394177.db2.gz XVCQXFVHJDUZNP-QFIPXVFZSA-N 1 1 349.478 3.812 20 30 EHEDMO C=CCc1cc(C[N@@H+](CCO)CC2CCCCC2)cc(OC)c1O ZINC000485721893 1039462311 /nfs/dbraw/zinc/46/23/11/1039462311.db2.gz BPPDVOYWBKENQB-UHFFFAOYSA-N 1 1 333.472 3.504 20 30 EHEDMO C=C(C)C[N@H+](CCC(=O)c1ccc(C)cc1)Cc1ccc(CO)o1 ZINC000512487478 1039472324 /nfs/dbraw/zinc/47/23/24/1039472324.db2.gz VGYNOWOELANNQB-UHFFFAOYSA-N 1 1 327.424 3.731 20 30 EHEDMO C=C(C)C[N@@H+](CCC(=O)c1ccc(C)cc1)Cc1ccc(CO)o1 ZINC000512487478 1039472333 /nfs/dbraw/zinc/47/23/33/1039472333.db2.gz VGYNOWOELANNQB-UHFFFAOYSA-N 1 1 327.424 3.731 20 30 EHEDMO C#CCOc1ccc(CNCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000236693515 1039595904 /nfs/dbraw/zinc/59/59/04/1039595904.db2.gz QBRWRFUJOTYKCY-UHFFFAOYSA-N 1 1 348.490 3.974 20 30 EHEDMO COc1c(F)cccc1C[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001143537024 1039709177 /nfs/dbraw/zinc/70/91/77/1039709177.db2.gz NIOGAXYUWPIWHX-GOSISDBHSA-N 1 1 340.398 3.749 20 30 EHEDMO CC[C@@H]([NH2+]Cc1cccc(OC)c1OC)c1cccc(C#N)c1O ZINC000924713124 1039796804 /nfs/dbraw/zinc/79/68/04/1039796804.db2.gz HGJSPBRZDDOVBV-MRXNPFEDSA-N 1 1 326.396 3.522 20 30 EHEDMO 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NHACOQBSSFTISM-IBGZPJMESA-N 1 1 343.515 3.752 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000620313107 1125541790 /nfs/dbraw/zinc/54/17/90/1125541790.db2.gz VXHFUTJSJYVHLC-YSIASYRMSA-N 1 1 342.458 3.747 20 30 EHEDMO CCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1O ZINC000072597756 1126793870 /nfs/dbraw/zinc/79/38/70/1126793870.db2.gz UHIKZUNWXRPAJU-UHFFFAOYSA-N 1 1 337.423 3.505 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@H]1C ZINC000072874646 1126910033 /nfs/dbraw/zinc/91/00/33/1126910033.db2.gz UQDZGMOFJGNVJY-OLZOCXBDSA-N 1 1 331.485 3.700 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@H]1C ZINC000072874646 1126910036 /nfs/dbraw/zinc/91/00/36/1126910036.db2.gz UQDZGMOFJGNVJY-OLZOCXBDSA-N 1 1 331.485 3.700 20 30 EHEDMO C#CC[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C1CC1 ZINC000763955741 1126960757 /nfs/dbraw/zinc/96/07/57/1126960757.db2.gz QNIDXVMYZKVMLI-UHFFFAOYSA-N 1 1 326.827 3.912 20 30 EHEDMO C#CC[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C1CC1 ZINC000763955741 1126960760 /nfs/dbraw/zinc/96/07/60/1126960760.db2.gz QNIDXVMYZKVMLI-UHFFFAOYSA-N 1 1 326.827 3.912 20 30 EHEDMO C=CCCC[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000181419385 1127276186 /nfs/dbraw/zinc/27/61/86/1127276186.db2.gz VPRGNPXBLLZYRI-SFHVURJKSA-N 1 1 329.488 3.649 20 30 EHEDMO C=C[C@@H](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)c1ccccc1 ZINC001127933311 1127731697 /nfs/dbraw/zinc/73/16/97/1127731697.db2.gz ILCQHEOTNPWUIV-NRFANRHFSA-N 1 1 348.490 3.999 20 30 EHEDMO CC[N@@H+](C[C@@H](C)NC(=O)OC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000785441236 1128111136 /nfs/dbraw/zinc/11/11/36/1128111136.db2.gz IONYGIAYVRODBS-HUUCEWRRSA-N 1 1 331.460 3.854 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cc(C#N)cs1 ZINC000153585944 1128474898 /nfs/dbraw/zinc/47/48/98/1128474898.db2.gz XFSXTWYARVFEQV-HZPDHXFCSA-N 1 1 339.508 3.866 20 30 EHEDMO CC[N@@H+](CC(=O)NCCC1=CCCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000107817335 1128561574 /nfs/dbraw/zinc/56/15/74/1128561574.db2.gz ASPSAYFQSOBWAZ-QGZVFWFLSA-N 1 1 339.483 3.948 20 30 EHEDMO N#Cc1cccnc1NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000301059919 1128571280 /nfs/dbraw/zinc/57/12/80/1128571280.db2.gz BFUIYMJCQNZVLE-MRXNPFEDSA-N 1 1 344.821 3.995 20 30 EHEDMO C[N@@H+]1CC[C@H](Nc2snc(Cl)c2C#N)[C@H]1c1ccc(F)cc1 ZINC000301975655 1128613905 /nfs/dbraw/zinc/61/39/05/1128613905.db2.gz LPTVDSMFYUZHDG-QWHCGFSZSA-N 1 1 336.823 3.665 20 30 EHEDMO C[N@H+]1CC[C@H](Nc2snc(Cl)c2C#N)[C@H]1c1ccc(F)cc1 ZINC000301975655 1128613906 /nfs/dbraw/zinc/61/39/06/1128613906.db2.gz LPTVDSMFYUZHDG-QWHCGFSZSA-N 1 1 336.823 3.665 20 30 EHEDMO N#Cc1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1Cl ZINC000301228255 1128579215 /nfs/dbraw/zinc/57/92/15/1128579215.db2.gz GCYKQDRXQGGZJL-GOSISDBHSA-N 1 1 341.842 3.525 20 30 EHEDMO N#Cc1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1Cl ZINC000301228255 1128579220 /nfs/dbraw/zinc/57/92/20/1128579220.db2.gz GCYKQDRXQGGZJL-GOSISDBHSA-N 1 1 341.842 3.525 20 30 EHEDMO C[N@@H+](CCc1cccc(Nc2ccc([N+](=O)[O-])cc2C#N)c1)C1CC1 ZINC000301980499 1128614277 /nfs/dbraw/zinc/61/42/77/1128614277.db2.gz GNZHKXGGIUSOQK-UHFFFAOYSA-N 1 1 336.395 3.847 20 30 EHEDMO CCC[N@H+]1CC[C@@H](CNc2c(C#N)cnc3c(C)cc(F)cc32)C1 ZINC000301999557 1128614692 /nfs/dbraw/zinc/61/46/92/1128614692.db2.gz VKNAQKWPPOUIML-AWEZNQCLSA-N 1 1 326.419 3.698 20 30 EHEDMO C[C@@H](CCNc1snc(Cl)c1C#N)[N@@H+](C)Cc1ccccc1 ZINC000301465517 1128593063 /nfs/dbraw/zinc/59/30/63/1128593063.db2.gz HLXDBCDVBMEGOE-LBPRGKRZSA-N 1 1 334.876 3.991 20 30 EHEDMO CC[C@@H](c1ccccc1OC)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000553990985 1128601081 /nfs/dbraw/zinc/60/10/81/1128601081.db2.gz LIDHIYQBTZQWJI-SFHVURJKSA-N 1 1 337.423 3.588 20 30 EHEDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000553990985 1128601083 /nfs/dbraw/zinc/60/10/83/1128601083.db2.gz LIDHIYQBTZQWJI-SFHVURJKSA-N 1 1 337.423 3.588 20 30 EHEDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1nc(C(F)(F)F)ccc1C#N ZINC000302030671 1128616492 /nfs/dbraw/zinc/61/64/92/1128616492.db2.gz RYIIAVBGHCXTEK-ZDUSSCGKSA-N 1 1 348.372 3.904 20 30 EHEDMO Cc1nc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)ccc1C#N ZINC000108254856 1128612009 /nfs/dbraw/zinc/61/20/09/1128612009.db2.gz ZJUHQXQHOZUZIV-HNNXBMFYSA-N 1 1 348.450 3.888 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2c(F)cc(C#N)cc2F)C1 ZINC000302036044 1128616651 /nfs/dbraw/zinc/61/66/51/1128616651.db2.gz JYOGBCBCOQLWOZ-LSDHHAIUSA-N 1 1 333.426 3.927 20 30 EHEDMO CC(C)C[N@H+]1CC[C@H](CNc2ccc(Br)cc2C#N)C1 ZINC000302074184 1128618291 /nfs/dbraw/zinc/61/82/91/1128618291.db2.gz IDOJNGDKRGVXTE-CYBMUJFWSA-N 1 1 336.277 3.711 20 30 EHEDMO CC(=O)c1ccc(C#N)cc1NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000302081497 1128618785 /nfs/dbraw/zinc/61/87/85/1128618785.db2.gz CDAXRHVBFSZBFY-ZDUSSCGKSA-N 1 1 339.464 3.681 20 30 EHEDMO CC(=O)c1ccc(C#N)cc1NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000302081497 1128618786 /nfs/dbraw/zinc/61/87/86/1128618786.db2.gz CDAXRHVBFSZBFY-ZDUSSCGKSA-N 1 1 339.464 3.681 20 30 EHEDMO COc1ccc(C#N)cc1CNC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000358858026 1128649100 /nfs/dbraw/zinc/64/91/00/1128649100.db2.gz IADABUCCLKSKGA-UHFFFAOYSA-N 1 1 337.467 3.567 20 30 EHEDMO COc1ccc(C#N)cc1C[NH2+]C(C)(C)CN(C)Cc1ccccc1 ZINC000358858026 1128649101 /nfs/dbraw/zinc/64/91/01/1128649101.db2.gz IADABUCCLKSKGA-UHFFFAOYSA-N 1 1 337.467 3.567 20 30 EHEDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000302811917 1128649121 /nfs/dbraw/zinc/64/91/21/1128649121.db2.gz ZBMLJRVPTLQQBW-CQSZACIVSA-N 1 1 327.378 3.720 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000303737799 1128691033 /nfs/dbraw/zinc/69/10/33/1128691033.db2.gz XXSWQTRAMBPOMQ-OXQOHEQNSA-N 1 1 333.435 3.747 20 30 EHEDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccc(C(F)(F)F)c(C#N)n2)C1 ZINC000619696808 1128749868 /nfs/dbraw/zinc/74/98/68/1128749868.db2.gz LBXVMWRZBLADLD-HNNXBMFYSA-N 1 1 332.329 3.571 20 30 EHEDMO C[N@@H+](CCOc1cccc(C#N)c1)C1CCN(Cc2ccccc2)CC1 ZINC000074322126 1128799606 /nfs/dbraw/zinc/79/96/06/1128799606.db2.gz XWHFAHZOXXKHDN-UHFFFAOYSA-N 1 1 349.478 3.533 20 30 EHEDMO CN(CCOc1cccc(C#N)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322126 1128799610 /nfs/dbraw/zinc/79/96/10/1128799610.db2.gz XWHFAHZOXXKHDN-UHFFFAOYSA-N 1 1 349.478 3.533 20 30 EHEDMO C=CCC[C@@H](NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC001670779349 1120236594 /nfs/dbraw/zinc/23/65/94/1120236594.db2.gz BMWJDGGDPWWMNE-QZTJIDSGSA-N 1 1 329.488 3.866 20 30 EHEDMO C/C(=C/c1ccccc1)C[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000494242667 1120508605 /nfs/dbraw/zinc/50/86/05/1120508605.db2.gz URSCNDPMELRYHL-VKAVYKQESA-N 1 1 333.435 3.922 20 30 EHEDMO C/C(=C/c1ccccc1)C[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000494232636 1120510775 /nfs/dbraw/zinc/51/07/75/1120510775.db2.gz BTJPMDXWNBEJJT-JXAWBTAJSA-N 1 1 339.483 3.707 20 30 EHEDMO C/C(=C/c1ccccc1)C[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000494232636 1120510778 /nfs/dbraw/zinc/51/07/78/1120510778.db2.gz BTJPMDXWNBEJJT-JXAWBTAJSA-N 1 1 339.483 3.707 20 30 EHEDMO C/C(=C/c1ccccc1)C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000494240333 1120513145 /nfs/dbraw/zinc/51/31/45/1120513145.db2.gz DNYSFAUCRWJRRU-DNKLCNGGSA-N 1 1 339.483 3.753 20 30 EHEDMO Cc1ccc2[nH]c3c(c2c1)C[N@H+](CCOc1ccc(C#N)cc1)CC3 ZINC000609196031 1120548827 /nfs/dbraw/zinc/54/88/27/1120548827.db2.gz SOCBIZLIHGIBHN-UHFFFAOYSA-N 1 1 331.419 3.785 20 30 EHEDMO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CCOc1ccc(C#N)cc1)CC3 ZINC000609196031 1120548830 /nfs/dbraw/zinc/54/88/30/1120548830.db2.gz SOCBIZLIHGIBHN-UHFFFAOYSA-N 1 1 331.419 3.785 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000189341393 1120578942 /nfs/dbraw/zinc/57/89/42/1120578942.db2.gz RAIWWAQUFDRUPP-LAUBAEHRSA-N 1 1 330.435 3.502 20 30 EHEDMO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000189846972 1120613542 /nfs/dbraw/zinc/61/35/42/1120613542.db2.gz UUHRAZNZBUMQER-SJORKVTESA-N 1 1 332.875 3.948 20 30 EHEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000189846972 1120613545 /nfs/dbraw/zinc/61/35/45/1120613545.db2.gz UUHRAZNZBUMQER-SJORKVTESA-N 1 1 332.875 3.948 20 30 EHEDMO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)n1 ZINC000192173494 1120722344 /nfs/dbraw/zinc/72/23/44/1120722344.db2.gz QRJVZZKUAUJJPV-MRXNPFEDSA-N 1 1 333.357 3.591 20 30 EHEDMO CC[N@H+](C[C@@H](O)COc1ccc(-c2ccccc2)cc1)C[C@H](C)C#N ZINC000227568328 1120894161 /nfs/dbraw/zinc/89/41/61/1120894161.db2.gz SJGURQPMRKVQIV-YLJYHZDGSA-N 1 1 338.451 3.575 20 30 EHEDMO CC[N@@H+](C[C@@H](O)COc1ccc(-c2ccccc2)cc1)C[C@H](C)C#N ZINC000227568328 1120894165 /nfs/dbraw/zinc/89/41/65/1120894165.db2.gz SJGURQPMRKVQIV-YLJYHZDGSA-N 1 1 338.451 3.575 20 30 EHEDMO Cc1[nH+]c(C=NNc2ccc(OC(F)(F)F)cc2)c2ccccn12 ZINC000914599836 1120921489 /nfs/dbraw/zinc/92/14/89/1120921489.db2.gz MRJPPMKIJCTUSY-UHFFFAOYSA-N 1 1 334.301 3.987 20 30 EHEDMO Fc1ccccc1N=NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000914695264 1120952944 /nfs/dbraw/zinc/95/29/44/1120952944.db2.gz MPBZICPQOPSRJX-UHFFFAOYSA-N 1 1 327.403 3.746 20 30 EHEDMO Cc1cc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)ccc1C#N ZINC000487881510 1121043686 /nfs/dbraw/zinc/04/36/86/1121043686.db2.gz AHPQPTDXBKQCLH-IBGZPJMESA-N 1 1 334.419 3.975 20 30 EHEDMO C[C@@H](C#N)C[N@@H+](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000495719105 1121377153 /nfs/dbraw/zinc/37/71/53/1121377153.db2.gz HODDXCDRPLUMSU-JKSUJKDBSA-N 1 1 335.492 3.648 20 30 EHEDMO C[C@@H]([NH2+]Cc1cc(O)ccc1Br)c1ccc(C#N)cc1 ZINC000315589629 1121509713 /nfs/dbraw/zinc/50/97/13/1121509713.db2.gz NZALGYIXWVRPQG-LLVKDONJSA-N 1 1 331.213 3.877 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000272439612 1121640109 /nfs/dbraw/zinc/64/01/09/1121640109.db2.gz IMLITLUGQCQETE-HDMKZQKVSA-N 1 1 343.471 3.854 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000272439611 1121640317 /nfs/dbraw/zinc/64/03/17/1121640317.db2.gz IMLITLUGQCQETE-DAYGRLMNSA-N 1 1 343.471 3.854 20 30 EHEDMO C=C(C)CN(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC000672556715 1129012229 /nfs/dbraw/zinc/01/22/29/1129012229.db2.gz VYUUCRWQYBWGSW-KRWDZBQOSA-N 1 1 337.895 3.940 20 30 EHEDMO CCC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCc2ccccc2C1 ZINC000763236779 1121917101 /nfs/dbraw/zinc/91/71/01/1121917101.db2.gz UBPLKHLYHDLVQD-YADHBBJMSA-N 1 1 334.463 3.861 20 30 EHEDMO CC1(C)CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000077382732 1129021143 /nfs/dbraw/zinc/02/11/43/1129021143.db2.gz MYKJDRBURHZKAP-UHFFFAOYSA-N 1 1 331.485 3.702 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2ccnc(OCc3ccccc3)c2)c(F)c1 ZINC000347680374 1129031792 /nfs/dbraw/zinc/03/17/92/1129031792.db2.gz FUJFCHVNCQXDNP-UHFFFAOYSA-N 1 1 347.393 3.961 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CCCC(C)(C)C#N)C[C@H]2C1 ZINC000496776288 1122176454 /nfs/dbraw/zinc/17/64/54/1122176454.db2.gz JGRQFHUFPWJRLE-CVEARBPZSA-N 1 1 335.492 3.505 20 30 EHEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000763398124 1122227093 /nfs/dbraw/zinc/22/70/93/1122227093.db2.gz QFZAQMTVXRFWOT-RTWAWAEBSA-N 1 1 336.435 3.610 20 30 EHEDMO C=C(C)COCC[NH2+][C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000125766256 1122335144 /nfs/dbraw/zinc/33/51/44/1122335144.db2.gz CUBMUNAGKXXULF-HXUWFJFHSA-N 1 1 338.451 3.857 20 30 EHEDMO C=C(C)COCC[NH2+][C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000125766503 1122335676 /nfs/dbraw/zinc/33/56/76/1122335676.db2.gz CUBMUNAGKXXULF-FQEVSTJZSA-N 1 1 338.451 3.857 20 30 EHEDMO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CCCC1 ZINC000648999547 1122392875 /nfs/dbraw/zinc/39/28/75/1122392875.db2.gz CPIBZHXCISVUTF-IBGZPJMESA-N 1 1 326.484 3.856 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000066954996 1122492442 /nfs/dbraw/zinc/49/24/42/1122492442.db2.gz LLPHNEQCYPJUBW-HUUCEWRRSA-N 1 1 346.500 3.544 20 30 EHEDMO C#CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000917117491 1122511611 /nfs/dbraw/zinc/51/16/11/1122511611.db2.gz JRYHLHSTBRUDEY-SFHVURJKSA-N 1 1 336.391 3.726 20 30 EHEDMO C#CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000917117491 1122511614 /nfs/dbraw/zinc/51/16/14/1122511614.db2.gz JRYHLHSTBRUDEY-SFHVURJKSA-N 1 1 336.391 3.726 20 30 EHEDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497618635 1122611034 /nfs/dbraw/zinc/61/10/34/1122611034.db2.gz FQHBDUDIEDGBMX-HNNXBMFYSA-N 1 1 339.395 3.928 20 30 EHEDMO N#CCCCOc1cccc(C[NH2+]Cc2ccn(C3CCCC3)n2)c1 ZINC000129060735 1122727383 /nfs/dbraw/zinc/72/73/83/1122727383.db2.gz NMSONPWLBHVNHO-UHFFFAOYSA-N 1 1 338.455 3.971 20 30 EHEDMO Cc1nn2c(nc3ccccc3c2=O)c1=C[NH2+]Nc1cc(C)ccc1C ZINC000918710690 1122899335 /nfs/dbraw/zinc/89/93/35/1122899335.db2.gz ZHYRMBGWESQSIX-UHFFFAOYSA-N 1 1 345.406 3.547 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(Cl)c2)c1 ZINC000918740301 1122902764 /nfs/dbraw/zinc/90/27/64/1122902764.db2.gz ZJZIPMAJQVLAMZ-AWEZNQCLSA-N 1 1 326.827 3.953 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(Cl)c2)c1 ZINC000918740301 1122902768 /nfs/dbraw/zinc/90/27/68/1122902768.db2.gz ZJZIPMAJQVLAMZ-AWEZNQCLSA-N 1 1 326.827 3.953 20 30 EHEDMO C=CCOc1ccc(CN[C@H](C[NH+](C)C)c2ccc(OC)cc2)cc1 ZINC000556409886 1122967535 /nfs/dbraw/zinc/96/75/35/1122967535.db2.gz HDBDXFJUOKTTGI-OAQYLSRUSA-N 1 1 340.467 3.653 20 30 EHEDMO N#Cc1ccc(OCC[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000195039980 1123122693 /nfs/dbraw/zinc/12/26/93/1123122693.db2.gz AQERYHVLOFZOFY-SFHVURJKSA-N 1 1 335.432 3.773 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCC[C@H]2C2CCOCC2)cc(OC)c1O ZINC000347684493 1129101825 /nfs/dbraw/zinc/10/18/25/1129101825.db2.gz QRZOZLBODZCYNY-SFHVURJKSA-N 1 1 331.456 3.520 20 30 EHEDMO C#Cc1cccc(NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000919772849 1123147264 /nfs/dbraw/zinc/14/72/64/1123147264.db2.gz OBVMFLLOCQIZSO-OXJNMPFZSA-N 1 1 333.435 3.625 20 30 EHEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000499047420 1123163999 /nfs/dbraw/zinc/16/39/99/1123163999.db2.gz FFGIUHZRCCGQSA-OAHLLOKOSA-N 1 1 346.471 3.623 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000499047420 1123164002 /nfs/dbraw/zinc/16/40/02/1123164002.db2.gz FFGIUHZRCCGQSA-OAHLLOKOSA-N 1 1 346.471 3.623 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCOc3ccccc3C2)c1O ZINC000919941638 1123240145 /nfs/dbraw/zinc/24/01/45/1123240145.db2.gz ORHBYANTRIEDPH-UHFFFAOYSA-N 1 1 339.435 3.914 20 30 EHEDMO CC(C)N1CC[NH+](CCCSc2cccc(C#N)c2Cl)CC1 ZINC000920281632 1123349993 /nfs/dbraw/zinc/34/99/93/1123349993.db2.gz GCXNCSSAERPSAM-UHFFFAOYSA-N 1 1 337.920 3.720 20 30 EHEDMO CC[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000609625628 1123628011 /nfs/dbraw/zinc/62/80/11/1123628011.db2.gz DWNZZHZTWZVXAZ-FQEVSTJZSA-N 1 1 333.435 3.896 20 30 EHEDMO CC[C@@H]1c2ccccc2CC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000609625694 1123628072 /nfs/dbraw/zinc/62/80/72/1123628072.db2.gz ONNHPLHVQFINMP-LJQANCHMSA-N 1 1 339.483 3.681 20 30 EHEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000609625694 1123628073 /nfs/dbraw/zinc/62/80/73/1123628073.db2.gz ONNHPLHVQFINMP-LJQANCHMSA-N 1 1 339.483 3.681 20 30 EHEDMO C[N@@H+](CCCNC(=O)c1cccc(SCC#N)c1)C1CCCCC1 ZINC000079528531 1123701082 /nfs/dbraw/zinc/70/10/82/1123701082.db2.gz JKGINEGJRKEXQT-UHFFFAOYSA-N 1 1 345.512 3.687 20 30 EHEDMO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000610004014 1123711420 /nfs/dbraw/zinc/71/14/20/1123711420.db2.gz YUXDFCVCJUQLBY-CQSZACIVSA-N 1 1 337.398 3.645 20 30 EHEDMO CCCCC[C@H]([NH3+])c1nc(-c2ccc(Br)cc2C#N)no1 ZINC001212270900 1123825930 /nfs/dbraw/zinc/82/59/30/1123825930.db2.gz JKJNGWKPJMJGAM-ZDUSSCGKSA-N 1 1 349.232 3.951 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000245447992 1123830033 /nfs/dbraw/zinc/83/00/33/1123830033.db2.gz MMOQPRRANYYBHF-OAGGEKHMSA-N 1 1 345.512 3.997 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000245447992 1123830036 /nfs/dbraw/zinc/83/00/36/1123830036.db2.gz MMOQPRRANYYBHF-OAGGEKHMSA-N 1 1 345.512 3.997 20 30 EHEDMO CCN(Cc1ccc(C[N@H+](CC)C[C@H](C)C#N)cc1)C[C@H](C)C#N ZINC000246195921 1124048320 /nfs/dbraw/zinc/04/83/20/1124048320.db2.gz XBXGQVQKBVMFSS-QZTJIDSGSA-N 1 1 326.488 3.650 20 30 EHEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000180804623 1124080474 /nfs/dbraw/zinc/08/04/74/1124080474.db2.gz FFXGJDAXGOSTPG-GFCCVEGCSA-N 1 1 340.374 3.672 20 30 EHEDMO C=CCNC(=O)C[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000181129444 1124544004 /nfs/dbraw/zinc/54/40/04/1124544004.db2.gz FJFBKOIDAYQBDL-UHFFFAOYSA-N 1 1 339.222 3.645 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1C ZINC000247524625 1124615861 /nfs/dbraw/zinc/61/58/61/1124615861.db2.gz NSORPVVEFSMIQM-AZUAARDMSA-N 1 1 339.483 3.815 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc3nccc(Cl)c3c2)no1 ZINC001212325469 1124669421 /nfs/dbraw/zinc/66/94/21/1124669421.db2.gz RXFHDIHGEQPPQU-AWEZNQCLSA-N 1 1 326.787 3.742 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(C)cc2Br)no1 ZINC001212325567 1124670220 /nfs/dbraw/zinc/67/02/20/1124670220.db2.gz VGZAFEZTPNVWMR-ZDUSSCGKSA-N 1 1 334.217 3.611 20 30 EHEDMO CCOCCC[N@H+]1CCC(N=Nc2cccc3ncccc23)[C@@H](C)C1 ZINC000735227115 1131317788 /nfs/dbraw/zinc/31/77/88/1131317788.db2.gz LJIPWNDFQGMNQO-INIZCTEOSA-N 1 1 340.471 3.771 20 30 EHEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+](CC2CC2)C2CCCCC2)cc1 ZINC000069608122 1124938207 /nfs/dbraw/zinc/93/82/07/1124938207.db2.gz SJZLRGCPYJTMTC-FQEVSTJZSA-N 1 1 342.483 3.537 20 30 EHEDMO CC(C)COC1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735308804 1131333843 /nfs/dbraw/zinc/33/38/43/1131333843.db2.gz UBSPGUYUFMUXKP-UHFFFAOYSA-N 1 1 336.863 3.879 20 30 EHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)C1(CC)CC ZINC000763566960 1125339703 /nfs/dbraw/zinc/33/97/03/1125339703.db2.gz OIZAWUYIQYYCEB-IPMKNSEASA-N 1 1 330.472 3.507 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000619532297 1125358580 /nfs/dbraw/zinc/35/85/80/1125358580.db2.gz FKIPVSIWZKPHNN-CBGDNZLLSA-N 1 1 342.483 3.646 20 30 EHEDMO N#CCC[N@H+](CCc1cc(Cl)c2c(c1)OCCCO2)CC1CC1 ZINC000182814252 1125372910 /nfs/dbraw/zinc/37/29/10/1125372910.db2.gz FNTUXWPOFUFMOM-UHFFFAOYSA-N 1 1 334.847 3.669 20 30 EHEDMO Cc1ccccc1[C@H](CC(C)C)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115600187 1129277499 /nfs/dbraw/zinc/27/74/99/1129277499.db2.gz ILUNAGDSMKNSNU-VQTJNVASSA-N 1 1 335.451 3.770 20 30 EHEDMO C=CC[C@H](CC)NC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000543241854 1129365214 /nfs/dbraw/zinc/36/52/14/1129365214.db2.gz NEAZGHIPRQPHCJ-KVPLUYHFSA-N 1 1 343.515 3.797 20 30 EHEDMO C=CC[C@@H](CC)NC(=O)N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000466409765 1129430559 /nfs/dbraw/zinc/43/05/59/1129430559.db2.gz NZJMCFLZTUBFNX-LJQANCHMSA-N 1 1 335.536 3.885 20 30 EHEDMO CCC[N@H+](Cc1ccc(F)cc1)Cc1cccc(C(=O)OC)c1C#N ZINC000534463062 1129499710 /nfs/dbraw/zinc/49/97/10/1129499710.db2.gz ZABPFMNVAHXYCO-UHFFFAOYSA-N 1 1 340.398 3.896 20 30 EHEDMO CCC[N@@H+](Cc1ccc(F)cc1)Cc1cccc(C(=O)OC)c1C#N ZINC000534463062 1129499711 /nfs/dbraw/zinc/49/97/11/1129499711.db2.gz ZABPFMNVAHXYCO-UHFFFAOYSA-N 1 1 340.398 3.896 20 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C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000172395203 1130129501 /nfs/dbraw/zinc/12/95/01/1130129501.db2.gz LMTPHBCAOMGHHK-APWZRJJASA-N 1 1 333.435 3.970 20 30 EHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000172838242 1130163851 /nfs/dbraw/zinc/16/38/51/1130163851.db2.gz ALYZVRQBZOAPCF-UHFFFAOYSA-N 1 1 346.333 3.520 20 30 EHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000172838242 1130163855 /nfs/dbraw/zinc/16/38/55/1130163855.db2.gz ALYZVRQBZOAPCF-UHFFFAOYSA-N 1 1 346.333 3.520 20 30 EHEDMO Cc1ccc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000701831813 1130175556 /nfs/dbraw/zinc/17/55/56/1130175556.db2.gz SOAAKSIRBHTUBT-NQIIRXRSSA-N 1 1 333.479 3.867 20 30 EHEDMO Cc1ccc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000701831813 1130175560 /nfs/dbraw/zinc/17/55/60/1130175560.db2.gz SOAAKSIRBHTUBT-NQIIRXRSSA-N 1 1 333.479 3.867 20 30 EHEDMO C#Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000731536466 1130810602 /nfs/dbraw/zinc/81/06/02/1130810602.db2.gz OICFKMYRCNCMPC-HXUWFJFHSA-N 1 1 339.483 3.834 20 30 EHEDMO C=CC[N@H+](Cn1nc(-c2ccc(Br)cc2)nc1C)C(C)C ZINC000732178651 1130893732 /nfs/dbraw/zinc/89/37/32/1130893732.db2.gz DVYYATWVNTVATD-UHFFFAOYSA-N 1 1 349.276 3.870 20 30 EHEDMO C=CC[N@@H+](Cn1nc(-c2ccc(Br)cc2)nc1C)C(C)C ZINC000732178651 1130893737 /nfs/dbraw/zinc/89/37/37/1130893737.db2.gz DVYYATWVNTVATD-UHFFFAOYSA-N 1 1 349.276 3.870 20 30 EHEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000732209796 1130897627 /nfs/dbraw/zinc/89/76/27/1130897627.db2.gz SQZAYXOIJHVXGZ-WWMYMODYSA-N 1 1 336.435 3.939 20 30 EHEDMO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000732204004 1130900042 /nfs/dbraw/zinc/90/00/42/1130900042.db2.gz OITIMBPNMJOIGC-WMLDXEAASA-N 1 1 339.405 3.932 20 30 EHEDMO C#CCCOc1ccc(CNCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000733324546 1131025516 /nfs/dbraw/zinc/02/55/16/1131025516.db2.gz JIBPQKJIVNXUMX-KDURUIRLSA-N 1 1 328.500 3.546 20 30 EHEDMO C#CCCOc1ccc(CNCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000733324546 1131025522 /nfs/dbraw/zinc/02/55/22/1131025522.db2.gz JIBPQKJIVNXUMX-KDURUIRLSA-N 1 1 328.500 3.546 20 30 EHEDMO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(Cl)o2)ccc1OC ZINC000733330278 1131027608 /nfs/dbraw/zinc/02/76/08/1131027608.db2.gz QVHDJHTUGFZPQU-ZDUSSCGKSA-N 1 1 334.803 3.912 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347969780 1131109657 /nfs/dbraw/zinc/10/96/57/1131109657.db2.gz BIUGBIXXKYQWSA-UHFFFAOYSA-N 1 1 329.403 3.728 20 30 EHEDMO COc1ccc(C#N)cc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347969780 1131109661 /nfs/dbraw/zinc/10/96/61/1131109661.db2.gz BIUGBIXXKYQWSA-UHFFFAOYSA-N 1 1 329.403 3.728 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000734158841 1131204831 /nfs/dbraw/zinc/20/48/31/1131204831.db2.gz LZTOSEJQWJNIOY-KBPBESRZSA-N 1 1 331.485 3.760 20 30 EHEDMO FC(F)(F)c1cccc(N=NC2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000739422216 1131501211 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EHEDMO C[C@@H](CCCC#N)[N@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001172496577 1131758272 /nfs/dbraw/zinc/75/82/72/1131758272.db2.gz OEEPWGHKGHMQIV-INIZCTEOSA-N 1 1 335.492 3.792 20 30 EHEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccs1)C2 ZINC001172496289 1131758915 /nfs/dbraw/zinc/75/89/15/1131758915.db2.gz ZHYBTIFHEBDWRD-LPHOPBHVSA-N 1 1 345.512 3.759 20 30 EHEDMO C[C@@H](CCCC#N)[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC001172496120 1131759256 /nfs/dbraw/zinc/75/92/56/1131759256.db2.gz KDAPUAMFFSIRGW-YESZJQIVSA-N 1 1 335.492 3.648 20 30 EHEDMO CC(C)OC(=O)CC[C@H](C)[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001172773153 1131842654 /nfs/dbraw/zinc/84/26/54/1131842654.db2.gz LWTHSOBQAZVBQV-LPHOPBHVSA-N 1 1 344.455 3.522 20 30 EHEDMO CC(C)OC(=O)CC[C@H](C)[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001172773155 1131843139 /nfs/dbraw/zinc/84/31/39/1131843139.db2.gz LWTHSOBQAZVBQV-QFBILLFUSA-N 1 1 344.455 3.522 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H](CF)c2ccccc2)C[C@H]1C#N 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EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc(Cl)cc1C#N ZINC001191060120 1134784572 /nfs/dbraw/zinc/78/45/72/1134784572.db2.gz XTPFKQPZMNDOFA-MRXNPFEDSA-N 1 1 339.870 3.918 20 30 EHEDMO N#Cc1cccc(COc2cccc(C[NH2+]Cc3cccnc3F)c2)c1 ZINC000793283017 1134902211 /nfs/dbraw/zinc/90/22/11/1134902211.db2.gz YOMZQJSEMFAPQE-UHFFFAOYSA-N 1 1 347.393 3.961 20 30 EHEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC001192653915 1135039516 /nfs/dbraw/zinc/03/95/16/1135039516.db2.gz QNYXUOQMNDYGQQ-AWEZNQCLSA-N 1 1 332.831 3.991 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC001192653915 1135039520 /nfs/dbraw/zinc/03/95/20/1135039520.db2.gz QNYXUOQMNDYGQQ-AWEZNQCLSA-N 1 1 332.831 3.991 20 30 EHEDMO CCC#C[C@@H](C)[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC001192673433 1135044631 /nfs/dbraw/zinc/04/46/31/1135044631.db2.gz NBOLCFZRVQSGKU-VXGBXAGGSA-N 1 1 338.245 3.673 20 30 EHEDMO C[N@H+](Cc1cccc(F)c1C#N)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000794385130 1135046479 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342.483 3.693 20 30 EHEDMO N#Cc1cnc(N2CC[N@H+]3CC[C@@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001158434086 1135831137 /nfs/dbraw/zinc/83/11/37/1135831137.db2.gz RGWIKVRCVOVPRX-MRXNPFEDSA-N 1 1 346.459 3.729 20 30 EHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H](N2CCCC2)C[C@H]1C(C)C ZINC001198622734 1135843764 /nfs/dbraw/zinc/84/37/64/1135843764.db2.gz NLFVAWPTSULYOQ-FPOVZHCZSA-N 1 1 325.500 3.870 20 30 EHEDMO Cc1cc(C#N)cc(C)c1CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001198622734 1135843769 /nfs/dbraw/zinc/84/37/69/1135843769.db2.gz NLFVAWPTSULYOQ-FPOVZHCZSA-N 1 1 325.500 3.870 20 30 EHEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)cc1 ZINC000809579445 1135853925 /nfs/dbraw/zinc/85/39/25/1135853925.db2.gz XPZIPULQUKXANP-HXUWFJFHSA-N 1 1 348.446 3.588 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)cc1 ZINC000809579445 1135853929 /nfs/dbraw/zinc/85/39/29/1135853929.db2.gz XPZIPULQUKXANP-HXUWFJFHSA-N 1 1 348.446 3.588 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2COC(=O)NC2CCCCC2)s1 ZINC000809719987 1135878273 /nfs/dbraw/zinc/87/82/73/1135878273.db2.gz UTCAGDMVVYAGIA-HNNXBMFYSA-N 1 1 347.484 3.643 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2COC(=O)NC2CCCCC2)s1 ZINC000809719987 1135878276 /nfs/dbraw/zinc/87/82/76/1135878276.db2.gz UTCAGDMVVYAGIA-HNNXBMFYSA-N 1 1 347.484 3.643 20 30 EHEDMO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000810033297 1135917470 /nfs/dbraw/zinc/91/74/70/1135917470.db2.gz FEGYOBPYJYMKHW-LJQANCHMSA-N 1 1 341.455 3.582 20 30 EHEDMO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000810033297 1135917472 /nfs/dbraw/zinc/91/74/72/1135917472.db2.gz FEGYOBPYJYMKHW-LJQANCHMSA-N 1 1 341.455 3.582 20 30 EHEDMO N#Cc1ccc(C(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)[nH]1 ZINC001199680025 1135919750 /nfs/dbraw/zinc/91/97/50/1135919750.db2.gz CNAHFWDCSHHHSP-UHFFFAOYSA-N 1 1 342.402 3.654 20 30 EHEDMO N#Cc1ccc(C(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)[nH]1 ZINC001199680025 1135919754 /nfs/dbraw/zinc/91/97/54/1135919754.db2.gz CNAHFWDCSHHHSP-UHFFFAOYSA-N 1 1 342.402 3.654 20 30 EHEDMO CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000776156396 1136008982 /nfs/dbraw/zinc/00/89/82/1136008982.db2.gz LYDNBTMTQXDOIA-PKOBYXMFSA-N 1 1 329.488 3.894 20 30 EHEDMO CCCC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000776156396 1136008984 /nfs/dbraw/zinc/00/89/84/1136008984.db2.gz LYDNBTMTQXDOIA-PKOBYXMFSA-N 1 1 329.488 3.894 20 30 EHEDMO CCCCCCCCC[N@@H+]1Cc2ccnn2C[C@@H](C(=O)NC(C)C)C1 ZINC001201840018 1136069529 /nfs/dbraw/zinc/06/95/29/1136069529.db2.gz RRHFFHGJAVKTOA-SFHVURJKSA-N 1 1 348.535 3.590 20 30 EHEDMO N#Cc1csc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)n1 ZINC000811466973 1136090782 /nfs/dbraw/zinc/09/07/82/1136090782.db2.gz BUZMCEBKCDOIGB-ZWKOTPCHSA-N 1 1 341.480 3.883 20 30 EHEDMO N#Cc1csc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)n1 ZINC000811466973 1136090785 /nfs/dbraw/zinc/09/07/85/1136090785.db2.gz BUZMCEBKCDOIGB-ZWKOTPCHSA-N 1 1 341.480 3.883 20 30 EHEDMO C#C[C@H]([NH2+]Cc1cccc(OCCOC)c1)c1ccc(Cl)cc1 ZINC000811517482 1136097677 /nfs/dbraw/zinc/09/76/77/1136097677.db2.gz UFMPLSDHXUENRQ-IBGZPJMESA-N 1 1 329.827 3.829 20 30 EHEDMO C#C[C@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1ccc(Cl)cc1 ZINC000811516299 1136104505 /nfs/dbraw/zinc/10/45/05/1136104505.db2.gz JLUQXAPJXNXMKD-HNNXBMFYSA-N 1 1 342.851 3.718 20 30 EHEDMO C[C@@H]1C(N=Nc2ccc(C(F)(F)F)nn2)CC[N@H+]1Cc1ccccc1 ZINC000811645961 1136116613 /nfs/dbraw/zinc/11/66/13/1136116613.db2.gz GLBMLAPVTJBBOP-GFCCVEGCSA-N 1 1 349.360 3.558 20 30 EHEDMO C=CC[N@@H+](CC1CCCCC1)CN1C(=O)C2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811745561 1136128831 /nfs/dbraw/zinc/12/88/31/1136128831.db2.gz PAKVICPHSLIZDN-RBUKOAKNSA-N 1 1 346.515 3.572 20 30 EHEDMO C=CC[N@@H+](CC1CCCCC1)CN1C(=O)C2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811745559 1136128862 /nfs/dbraw/zinc/12/88/62/1136128862.db2.gz PAKVICPHSLIZDN-MOPGFXCFSA-N 1 1 346.515 3.572 20 30 EHEDMO C=CCN1CC[C@@H]([N@@H+]2CCCCC[C@H]2Cc2ccccc2Cl)C1=O ZINC001170668180 1136186206 /nfs/dbraw/zinc/18/62/06/1136186206.db2.gz BITXQJFYONLFAE-PKOBYXMFSA-N 1 1 346.902 3.914 20 30 EHEDMO CC(C)OCCON=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000812239353 1136188143 /nfs/dbraw/zinc/18/81/43/1136188143.db2.gz SHPVFOQNQQWRPU-RBUKOAKNSA-N 1 1 330.472 3.716 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812834394 1136257130 /nfs/dbraw/zinc/25/71/30/1136257130.db2.gz DISFEIYARJSEKH-GOSISDBHSA-N 1 1 343.471 3.602 20 30 EHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000109811842 1136347030 /nfs/dbraw/zinc/34/70/30/1136347030.db2.gz SJRLEMRFAOUWBZ-MRXNPFEDSA-N 1 1 337.508 3.895 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC([C@H]2CCC[N@@H+](CC3(C#N)CC3)C2)CC1 ZINC000852300574 1136446648 /nfs/dbraw/zinc/44/66/48/1136446648.db2.gz JZBJZZHDPJIRQF-KRWDZBQOSA-N 1 1 347.503 3.649 20 30 EHEDMO C=C(CC)C[N@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852472847 1136458332 /nfs/dbraw/zinc/45/83/32/1136458332.db2.gz GXHMSHHQYVNLPB-CABCVRRESA-N 1 1 332.410 3.608 20 30 EHEDMO C=CCCCC[N@@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852475497 1136458653 /nfs/dbraw/zinc/45/86/53/1136458653.db2.gz DSERXDVFZSTZBK-CVEARBPZSA-N 1 1 346.437 3.998 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[NH+]1CCC(c2ccon2)CC1 ZINC000852672776 1136475714 /nfs/dbraw/zinc/47/57/14/1136475714.db2.gz JFHKSBSCZVSDAN-UHFFFAOYSA-N 1 1 331.803 3.610 20 30 EHEDMO C=CCC(F)(F)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000814774851 1136504234 /nfs/dbraw/zinc/50/42/34/1136504234.db2.gz HFPZFMKMMKGFMD-HNNXBMFYSA-N 1 1 342.817 3.805 20 30 EHEDMO OC1CCN(c2ccc(C=[NH+]Nc3ccc(Cl)c(F)c3)cc2)CC1 ZINC000853313001 1136525614 /nfs/dbraw/zinc/52/56/14/1136525614.db2.gz BPEIPEVNLADMOD-UHFFFAOYSA-N 1 1 347.821 3.886 20 30 EHEDMO N#CCCCOc1cccc(C[NH2+]Cc2ccn(-c3ccccc3)n2)c1 ZINC000338956635 1136549671 /nfs/dbraw/zinc/54/96/71/1136549671.db2.gz LDKLADQZPPVAGE-UHFFFAOYSA-N 1 1 346.434 3.845 20 30 EHEDMO Cn1ncc(C[NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)c1Cl ZINC000815125902 1136553887 /nfs/dbraw/zinc/55/38/87/1136553887.db2.gz PSGOMQKRBLQIAJ-UHFFFAOYSA-N 1 1 342.855 3.963 20 30 EHEDMO N#Cc1ccc(OCCC[N@@H+]2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000817282337 1136791714 /nfs/dbraw/zinc/79/17/14/1136791714.db2.gz ZUSIWAGWQYLEGO-OAHLLOKOSA-N 1 1 326.362 3.992 20 30 EHEDMO N#CCC1(C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817583759 1136825091 /nfs/dbraw/zinc/82/50/91/1136825091.db2.gz INHKHWJYRCHVBX-LLVKDONJSA-N 1 1 326.263 3.640 20 30 EHEDMO C[N@H+]1CCC[C@@H](c2cccc(C(=O)NCC(C)(C)CCC#N)c2)C1 ZINC000857259317 1136857743 /nfs/dbraw/zinc/85/77/43/1136857743.db2.gz STVXVJBJSCJIPM-GOSISDBHSA-N 1 1 327.472 3.556 20 30 EHEDMO N#CC[C@H]1CCC[N@H+]([C@@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170886223 1136858177 /nfs/dbraw/zinc/85/81/77/1136858177.db2.gz PPHSUSVQTSKOGP-CXAGYDPISA-N 1 1 333.273 3.932 20 30 EHEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858041970 1136934160 /nfs/dbraw/zinc/93/41/60/1136934160.db2.gz CZVGWBKEPWFCPN-GOSISDBHSA-N 1 1 337.398 3.623 20 30 EHEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858041970 1136934163 /nfs/dbraw/zinc/93/41/63/1136934163.db2.gz CZVGWBKEPWFCPN-GOSISDBHSA-N 1 1 337.398 3.623 20 30 EHEDMO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2nc(C)cs2)ccc1OC ZINC000858378675 1136962789 /nfs/dbraw/zinc/96/27/89/1136962789.db2.gz QAPSYXGOUHVSRE-HIFRSBDPSA-N 1 1 345.468 3.992 20 30 EHEDMO N#Cc1cnccc1C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000827979831 1136988944 /nfs/dbraw/zinc/98/89/44/1136988944.db2.gz FWLYADXEZSSBNP-ZWKOTPCHSA-N 1 1 341.480 3.883 20 30 EHEDMO N#CCCC[C@H]([NH3+])c1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000822647065 1137068223 /nfs/dbraw/zinc/06/82/23/1137068223.db2.gz MPGYVAUXWYFWGX-LBPRGKRZSA-N 1 1 325.199 3.661 20 30 EHEDMO N#CCCC[C@H]([NH3+])c1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000822664367 1137068905 /nfs/dbraw/zinc/06/89/05/1137068905.db2.gz OLCISCXPLUBIAF-LBPRGKRZSA-N 1 1 325.199 3.661 20 30 EHEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2cccc(-c3cscn3)c2)no1 ZINC000822863701 1137077827 /nfs/dbraw/zinc/07/78/27/1137077827.db2.gz SEHUUUCZTMGHOW-CYBMUJFWSA-N 1 1 325.397 3.554 20 30 EHEDMO CC(C)CC[N@@H+](CCC#N)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823438269 1137099598 /nfs/dbraw/zinc/09/95/98/1137099598.db2.gz SILRAIXUSLWOTN-LPHOPBHVSA-N 1 1 335.492 3.505 20 30 EHEDMO CCC[N@@H+](C)CC(C)(C)NC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000862230044 1137133680 /nfs/dbraw/zinc/13/36/80/1137133680.db2.gz XJADMPRHRILPCS-UHFFFAOYSA-N 1 1 341.499 3.607 20 30 EHEDMO C#CC[C@@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000862448525 1137145404 /nfs/dbraw/zinc/14/54/04/1137145404.db2.gz ZOIHHHQDBSNGRQ-QGZVFWFLSA-N 1 1 334.467 3.905 20 30 EHEDMO C#CCOc1ccc(C[NH2+]Cc2nc3ccccc3n2CCC)cc1 ZINC000824926161 1137158029 /nfs/dbraw/zinc/15/80/29/1137158029.db2.gz LBVLWCYRKCEJDE-UHFFFAOYSA-N 1 1 333.435 3.748 20 30 EHEDMO COc1cccc2c1C[N@@H+](Cc1ccc(N(C)CCC#N)cc1)CC2 ZINC000824983071 1137161006 /nfs/dbraw/zinc/16/10/06/1137161006.db2.gz QCSWVDUQVZJPEV-UHFFFAOYSA-N 1 1 335.451 3.603 20 30 EHEDMO C#CCCCCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000119606593 1137201896 /nfs/dbraw/zinc/20/18/96/1137201896.db2.gz BSTJHRMBELVFPB-GOSISDBHSA-N 1 1 326.484 3.871 20 30 EHEDMO C[C@H](C#N)C[N@H+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000844289027 1137209506 /nfs/dbraw/zinc/20/95/06/1137209506.db2.gz AUBFIOQQMUIDNR-OAHLLOKOSA-N 1 1 343.471 3.571 20 30 EHEDMO C[C@H](C#N)C[N@@H+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000844289027 1137209507 /nfs/dbraw/zinc/20/95/07/1137209507.db2.gz AUBFIOQQMUIDNR-OAHLLOKOSA-N 1 1 343.471 3.571 20 30 EHEDMO CC[C@@H](CC#N)OC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000805927208 1137210953 /nfs/dbraw/zinc/21/09/53/1137210953.db2.gz BMISEADKSRSIJK-SJORKVTESA-N 1 1 344.455 3.789 20 30 EHEDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370251 1137212939 /nfs/dbraw/zinc/21/29/39/1137212939.db2.gz GKPZOLWYBLBRNF-IFXJQAMLSA-N 1 1 339.395 3.501 20 30 EHEDMO CC[C@@H](c1ccc(F)cc1F)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844369904 1137213346 /nfs/dbraw/zinc/21/33/46/1137213346.db2.gz OAYSHHCMZWGETI-OALUTQOASA-N 1 1 330.378 3.953 20 30 EHEDMO C=CC[N@H+](Cc1cccs1)Cc1cc(OC)ccc1OCOC ZINC000119940897 1137219868 /nfs/dbraw/zinc/21/98/68/1137219868.db2.gz CMKLXZFEUZLCDC-UHFFFAOYSA-N 1 1 333.453 3.928 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cc(OC)ccc1OCOC ZINC000119940897 1137219870 /nfs/dbraw/zinc/21/98/70/1137219870.db2.gz CMKLXZFEUZLCDC-UHFFFAOYSA-N 1 1 333.453 3.928 20 30 EHEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000794656668 1137224428 /nfs/dbraw/zinc/22/44/28/1137224428.db2.gz ICHIWIDCTSXKOW-IUODEOHRSA-N 1 1 334.345 3.652 20 30 EHEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000794656668 1137224429 /nfs/dbraw/zinc/22/44/29/1137224429.db2.gz ICHIWIDCTSXKOW-IUODEOHRSA-N 1 1 334.345 3.652 20 30 EHEDMO C=C(Br)C[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000794687604 1137230049 /nfs/dbraw/zinc/23/00/49/1137230049.db2.gz DRSFRXBHAMKBMU-SJORKVTESA-N 1 1 332.241 3.960 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000794707510 1137239657 /nfs/dbraw/zinc/23/96/57/1137239657.db2.gz UIMWXXUAWZBKTQ-SFHVURJKSA-N 1 1 337.471 3.841 20 30 EHEDMO C#CCCC[N@@H+](Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000794809500 1137261495 /nfs/dbraw/zinc/26/14/95/1137261495.db2.gz XNGKDOGPULOVOE-QHCPKHFHSA-N 1 1 347.506 3.962 20 30 EHEDMO C#CCCCN(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000794809500 1137261497 /nfs/dbraw/zinc/26/14/97/1137261497.db2.gz XNGKDOGPULOVOE-QHCPKHFHSA-N 1 1 347.506 3.962 20 30 EHEDMO C#CCCCN(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000794809500 1137261498 /nfs/dbraw/zinc/26/14/98/1137261498.db2.gz XNGKDOGPULOVOE-QHCPKHFHSA-N 1 1 347.506 3.962 20 30 EHEDMO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000794827138 1137267783 /nfs/dbraw/zinc/26/77/83/1137267783.db2.gz ICLDHUZTTMJBHL-FPOVZHCZSA-N 1 1 348.490 3.871 20 30 EHEDMO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000794827138 1137267784 /nfs/dbraw/zinc/26/77/84/1137267784.db2.gz ICLDHUZTTMJBHL-FPOVZHCZSA-N 1 1 348.490 3.871 20 30 EHEDMO CCOc1ccc(/C=N\C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000794835844 1137275710 /nfs/dbraw/zinc/27/57/10/1137275710.db2.gz ZDOADFFBINZQNX-GFHXCNCHSA-N 1 1 338.451 3.732 20 30 EHEDMO [NH2+]=C(Nc1cccc2ccc(=O)oc21)c1ccc2cc(O)ccc2c1 ZINC001171184314 1137293968 /nfs/dbraw/zinc/29/39/68/1137293968.db2.gz JXYXRYHIVLRECA-UHFFFAOYSA-N 1 1 330.343 3.689 20 30 EHEDMO CCC1CCC([NH2+][C@@H](C)Cc2cccc(C#N)c2)(C(=O)OC)CC1 ZINC001171191581 1137298506 /nfs/dbraw/zinc/29/85/06/1137298506.db2.gz BORDKSFGYGAJTK-SHPPYHEDSA-N 1 1 328.456 3.591 20 30 EHEDMO C=C[C@@H](C)ONC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000845638837 1137301881 /nfs/dbraw/zinc/30/18/81/1137301881.db2.gz NQEAVDXAEQMJNY-MRXNPFEDSA-N 1 1 345.487 3.756 20 30 EHEDMO C[C@H]1C[N@H+](CCCOc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000120715452 1137306544 /nfs/dbraw/zinc/30/65/44/1137306544.db2.gz XXFNGRRZCPDKBG-HNAYVOBHSA-N 1 1 342.464 3.851 20 30 EHEDMO C[C@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000120715452 1137306546 /nfs/dbraw/zinc/30/65/46/1137306546.db2.gz XXFNGRRZCPDKBG-HNAYVOBHSA-N 1 1 342.464 3.851 20 30 EHEDMO C#Cc1ccc(CN2CCC([N@H+](C)Cc3ccccc3F)CC2)cc1 ZINC001144579112 1137310867 /nfs/dbraw/zinc/31/08/67/1137310867.db2.gz ZBDLGUBURNGZAZ-UHFFFAOYSA-N 1 1 336.454 3.903 20 30 EHEDMO C#Cc1ccc(CN2CCC([N@@H+](C)Cc3ccccc3F)CC2)cc1 ZINC001144579112 1137310869 /nfs/dbraw/zinc/31/08/69/1137310869.db2.gz ZBDLGUBURNGZAZ-UHFFFAOYSA-N 1 1 336.454 3.903 20 30 EHEDMO C#Cc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N3CC=C)[C@H]2CC)cc1 ZINC001144568816 1137311335 /nfs/dbraw/zinc/31/13/35/1137311335.db2.gz FCTBKQJBUHPASL-IRLDBZIGSA-N 1 1 336.479 3.590 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H]2C)cc1 ZINC001144568489 1137311449 /nfs/dbraw/zinc/31/14/49/1137311449.db2.gz WVHBILKUNQFACS-QFBILLFUSA-N 1 1 342.483 3.793 20 30 EHEDMO C[N@@H+](CCCc1c(F)cccc1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC000846005601 1137324834 /nfs/dbraw/zinc/32/48/34/1137324834.db2.gz AEVDSJUXLVUDTJ-LJQANCHMSA-N 1 1 346.833 3.949 20 30 EHEDMO N#Cc1csc(C[N@@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)c1 ZINC000846010553 1137325189 /nfs/dbraw/zinc/32/51/89/1137325189.db2.gz QRKVZICFVDHYCY-KRWDZBQOSA-N 1 1 332.856 3.757 20 30 EHEDMO CCOc1c(Cl)cccc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846008206 1137325515 /nfs/dbraw/zinc/32/55/15/1137325515.db2.gz UAAIBYOFCLZWLC-GOSISDBHSA-N 1 1 344.842 3.776 20 30 EHEDMO C#CCCCCCC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000846102517 1137335457 /nfs/dbraw/zinc/33/54/57/1137335457.db2.gz TVOUNTYDXZBUQZ-GOSISDBHSA-N 1 1 346.540 3.921 20 30 EHEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)[C@H](O)c1c(F)cccc1Cl ZINC000866302930 1137343656 /nfs/dbraw/zinc/34/36/56/1137343656.db2.gz MKSBQSVRARHSNZ-RVPKQNPDSA-N 1 1 348.805 3.829 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](Cc1cccnc1)Cc1ccccn1 ZINC001171221323 1137347065 /nfs/dbraw/zinc/34/70/65/1137347065.db2.gz KPSPDLSTEDMHRW-GOSISDBHSA-N 1 1 342.446 3.982 20 30 EHEDMO COC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1cccc(Cl)c1 ZINC000866358851 1137349039 /nfs/dbraw/zinc/34/90/39/1137349039.db2.gz LAYUINXAKGDSSK-PXAZEXFGSA-N 1 1 330.815 3.956 20 30 EHEDMO C=CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)C1 ZINC001146481459 1137391249 /nfs/dbraw/zinc/39/12/49/1137391249.db2.gz AFKNHUSQJUMMHU-PXNSSMCTSA-N 1 1 344.474 3.995 20 30 EHEDMO C=CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001146481459 1137391250 /nfs/dbraw/zinc/39/12/50/1137391250.db2.gz AFKNHUSQJUMMHU-PXNSSMCTSA-N 1 1 344.474 3.995 20 30 EHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](c4ccccc4)C3)o2)cc1 ZINC000173586035 1137435430 /nfs/dbraw/zinc/43/54/30/1137435430.db2.gz TUEOCEHLCHNKIK-SFHVURJKSA-N 1 1 330.391 3.598 20 30 EHEDMO C=CCCCCC[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1nccs1 ZINC000348128082 1137443947 /nfs/dbraw/zinc/44/39/47/1137443947.db2.gz YWTFGEBQFPGZTR-HZPDHXFCSA-N 1 1 325.497 3.734 20 30 EHEDMO CN(c1ncc(C#N)cc1Cl)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000348170806 1137450006 /nfs/dbraw/zinc/45/00/06/1137450006.db2.gz SOWJCHAZOZCPGA-KRWDZBQOSA-N 1 1 340.858 3.707 20 30 EHEDMO Cc1cc(C)c(COC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c(C)[nH+]1 ZINC000869527983 1137455906 /nfs/dbraw/zinc/45/59/06/1137455906.db2.gz QYUMVEYDKZUWFV-UHFFFAOYSA-N 1 1 349.312 3.649 20 30 EHEDMO C=CCOc1ccccc1[C@H](C)Nc1cc(-n2ccnc2)nc(C)[nH+]1 ZINC001171373487 1137461319 /nfs/dbraw/zinc/46/13/19/1137461319.db2.gz SLGDWGRZVCPMHU-AWEZNQCLSA-N 1 1 335.411 3.709 20 30 EHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(OC(C)=O)cc1 ZINC000122879882 1137473898 /nfs/dbraw/zinc/47/38/98/1137473898.db2.gz OWSYLIVTYRLRIK-UHFFFAOYSA-N 1 1 325.408 3.809 20 30 EHEDMO N#Cc1ccc(CN[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cc1 ZINC000716730941 1137488485 /nfs/dbraw/zinc/48/84/85/1137488485.db2.gz IHSXBMMYEMPDSP-BDTNDASRSA-N 1 1 331.463 3.701 20 30 EHEDMO N#Cc1ccc(CN[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000716730941 1137488487 /nfs/dbraw/zinc/48/84/87/1137488487.db2.gz IHSXBMMYEMPDSP-BDTNDASRSA-N 1 1 331.463 3.701 20 30 EHEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(I)cc2)C1 ZINC001171491049 1137491448 /nfs/dbraw/zinc/49/14/48/1137491448.db2.gz RWBSNAQLPSNANR-CYBMUJFWSA-N 1 1 339.220 3.527 20 30 EHEDMO C[C@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CCc2ccc(Cl)cc21 ZINC001171718887 1137505666 /nfs/dbraw/zinc/50/56/66/1137505666.db2.gz LCVYHCACIWIQOW-WMLDXEAASA-N 1 1 332.875 3.746 20 30 EHEDMO N#Cc1ccc(C2(C(=O)Nc3cc[nH+]c(N4CCCCC4)c3)CC2)cc1 ZINC000888574545 1137542393 /nfs/dbraw/zinc/54/23/93/1137542393.db2.gz GUUPSCSFGWLPDG-UHFFFAOYSA-N 1 1 346.434 3.614 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)n1ccc(C[NH2+]Cc2ccccc2)n1 ZINC001172313174 1137546310 /nfs/dbraw/zinc/54/63/10/1137546310.db2.gz QTTIPTNTOQRYIK-KRWDZBQOSA-N 1 1 330.435 3.848 20 30 EHEDMO C=CC(C)(C)CCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000872099881 1137571139 /nfs/dbraw/zinc/57/11/39/1137571139.db2.gz GGYYEXLFKLMAQW-QGZVFWFLSA-N 1 1 342.443 4.000 20 30 EHEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@H](OC)c2ccccc2Cl)no1 ZINC000872178928 1137575471 /nfs/dbraw/zinc/57/54/71/1137575471.db2.gz WAFABHNSAVJUKA-NWDGAFQWSA-N 1 1 328.199 3.601 20 30 EHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(Cc2cc(Br)cs2)no1 ZINC000872180691 1137575482 /nfs/dbraw/zinc/57/54/82/1137575482.db2.gz ACCHOUUGGOLNTF-VIFPVBQESA-N 1 1 348.653 3.627 20 30 EHEDMO CC(C)(C)OC(=O)Nc1cc(F)cc(C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000872246769 1137576286 /nfs/dbraw/zinc/57/62/86/1137576286.db2.gz RKMRZQFAQXWMRI-ZDUSSCGKSA-N 1 1 346.406 3.706 20 30 EHEDMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000124031150 1137578002 /nfs/dbraw/zinc/57/80/02/1137578002.db2.gz GXDVZJGOHPRQEA-OAHLLOKOSA-N 1 1 333.501 3.528 20 30 EHEDMO CSc1nnc(SC)n1[NH+]=CCCc1c(F)cccc1Cl ZINC000872418013 1137579839 /nfs/dbraw/zinc/57/98/39/1137579839.db2.gz XIXKJFWUENYDDK-UHFFFAOYSA-N 1 1 344.868 3.981 20 30 EHEDMO CC[C@H]([NH2+]Cc1cccc(F)c1C#N)[C@@H](O)c1c(F)cccc1F ZINC000873064916 1137589323 /nfs/dbraw/zinc/58/93/23/1137589323.db2.gz ARXQDGUTLNBRDA-FUHWJXTLSA-N 1 1 334.341 3.577 20 30 EHEDMO C[N@H+]1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CCC1(C)C ZINC000875617108 1137635914 /nfs/dbraw/zinc/63/59/14/1137635914.db2.gz BUSAWQZHGNQDAX-SFHVURJKSA-N 1 1 342.487 3.547 20 30 EHEDMO CCCC[N@@H+](C)CC1CCN(Cc2cc(C#N)cnc2Cl)CC1 ZINC000876576397 1137656076 /nfs/dbraw/zinc/65/60/76/1137656076.db2.gz JCXVLHNNBJCVBN-UHFFFAOYSA-N 1 1 334.895 3.551 20 30 EHEDMO CCC[N@@H+](Cc1cc(C#N)cnc1Cl)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000876758430 1137660635 /nfs/dbraw/zinc/66/06/35/1137660635.db2.gz IXHCMALZIVGCJM-BZUAXINKSA-N 1 1 333.863 3.632 20 30 EHEDMO CC[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc(OC)c(OC)c1 ZINC000877515635 1137679153 /nfs/dbraw/zinc/67/91/53/1137679153.db2.gz KRCDHWGZPNHTCD-OAHLLOKOSA-N 1 1 345.830 3.865 20 30 EHEDMO COc1ccc([C@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)c(C)c1OC ZINC000877533222 1137680147 /nfs/dbraw/zinc/68/01/47/1137680147.db2.gz NDQKHDLBBMUPDQ-LBPRGKRZSA-N 1 1 345.830 3.783 20 30 EHEDMO C#CC[C@@H]1CC[N@@H+](Cc2csc(N(C(C)=O)c3ccccc3)n2)C1 ZINC000877651372 1137684402 /nfs/dbraw/zinc/68/44/02/1137684402.db2.gz XLWKIADGWKYZHZ-MRXNPFEDSA-N 1 1 339.464 3.673 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2csc(N(C(C)=O)c3ccccc3)n2)C1 ZINC000877651372 1137684403 /nfs/dbraw/zinc/68/44/03/1137684403.db2.gz XLWKIADGWKYZHZ-MRXNPFEDSA-N 1 1 339.464 3.673 20 30 EHEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000877674289 1137685462 /nfs/dbraw/zinc/68/54/62/1137685462.db2.gz SWFPJHWTTNWZQM-UNMCSNQZSA-N 1 1 335.447 3.787 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000877672733 1137685474 /nfs/dbraw/zinc/68/54/74/1137685474.db2.gz LYYOWIZBIWAZFA-OZOXKJRCSA-N 1 1 336.435 3.675 20 30 EHEDMO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)cc1C#N ZINC000877783844 1137689651 /nfs/dbraw/zinc/68/96/51/1137689651.db2.gz INPHGHHMCHTWEF-MRXNPFEDSA-N 1 1 338.455 3.793 20 30 EHEDMO COc1ccc(C[N@H+]2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)cc1C#N ZINC000877783844 1137689652 /nfs/dbraw/zinc/68/96/52/1137689652.db2.gz INPHGHHMCHTWEF-MRXNPFEDSA-N 1 1 338.455 3.793 20 30 EHEDMO Cc1csc([C@H]2CC[N@H+](Cc3ccc(N(C)CCC#N)cc3)C2)n1 ZINC000877814089 1137691013 /nfs/dbraw/zinc/69/10/13/1137691013.db2.gz SRUTXZKEANHKES-KRWDZBQOSA-N 1 1 340.496 3.791 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@H]1c1cc(C)no1)c1ccccc1 ZINC000877971879 1137697654 /nfs/dbraw/zinc/69/76/54/1137697654.db2.gz ROTFWNBXGRKMFN-ICSRJNTNSA-N 1 1 337.423 3.561 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@H]1c1cc(C)no1)c1ccccc1 ZINC000877971879 1137697655 /nfs/dbraw/zinc/69/76/55/1137697655.db2.gz ROTFWNBXGRKMFN-ICSRJNTNSA-N 1 1 337.423 3.561 20 30 EHEDMO CC[N@@H+](C[C@@H]1CC2(CO1)CCOCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000877990959 1137698731 /nfs/dbraw/zinc/69/87/31/1137698731.db2.gz KIURMDUMOGDDFK-APWZRJJASA-N 1 1 328.456 3.527 20 30 EHEDMO CC(C)[N@H+](Cc1nnc(-c2ccccc2O)o1)Cc1ccc(C#N)cc1 ZINC000878005866 1137699242 /nfs/dbraw/zinc/69/92/42/1137699242.db2.gz WSSVBBUGYPCTLF-UHFFFAOYSA-N 1 1 348.406 3.724 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000878021648 1137699847 /nfs/dbraw/zinc/69/98/47/1137699847.db2.gz MPESHIUCBDSLCS-IAGOWNOFSA-N 1 1 347.503 3.792 20 30 EHEDMO N#CC1(C[N@@H+]2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000879058343 1137736471 /nfs/dbraw/zinc/73/64/71/1137736471.db2.gz NFLXDNWHIDKMBJ-HXUWFJFHSA-N 1 1 332.447 3.691 20 30 EHEDMO CC(=O)Nc1cccc2c1C[N@H+](Cc1ccc(C#N)cc1Cl)CC2 ZINC000879237531 1137741870 /nfs/dbraw/zinc/74/18/70/1137741870.db2.gz KPBCOAPETAUHEV-UHFFFAOYSA-N 1 1 339.826 3.728 20 30 EHEDMO CC(=O)Nc1cccc2c1C[N@@H+](Cc1ccc(C#N)cc1Cl)CC2 ZINC000879237531 1137741871 /nfs/dbraw/zinc/74/18/71/1137741871.db2.gz KPBCOAPETAUHEV-UHFFFAOYSA-N 1 1 339.826 3.728 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879558083 1137750904 /nfs/dbraw/zinc/75/09/04/1137750904.db2.gz QWBOKANRUMUSMR-CABCVRRESA-N 1 1 348.537 3.588 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879558083 1137750905 /nfs/dbraw/zinc/75/09/05/1137750905.db2.gz QWBOKANRUMUSMR-CABCVRRESA-N 1 1 348.537 3.588 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(Cl)nc1)[C@@H]2CC ZINC001137164342 1137801532 /nfs/dbraw/zinc/80/15/32/1137801532.db2.gz RWDPHHURNKRLFE-APWZRJJASA-N 1 1 347.890 3.657 20 30 EHEDMO C=CCCC[C@@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)c1ccccc1 ZINC000882235385 1137824077 /nfs/dbraw/zinc/82/40/77/1137824077.db2.gz NWZKMXLCGYOTPH-UYAOXDASSA-N 1 1 337.467 3.968 20 30 EHEDMO CC[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1c(F)cccc1F ZINC000101561742 1137870779 /nfs/dbraw/zinc/87/07/79/1137870779.db2.gz HTUXJBGRRGEVPA-UHFFFAOYSA-N 1 1 343.377 3.687 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1c(F)cccc1F ZINC000101561742 1137870780 /nfs/dbraw/zinc/87/07/80/1137870780.db2.gz HTUXJBGRRGEVPA-UHFFFAOYSA-N 1 1 343.377 3.687 20 30 EHEDMO C=CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001202577768 1137880732 /nfs/dbraw/zinc/88/07/32/1137880732.db2.gz IPWBKPXAKZBLNG-SFTDATJTSA-N 1 1 349.478 3.530 20 30 EHEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000007587904 1137891847 /nfs/dbraw/zinc/89/18/47/1137891847.db2.gz JZDXFCYHGFBZFH-WBVHZDCISA-N 1 1 343.496 3.895 20 30 EHEDMO C#CCCOc1ccc(C[NH2+]Cc2ccc(F)c(CN(C)C)c2)cc1 ZINC000115624199 1137922580 /nfs/dbraw/zinc/92/25/80/1137922580.db2.gz QLGLKRGBWWYTLO-UHFFFAOYSA-N 1 1 340.442 3.579 20 30 EHEDMO O[C@@H](C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccccc1F ZINC000117353141 1137930066 /nfs/dbraw/zinc/93/00/66/1137930066.db2.gz CZEJENUZTBBFND-NSHDSACASA-N 1 1 345.258 3.676 20 30 EHEDMO O[C@@H](C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccccc1F ZINC000117353141 1137930067 /nfs/dbraw/zinc/93/00/67/1137930067.db2.gz CZEJENUZTBBFND-NSHDSACASA-N 1 1 345.258 3.676 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000121539897 1137958770 /nfs/dbraw/zinc/95/87/70/1137958770.db2.gz SNCQKFVIXSJSIC-VQIMIIECSA-N 1 1 343.471 3.590 20 30 EHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134774411 1137960748 /nfs/dbraw/zinc/96/07/48/1137960748.db2.gz DWFJAMFGGADRLE-PMACEKPBSA-N 1 1 342.389 3.925 20 30 EHEDMO COc1ccc(C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)[C@@H](C)C2CC2)cc1 ZINC000885965635 1138028806 /nfs/dbraw/zinc/02/88/06/1138028806.db2.gz QOECFQHWOOKQHW-LPHOPBHVSA-N 1 1 342.483 3.741 20 30 EHEDMO C[C@@H]1SCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@H]1c1ccccc1 ZINC000886014036 1138032321 /nfs/dbraw/zinc/03/23/21/1138032321.db2.gz BGVOPWBROKETCE-CGTJXYLNSA-N 1 1 330.497 3.610 20 30 EHEDMO N#CCCn1cc(C[NH2+]Cc2cc(C3CC3)no2)c(-c2ccccc2)n1 ZINC000886272540 1138063174 /nfs/dbraw/zinc/06/31/74/1138063174.db2.gz SSAKEKPNMSWBAW-UHFFFAOYSA-N 1 1 347.422 3.619 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2csc(-c3ccc(OC)cc3OC)n2)C1 ZINC000886356153 1138070607 /nfs/dbraw/zinc/07/06/07/1138070607.db2.gz UWLKAYJPLVKCLK-AWEZNQCLSA-N 1 1 342.464 3.673 20 30 EHEDMO C#CC[C@@H]1CC[N@@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)C1 ZINC000886367123 1138071268 /nfs/dbraw/zinc/07/12/68/1138071268.db2.gz LARZWPBOQYNLGJ-LLVKDONJSA-N 1 1 336.222 3.889 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)C1 ZINC000886367123 1138071270 /nfs/dbraw/zinc/07/12/70/1138071270.db2.gz LARZWPBOQYNLGJ-LLVKDONJSA-N 1 1 336.222 3.889 20 30 EHEDMO CCC[N@H+]1Cc2cccc(N[C@H](C)C(=O)Nc3ccccc3C#N)c2C1 ZINC000066968548 1138079394 /nfs/dbraw/zinc/07/93/94/1138079394.db2.gz UMSKOYNABJVAON-OAHLLOKOSA-N 1 1 348.450 3.723 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000072828215 1138108294 /nfs/dbraw/zinc/10/82/94/1138108294.db2.gz DOVISICOVKGULX-AWEZNQCLSA-N 1 1 331.485 3.751 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000072828215 1138108295 /nfs/dbraw/zinc/10/82/95/1138108295.db2.gz DOVISICOVKGULX-AWEZNQCLSA-N 1 1 331.485 3.751 20 30 EHEDMO FC(F)(F)c1ccc(C#CC[N@@H+]2CCC[C@@H](c3ncccn3)C2)cc1 ZINC000886681327 1138113761 /nfs/dbraw/zinc/11/37/61/1138113761.db2.gz XJPOYJARJNDVPF-MRXNPFEDSA-N 1 1 345.368 3.727 20 30 EHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@@H](c3ncccn3)C2)cc1 ZINC000886681327 1138113762 /nfs/dbraw/zinc/11/37/62/1138113762.db2.gz XJPOYJARJNDVPF-MRXNPFEDSA-N 1 1 345.368 3.727 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc(CC#N)cc1 ZINC000076188729 1138130409 /nfs/dbraw/zinc/13/04/09/1138130409.db2.gz IIWPFZJILKJMTG-MRXNPFEDSA-N 1 1 328.460 3.529 20 30 EHEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccc(OC)c(O)c2)cc1OC ZINC000092405054 1138227380 /nfs/dbraw/zinc/22/73/80/1138227380.db2.gz XRDOJZNNTLBGAX-UHFFFAOYSA-N 1 1 343.423 3.606 20 30 EHEDMO COc1ccc(C[N@H+]2CCSC(C)(C)C2)cc1OCCCC#N ZINC000093504662 1138238257 /nfs/dbraw/zinc/23/82/57/1138238257.db2.gz DWWGAMMTFLTBKR-UHFFFAOYSA-N 1 1 334.485 3.705 20 30 EHEDMO C=CCCCN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000125730618 1138315224 /nfs/dbraw/zinc/31/52/24/1138315224.db2.gz TUKKVLWHHZXMJL-IHWFROFDSA-N 1 1 341.499 3.790 20 30 EHEDMO N#Cc1ccc(OC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000264114954 1138422385 /nfs/dbraw/zinc/42/23/85/1138422385.db2.gz LDFUHUCYCFLIBR-UHFFFAOYSA-N 1 1 337.379 3.510 20 30 EHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1OCCCC#N ZINC000131199118 1138501625 /nfs/dbraw/zinc/50/16/25/1138501625.db2.gz DGAXKUINWYXANV-UHFFFAOYSA-N 1 1 349.434 3.881 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+](CC(N)=O)Cc1ccccc1C(C)(C)C#N ZINC000135286399 1138741075 /nfs/dbraw/zinc/74/10/75/1138741075.db2.gz WTKGUNGXGDESRV-MRXNPFEDSA-N 1 1 335.451 3.536 20 30 EHEDMO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1ccccc1C(C)(C)C#N ZINC000135286399 1138741078 /nfs/dbraw/zinc/74/10/78/1138741078.db2.gz WTKGUNGXGDESRV-MRXNPFEDSA-N 1 1 335.451 3.536 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000338143374 1138764579 /nfs/dbraw/zinc/76/45/79/1138764579.db2.gz QCSUJKOJUCFZCZ-UHFFFAOYSA-N 1 1 335.451 3.637 20 30 EHEDMO CC1=C(c2ccco2)C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000338372168 1138865422 /nfs/dbraw/zinc/86/54/22/1138865422.db2.gz QGEXUUUZSIWZCU-UHFFFAOYSA-N 1 1 346.390 3.881 20 30 EHEDMO CC1=C(c2ccco2)C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000338372168 1138865434 /nfs/dbraw/zinc/86/54/34/1138865434.db2.gz QGEXUUUZSIWZCU-UHFFFAOYSA-N 1 1 346.390 3.881 20 30 EHEDMO C=CCCCC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000179472756 1139759319 /nfs/dbraw/zinc/75/93/19/1139759319.db2.gz OMARUTDPTIXVDH-KSSFIOAISA-N 1 1 338.854 3.944 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2F)c(C#N)c1C ZINC000181589814 1139918164 /nfs/dbraw/zinc/91/81/64/1139918164.db2.gz YWDNROCVZGNCLP-GHMZBOCLSA-N 1 1 347.365 3.724 20 30 EHEDMO C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183196745 1140019034 /nfs/dbraw/zinc/01/90/34/1140019034.db2.gz ZFGYWMIQPMAYDA-YQVWRLOYSA-N 1 1 341.499 3.893 20 30 EHEDMO C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183196745 1140019039 /nfs/dbraw/zinc/01/90/39/1140019039.db2.gz ZFGYWMIQPMAYDA-YQVWRLOYSA-N 1 1 341.499 3.893 20 30 EHEDMO COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)cc1OC ZINC000183446501 1140038813 /nfs/dbraw/zinc/03/88/13/1140038813.db2.gz HVWPYIAQTXEENO-LLVKDONJSA-N 1 1 332.350 3.704 20 30 EHEDMO C=CC[C@@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000187039193 1140235036 /nfs/dbraw/zinc/23/50/36/1140235036.db2.gz IEYLIULOHAMAPX-NRSPTQNISA-N 1 1 338.495 3.822 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(Br)cn1C ZINC000189922794 1140371478 /nfs/dbraw/zinc/37/14/78/1140371478.db2.gz XWHMNDJNIFSRMD-GFCCVEGCSA-N 1 1 332.245 3.852 20 30 EHEDMO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2ccccc2C(C)(C)C#N)cn1 ZINC000191213640 1140445170 /nfs/dbraw/zinc/44/51/70/1140445170.db2.gz OGEHZAYJBLFXQG-SFHVURJKSA-N 1 1 340.496 3.511 20 30 EHEDMO Cn1cc([C@@H]2CSCC[N@H+]2Cc2ccccc2C(C)(C)C#N)cn1 ZINC000191213640 1140445175 /nfs/dbraw/zinc/44/51/75/1140445175.db2.gz OGEHZAYJBLFXQG-SFHVURJKSA-N 1 1 340.496 3.511 20 30 EHEDMO COc1ccc(C(=O)C2CC[NH+](CC#Cc3ccccc3)CC2)cc1 ZINC000191888831 1140492010 /nfs/dbraw/zinc/49/20/10/1140492010.db2.gz XBCQNSQIPGWCAC-UHFFFAOYSA-N 1 1 333.431 3.642 20 30 EHEDMO C=C(C)C[NH+]1CCC(N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192839517 1140553039 /nfs/dbraw/zinc/55/30/39/1140553039.db2.gz AWANCFRXSKKULB-LJQANCHMSA-N 1 1 329.444 3.602 20 30 EHEDMO C[NH+](C)C[C@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193054506 1140562363 /nfs/dbraw/zinc/56/23/63/1140562363.db2.gz YXHPLLONPOCYAL-HXUWFJFHSA-N 1 1 347.506 3.770 20 30 EHEDMO C[NH+](C)C[C@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193054506 1140562371 /nfs/dbraw/zinc/56/23/71/1140562371.db2.gz YXHPLLONPOCYAL-HXUWFJFHSA-N 1 1 347.506 3.770 20 30 EHEDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3ccnc(C#N)c3)c2C1 ZINC000193132427 1140564795 /nfs/dbraw/zinc/56/47/95/1140564795.db2.gz HMPAFUULMOVHND-UHFFFAOYSA-N 1 1 334.423 3.567 20 30 EHEDMO C=CCCCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000267320323 1140778384 /nfs/dbraw/zinc/77/83/84/1140778384.db2.gz DIIRHBORGIDWEC-PKOBYXMFSA-N 1 1 329.488 3.505 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c(F)c1 ZINC000267467761 1140795089 /nfs/dbraw/zinc/79/50/89/1140795089.db2.gz WFUGEIHVNSBWCU-NVXWUHKLSA-N 1 1 330.428 3.847 20 30 EHEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268211153 1140904052 /nfs/dbraw/zinc/90/40/52/1140904052.db2.gz OWUNJQJGYPDKGV-YLJYHZDGSA-N 1 1 326.484 3.924 20 30 EHEDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000268602013 1140960836 /nfs/dbraw/zinc/96/08/36/1140960836.db2.gz IOHZFILPGHKMOS-NRFANRHFSA-N 1 1 337.467 3.568 20 30 EHEDMO COC(=O)c1occc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000350656786 1140970997 /nfs/dbraw/zinc/97/09/97/1140970997.db2.gz JUNUJMPXQYMDGN-UHFFFAOYSA-N 1 1 326.396 3.596 20 30 EHEDMO COC(=O)c1occc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000350656786 1140971005 /nfs/dbraw/zinc/97/10/05/1140971005.db2.gz JUNUJMPXQYMDGN-UHFFFAOYSA-N 1 1 326.396 3.596 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2snc(Cl)c2C#N)C1 ZINC000271364181 1141351883 /nfs/dbraw/zinc/35/18/83/1141351883.db2.gz VEQXVUBJTFUUKI-QWHCGFSZSA-N 1 1 338.908 3.759 20 30 EHEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000348641466 1141560191 /nfs/dbraw/zinc/56/01/91/1141560191.db2.gz JNBKRWXGXHDTQW-IEBWSBKVSA-N 1 1 330.472 3.885 20 30 EHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C#N)c(OC)c1 ZINC000348870607 1141600983 /nfs/dbraw/zinc/60/09/83/1141600983.db2.gz BBTCXCUJDPWYAD-UHFFFAOYSA-N 1 1 338.455 3.923 20 30 EHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C#N)c(OC)c1 ZINC000348870607 1141600986 /nfs/dbraw/zinc/60/09/86/1141600986.db2.gz BBTCXCUJDPWYAD-UHFFFAOYSA-N 1 1 338.455 3.923 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](CCOC)Cc2ccccn2)cc1Cl ZINC000349059108 1141630903 /nfs/dbraw/zinc/63/09/03/1141630903.db2.gz BHYCGNVERPAZKM-UHFFFAOYSA-N 1 1 346.858 3.948 20 30 EHEDMO C=CCOc1ccc(C[N@H+](CCOC)Cc2ccccn2)cc1Cl ZINC000349059108 1141630906 /nfs/dbraw/zinc/63/09/06/1141630906.db2.gz BHYCGNVERPAZKM-UHFFFAOYSA-N 1 1 346.858 3.948 20 30 EHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1OC(F)F ZINC000097492031 219029797 /nfs/dbraw/zinc/02/97/97/219029797.db2.gz ZQCQQQDZTMKDSS-UHFFFAOYSA-N 1 1 346.377 3.808 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1OC(F)F ZINC000097492031 219029800 /nfs/dbraw/zinc/02/98/00/219029800.db2.gz ZQCQQQDZTMKDSS-UHFFFAOYSA-N 1 1 346.377 3.808 20 30 EHEDMO C=CC[NH+]1CCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC001165031659 721866364 /nfs/dbraw/zinc/86/63/64/721866364.db2.gz PACPALGNFDEZSX-UHFFFAOYSA-N 1 1 330.435 3.605 20 30 EHEDMO C=CC[N@@H+](Cc1csc(C)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000449029167 1032063577 /nfs/dbraw/zinc/06/35/77/1032063577.db2.gz QLBYHAXMSSERHY-OAHLLOKOSA-N 1 1 339.468 3.781 20 30 EHEDMO C=CCCCCCCCNC(=O)[C@]1([NH+](C)C)COc2ccccc2C1 ZINC001625778121 1014255303 /nfs/dbraw/zinc/25/53/03/1014255303.db2.gz JPHDYNUWDDYEFY-OAQYLSRUSA-N 1 1 344.499 3.565 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(OCCC)c(OC)c2)no1 ZINC000904522880 1032093048 /nfs/dbraw/zinc/09/30/48/1032093048.db2.gz YZFKCSVEJCFXTP-AWEZNQCLSA-N 1 1 331.416 3.890 20 30 EHEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000577716438 1014500277 /nfs/dbraw/zinc/50/02/77/1014500277.db2.gz XKIMDPXKNJOYAM-FQEVSTJZSA-N 1 1 349.434 3.515 20 30 EHEDMO Cc1ccc([C@H]2CCCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000610215219 1015016623 /nfs/dbraw/zinc/01/66/23/1015016623.db2.gz ATKHITQZLDCFSE-OAQYLSRUSA-N 1 1 347.462 3.710 20 30 EHEDMO CSc1ccc([C@@H](CNCc2ccc(C#N)cc2F)[NH+](C)C)cc1 ZINC000339590231 1015088506 /nfs/dbraw/zinc/08/85/06/1015088506.db2.gz GVGIGXLWDQVGHD-LJQANCHMSA-N 1 1 343.471 3.812 20 30 EHEDMO N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336792208 1015328290 /nfs/dbraw/zinc/32/82/90/1015328290.db2.gz RATXDETWMCAFJC-HNNXBMFYSA-N 1 1 346.356 3.658 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](CC3CC3)C2)c1C ZINC000339676487 1015505561 /nfs/dbraw/zinc/50/55/61/1015505561.db2.gz UNPOUZCOJZUKIZ-IBGZPJMESA-N 1 1 339.483 3.672 20 30 EHEDMO CCCc1[nH+]ccn1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000339687525 1015519029 /nfs/dbraw/zinc/51/90/29/1015519029.db2.gz GCVYPSZNGAPGHU-AWEZNQCLSA-N 1 1 342.468 3.726 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCC[C@H]2c2cccn2C)cc(OC)c1O ZINC000179706017 1015550355 /nfs/dbraw/zinc/55/03/55/1015550355.db2.gz INGJCWXNRNYHRI-SFHVURJKSA-N 1 1 326.440 3.805 20 30 EHEDMO O[C@@H](C[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000134776176 1015787865 /nfs/dbraw/zinc/78/78/65/1015787865.db2.gz XEPJEWDATIHWDJ-SFTDATJTSA-N 1 1 341.401 3.904 20 30 EHEDMO C#CC[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccccc1 ZINC001266348774 1015831628 /nfs/dbraw/zinc/83/16/28/1015831628.db2.gz NRTINXOMMNOLSB-RBUKOAKNSA-N 1 1 340.854 3.824 20 30 EHEDMO C=CCCCCC[N@@H+]1CC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001209432660 1016275261 /nfs/dbraw/zinc/27/52/61/1016275261.db2.gz IAXNVSDVKYLLDU-ZDUSSCGKSA-N 1 1 329.366 3.695 20 30 EHEDMO COc1cccc(C[N@@H+](CC(C)C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC001167199167 1016553386 /nfs/dbraw/zinc/55/33/86/1016553386.db2.gz GETCMGIKBCWEIP-OAQYLSRUSA-N 1 1 338.451 3.758 20 30 EHEDMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1F ZINC000189738766 1016698558 /nfs/dbraw/zinc/69/85/58/1016698558.db2.gz VMDJISKHCSAYCO-FQEVSTJZSA-N 1 1 326.415 3.861 20 30 EHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H]1COC2(CCCCC2)O1 ZINC001167251452 1016768596 /nfs/dbraw/zinc/76/85/96/1016768596.db2.gz DURBJCONBYCYJM-LJQANCHMSA-N 1 1 326.440 3.622 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(CCc2ccc(OC(F)F)cc2)no1 ZINC000904615978 1032163073 /nfs/dbraw/zinc/16/30/73/1032163073.db2.gz VTBQMGFMCIPZAL-CQSZACIVSA-N 1 1 337.370 3.812 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc([C@H](CCC)NC(=O)c2ccccc2)no1 ZINC000904671925 1032190471 /nfs/dbraw/zinc/19/04/71/1032190471.db2.gz BTJBNLKTKOHTNE-HOTGVXAUSA-N 1 1 342.443 3.697 20 30 EHEDMO C[C@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000127487560 1032379780 /nfs/dbraw/zinc/37/97/80/1032379780.db2.gz WDEVXPQGQUODHM-UWJYYQICSA-N 1 1 347.462 3.963 20 30 EHEDMO C[C@H](C[N@@H+](C)Cc1ccccc1C(C)(C)C#N)C(=O)OC(C)(C)C ZINC000459814808 1032488264 /nfs/dbraw/zinc/48/82/64/1032488264.db2.gz UQOOWGHGMAOVGN-OAHLLOKOSA-N 1 1 330.472 3.897 20 30 EHEDMO CCC(C#N)(CC)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000528658062 1032543696 /nfs/dbraw/zinc/54/36/96/1032543696.db2.gz ZRYCZCGOJRQIDU-GDBMZVCRSA-N 1 1 333.501 3.577 20 30 EHEDMO N#CCC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CC1 ZINC000119090746 1032565399 /nfs/dbraw/zinc/56/53/99/1032565399.db2.gz GSNMAZPMPUAWCZ-UHFFFAOYSA-N 1 1 325.368 3.980 20 30 EHEDMO N#CCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CC1 ZINC000119090746 1032565402 /nfs/dbraw/zinc/56/54/02/1032565402.db2.gz GSNMAZPMPUAWCZ-UHFFFAOYSA-N 1 1 325.368 3.980 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1OC ZINC000449470764 1032588232 /nfs/dbraw/zinc/58/82/32/1032588232.db2.gz OCYONNXRFJQMRD-IPMKNSEASA-N 1 1 345.483 3.776 20 30 EHEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(C#N)(CC)CC ZINC000528702718 1032629025 /nfs/dbraw/zinc/62/90/25/1032629025.db2.gz CSCFJJPFCDDPBA-LJQANCHMSA-N 1 1 341.499 3.687 20 30 EHEDMO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1 ZINC000187281812 1017169841 /nfs/dbraw/zinc/16/98/41/1017169841.db2.gz GUOVNSYPXSCRGR-SCLBCKFNSA-N 1 1 342.826 3.852 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000375610996 1017417971 /nfs/dbraw/zinc/41/79/71/1017417971.db2.gz HXSRHAPINBHPPP-VQTJNVASSA-N 1 1 337.467 3.859 20 30 EHEDMO COc1c(C)cc(C[N@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])cc1C ZINC000565048545 1017452432 /nfs/dbraw/zinc/45/24/32/1017452432.db2.gz VCMLKMCVJQGSKQ-UHFFFAOYSA-N 1 1 339.395 3.724 20 30 EHEDMO COc1c(C)cc(C[N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])cc1C ZINC000565048545 1017452438 /nfs/dbraw/zinc/45/24/38/1017452438.db2.gz VCMLKMCVJQGSKQ-UHFFFAOYSA-N 1 1 339.395 3.724 20 30 EHEDMO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(C#N)cc1 ZINC000549175064 1017497347 /nfs/dbraw/zinc/49/73/47/1017497347.db2.gz XWIJXQUKHSPVBS-CYBMUJFWSA-N 1 1 348.362 3.972 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c(Br)c1 ZINC000593987342 1032727109 /nfs/dbraw/zinc/72/71/09/1032727109.db2.gz NNWZUIHVOJPHBA-OAHLLOKOSA-N 1 1 342.240 3.705 20 30 EHEDMO C=CCn1c(SCCc2c[nH+]cn2C)nnc1-c1ccccc1C ZINC000298390693 1017847622 /nfs/dbraw/zinc/84/76/22/1017847622.db2.gz QBUOKJZNMVRLRP-UHFFFAOYSA-N 1 1 339.468 3.508 20 30 EHEDMO C=CCCCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000472788617 1017948888 /nfs/dbraw/zinc/94/88/88/1017948888.db2.gz KRLGTQGGLVJSDV-IEBWSBKVSA-N 1 1 329.488 3.553 20 30 EHEDMO N#Cc1cc(Cl)ccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000187307616 1017969506 /nfs/dbraw/zinc/96/95/06/1017969506.db2.gz PBUKDRVWJSIMHB-BEFAXECRSA-N 1 1 329.875 3.660 20 30 EHEDMO CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000466934330 1018011181 /nfs/dbraw/zinc/01/11/81/1018011181.db2.gz WHOLJYTYZSAIOF-HOCLYGCPSA-N 1 1 333.863 3.707 20 30 EHEDMO CCc1cc(OC)ccc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000580005990 1018024105 /nfs/dbraw/zinc/02/41/05/1018024105.db2.gz GZJHRUHTSGGWMG-UHFFFAOYSA-N 1 1 338.451 3.778 20 30 EHEDMO N#CCCC[N@H+]1CCC[C@H]1c1ccccc1I ZINC000377657260 1018130895 /nfs/dbraw/zinc/13/08/95/1018130895.db2.gz QGMAKJXGQDUUPO-AWEZNQCLSA-N 1 1 340.208 3.732 20 30 EHEDMO N#CCCC[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000377657260 1018130904 /nfs/dbraw/zinc/13/09/04/1018130904.db2.gz QGMAKJXGQDUUPO-AWEZNQCLSA-N 1 1 340.208 3.732 20 30 EHEDMO COCCCC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(C#N)c1 ZINC000135003667 1018269128 /nfs/dbraw/zinc/26/91/28/1018269128.db2.gz WZAZWXVTXALHFO-UHFFFAOYSA-N 1 1 338.451 3.996 20 30 EHEDMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000472864947 1018389401 /nfs/dbraw/zinc/38/94/01/1018389401.db2.gz TWAGVENRQWQMTG-IBGZPJMESA-N 1 1 347.462 3.550 20 30 EHEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593117977 1032766747 /nfs/dbraw/zinc/76/67/47/1032766747.db2.gz OYENJXVJNBJJRZ-CYBMUJFWSA-N 1 1 327.172 3.552 20 30 EHEDMO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593117977 1032766765 /nfs/dbraw/zinc/76/67/65/1032766765.db2.gz OYENJXVJNBJJRZ-CYBMUJFWSA-N 1 1 327.172 3.552 20 30 EHEDMO C[C@@H]1C[C@H](C)Cc2c(C#N)c(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)sc21 ZINC000891175447 1018475859 /nfs/dbraw/zinc/47/58/59/1018475859.db2.gz VODLNJQUFPQXGT-CRWXNKLISA-N 1 1 345.512 3.974 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C2CCCC2)CC1 ZINC000610370742 1018546051 /nfs/dbraw/zinc/54/60/51/1018546051.db2.gz BOPLUQXZYXYOAH-OAHLLOKOSA-N 1 1 325.456 3.787 20 30 EHEDMO CN(Cc1ccc(Cl)cc1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000480859434 1018584327 /nfs/dbraw/zinc/58/43/27/1018584327.db2.gz XPLZBXSLRFJNJR-FQEVSTJZSA-N 1 1 339.870 3.918 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C3CCCC3)CC2)c(C#N)c1C ZINC000610393450 1018736996 /nfs/dbraw/zinc/73/69/96/1018736996.db2.gz JAMFPNWBYVWIAY-AWEZNQCLSA-N 1 1 343.471 3.997 20 30 EHEDMO C=CC[N@@H+](CC(=O)N(CC(C)C)CC(F)(F)F)Cc1ccccc1 ZINC000549929828 1019258504 /nfs/dbraw/zinc/25/85/04/1019258504.db2.gz UARIUBKYMROBBR-UHFFFAOYSA-N 1 1 342.405 3.722 20 30 EHEDMO C=CC[N@H+](CC(=O)N(CC(C)C)CC(F)(F)F)Cc1ccccc1 ZINC000549929828 1019258514 /nfs/dbraw/zinc/25/85/14/1019258514.db2.gz UARIUBKYMROBBR-UHFFFAOYSA-N 1 1 342.405 3.722 20 30 EHEDMO Cn1cc(C[N@H+]2CC[C@@H](c3ccc(Br)cc3)C2)cc1C#N ZINC001207106647 1019425644 /nfs/dbraw/zinc/42/56/44/1019425644.db2.gz OUDOYOIGPJKARB-OAHLLOKOSA-N 1 1 344.256 3.649 20 30 EHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175821731 1019445961 /nfs/dbraw/zinc/44/59/61/1019445961.db2.gz OWMYRSJZRFDVDJ-SJORKVTESA-N 1 1 330.428 3.847 20 30 EHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175821731 1019445974 /nfs/dbraw/zinc/44/59/74/1019445974.db2.gz OWMYRSJZRFDVDJ-SJORKVTESA-N 1 1 330.428 3.847 20 30 EHEDMO CC[N@@H+](CCCNC(=O)c1cccc(CC#N)c1)C1CCCCC1 ZINC000593250459 1032831834 /nfs/dbraw/zinc/83/18/34/1032831834.db2.gz NUQWJUNQMYKLNU-UHFFFAOYSA-N 1 1 327.472 3.527 20 30 EHEDMO CC[C@H](CC#N)NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000155774051 1019564827 /nfs/dbraw/zinc/56/48/27/1019564827.db2.gz FHEDSOPIPPTBCR-MRXNPFEDSA-N 1 1 339.443 3.869 20 30 EHEDMO C=CCCCN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000513386663 1019596319 /nfs/dbraw/zinc/59/63/19/1019596319.db2.gz ONFTXVCKFPNOAK-KRWDZBQOSA-N 1 1 336.426 3.568 20 30 EHEDMO C[C@H](c1cccc(Nc2ncc(C#N)cc2Cl)c1)[NH+]1CCOCC1 ZINC000513626269 1019901044 /nfs/dbraw/zinc/90/10/44/1019901044.db2.gz WJTUPNXKRNLDDB-CYBMUJFWSA-N 1 1 342.830 3.743 20 30 EHEDMO CC[N@@H+](Cc1cc(C(=O)OC)c(C)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000345203433 1020058435 /nfs/dbraw/zinc/05/84/35/1020058435.db2.gz AKVZKQKKSZBJCW-CYBMUJFWSA-N 1 1 326.396 3.829 20 30 EHEDMO CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@@H+](CCC(C)(C)C#N)C2 ZINC000933044994 1020310995 /nfs/dbraw/zinc/31/09/95/1020310995.db2.gz FUWPSZHLPBHASH-IBGZPJMESA-N 1 1 335.492 3.792 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccn(C(F)F)c1=O ZINC000602484327 1032912841 /nfs/dbraw/zinc/91/28/41/1032912841.db2.gz OCTLTJWWGHWSOP-DLBZAZTESA-N 1 1 343.377 3.515 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccn(C(F)F)c1=O ZINC000602484327 1032912851 /nfs/dbraw/zinc/91/28/51/1032912851.db2.gz OCTLTJWWGHWSOP-DLBZAZTESA-N 1 1 343.377 3.515 20 30 EHEDMO Cc1ccc(NC[C@H](C)CCC#N)cc1NC(=O)C[NH+]1CCCCC1 ZINC000602495369 1032920714 /nfs/dbraw/zinc/92/07/14/1032920714.db2.gz ZDQGHPOUDBGMAD-MRXNPFEDSA-N 1 1 342.487 3.771 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000581493151 1021008672 /nfs/dbraw/zinc/00/86/72/1021008672.db2.gz HRHMULPFISJHJP-LJQANCHMSA-N 1 1 336.479 3.937 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000581493151 1021008676 /nfs/dbraw/zinc/00/86/76/1021008676.db2.gz HRHMULPFISJHJP-LJQANCHMSA-N 1 1 336.479 3.937 20 30 EHEDMO C#CCC1([NH2+]Cc2nnc(-c3ccc(OCCCC)cc3)o2)CCC1 ZINC000933302829 1021073506 /nfs/dbraw/zinc/07/35/06/1021073506.db2.gz YHIXDXWGDAYLDL-UHFFFAOYSA-N 1 1 339.439 3.951 20 30 EHEDMO Cc1oc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)cc2)c(C#N)c1C ZINC000097010608 1021102131 /nfs/dbraw/zinc/10/21/31/1021102131.db2.gz MQBYLMGAGXIQOP-GFCCVEGCSA-N 1 1 329.375 3.539 20 30 EHEDMO Cc1oc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)cc2)c(C#N)c1C ZINC000097010608 1021102134 /nfs/dbraw/zinc/10/21/34/1021102134.db2.gz MQBYLMGAGXIQOP-GFCCVEGCSA-N 1 1 329.375 3.539 20 30 EHEDMO N#Cc1ccnc(Nc2ccc([NH+]3CCCCCC3)cc2)c1[N+](=O)[O-] ZINC000760465283 1032973762 /nfs/dbraw/zinc/97/37/62/1032973762.db2.gz QEUNTHDMRZVCLQ-UHFFFAOYSA-N 1 1 337.383 3.985 20 30 EHEDMO COc1cccc(C[NH2+]Cc2cccc(C#N)n2)c1OC1CCCC1 ZINC000602563012 1032976023 /nfs/dbraw/zinc/97/60/23/1032976023.db2.gz JSVATQRQLBRKGR-UHFFFAOYSA-N 1 1 337.423 3.573 20 30 EHEDMO CCC[N@@H+](CCCOc1cccc(C#N)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000477290395 1021404430 /nfs/dbraw/zinc/40/44/30/1021404430.db2.gz HUELTQFDYOQPDK-ZCNNSNEGSA-N 1 1 342.483 3.853 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)cc1Cl ZINC000426378338 1021428993 /nfs/dbraw/zinc/42/89/93/1021428993.db2.gz LIDDGMIXEXXETG-UHFFFAOYSA-N 1 1 330.815 3.564 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)cc1Cl ZINC000426378338 1021428998 /nfs/dbraw/zinc/42/89/98/1021428998.db2.gz LIDDGMIXEXXETG-UHFFFAOYSA-N 1 1 330.815 3.564 20 30 EHEDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439448164 1021450665 /nfs/dbraw/zinc/45/06/65/1021450665.db2.gz SIJYWVQTBLBOII-RHSMWYFYSA-N 1 1 347.890 3.728 20 30 EHEDMO C[C@@H]1[C@@H](Nc2nc(Cl)c(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000306728339 1021531675 /nfs/dbraw/zinc/53/16/75/1021531675.db2.gz NNITWPLCMODESA-YPMHNXCESA-N 1 1 332.860 3.743 20 30 EHEDMO CC(C)[N@H+]1CC[C@@H](CNc2nc3c(cc2C#N)CCCC3(C)C)C1 ZINC000519680229 1021605268 /nfs/dbraw/zinc/60/52/68/1021605268.db2.gz SAXIMEOYFWBZTL-HNNXBMFYSA-N 1 1 326.488 3.709 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)NCc2ccc(CC#N)cc2)cc1)C(C)C ZINC000581728108 1021629683 /nfs/dbraw/zinc/62/96/83/1021629683.db2.gz VTBXIJIPXPPQIL-UHFFFAOYSA-N 1 1 349.478 3.913 20 30 EHEDMO Cc1cc2cc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)oc2cc1C ZINC000506663467 1021670289 /nfs/dbraw/zinc/67/02/89/1021670289.db2.gz RIPNVCYZRSPXCF-UHFFFAOYSA-N 1 1 346.434 3.639 20 30 EHEDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000134636428 1021815190 /nfs/dbraw/zinc/81/51/90/1021815190.db2.gz MQDZOIHRHYJKJL-XJKSGUPXSA-N 1 1 347.434 3.575 20 30 EHEDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000134636428 1021815197 /nfs/dbraw/zinc/81/51/97/1021815197.db2.gz MQDZOIHRHYJKJL-XJKSGUPXSA-N 1 1 347.434 3.575 20 30 EHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](CCC#N)c2ccccc2)C[C@@H]1C ZINC000440251348 1022050228 /nfs/dbraw/zinc/05/02/28/1022050228.db2.gz BCCAZMBNNCEIGP-YTQUADARSA-N 1 1 342.487 3.546 20 30 EHEDMO C=C(C)[C@H](CC(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)OCC ZINC000341530595 1022109091 /nfs/dbraw/zinc/10/90/91/1022109091.db2.gz XETCXFQVNZJRJO-IBGZPJMESA-N 1 1 330.472 3.633 20 30 EHEDMO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000441359591 1022175193 /nfs/dbraw/zinc/17/51/93/1022175193.db2.gz CGRAINKLRQLWBQ-ZJOUEHCJSA-N 1 1 341.499 3.617 20 30 EHEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000441342639 1022180665 /nfs/dbraw/zinc/18/06/65/1022180665.db2.gz ZVXOZFVWMXYNLC-CRAIPNDOSA-N 1 1 343.446 3.551 20 30 EHEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000441342639 1022180675 /nfs/dbraw/zinc/18/06/75/1022180675.db2.gz ZVXOZFVWMXYNLC-CRAIPNDOSA-N 1 1 343.446 3.551 20 30 EHEDMO CC[N@H+](Cc1nccc(OC)c1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000190425538 1022197545 /nfs/dbraw/zinc/19/75/45/1022197545.db2.gz BMIZEZNXQKEVRQ-CQSZACIVSA-N 1 1 325.412 3.554 20 30 EHEDMO CC[N@@H+](Cc1nccc(OC)c1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000190425538 1022197557 /nfs/dbraw/zinc/19/75/57/1022197557.db2.gz BMIZEZNXQKEVRQ-CQSZACIVSA-N 1 1 325.412 3.554 20 30 EHEDMO Cc1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cnc1F ZINC000894422883 1022265038 /nfs/dbraw/zinc/26/50/38/1022265038.db2.gz OBMFTPMIOQNURU-UHFFFAOYSA-N 1 1 343.377 3.583 20 30 EHEDMO C=CC[N@@H+](C)CCN(CC)C(=O)c1cc(Cl)c2ccccc2c1O ZINC001626750826 1022337255 /nfs/dbraw/zinc/33/72/55/1022337255.db2.gz IRGJHBIIQBBDQU-UHFFFAOYSA-N 1 1 346.858 3.779 20 30 EHEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1cc(Cl)c2ccccc2c1O ZINC001626750826 1022337269 /nfs/dbraw/zinc/33/72/69/1022337269.db2.gz IRGJHBIIQBBDQU-UHFFFAOYSA-N 1 1 346.858 3.779 20 30 EHEDMO C=CCOc1ccc(C(=O)N2CCC(C[N@H+](C)CCCC)CC2)cc1 ZINC000112918654 1022355244 /nfs/dbraw/zinc/35/52/44/1022355244.db2.gz UTPXEKYUDLVGQL-UHFFFAOYSA-N 1 1 344.499 3.836 20 30 EHEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000438110725 1022397986 /nfs/dbraw/zinc/39/79/86/1022397986.db2.gz RFVCSGDMBCKQJT-IAGOWNOFSA-N 1 1 341.373 3.562 20 30 EHEDMO CC(C)OC(=O)C[C@H]([NH2+]Cc1csc(C#N)c1)c1ccccc1 ZINC000894489899 1022399812 /nfs/dbraw/zinc/39/98/12/1022399812.db2.gz JXOUTQVQFNFQNO-KRWDZBQOSA-N 1 1 328.437 3.792 20 30 EHEDMO N#CCCC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000517562115 1022458331 /nfs/dbraw/zinc/45/83/31/1022458331.db2.gz LCOQORPLEWUJGM-UHFFFAOYSA-N 1 1 330.819 3.906 20 30 EHEDMO N#Cc1nc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1Cl ZINC000067371957 1022460326 /nfs/dbraw/zinc/46/03/26/1022460326.db2.gz PNJTUXRHZLCEQN-MRXNPFEDSA-N 1 1 340.858 3.583 20 30 EHEDMO C[N@@H+](CCNC(=O)c1csc([C@@H]2CCCO2)n1)C1CCCCC1 ZINC000328765284 1022484683 /nfs/dbraw/zinc/48/46/83/1022484683.db2.gz GTYSWOYLJGRVGX-HNNXBMFYSA-N 1 1 337.489 3.564 20 30 EHEDMO CC(C)Oc1ccc(F)cc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000328886601 1022526864 /nfs/dbraw/zinc/52/68/64/1022526864.db2.gz OBANHMHLKWLOLP-GDBMZVCRSA-N 1 1 335.423 3.566 20 30 EHEDMO O=C(Nc1cccc(OCC(F)F)n1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000328969612 1022555970 /nfs/dbraw/zinc/55/59/70/1022555970.db2.gz OERIOPLTNCNEDP-ZDUSSCGKSA-N 1 1 339.386 3.721 20 30 EHEDMO COc1ccc(C#N)cc1CN1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000383064868 1022590900 /nfs/dbraw/zinc/59/09/00/1022590900.db2.gz CDZRXQFBIOJSEY-GOSISDBHSA-N 1 1 349.478 3.663 20 30 EHEDMO C=C(C)C[N@@H+](Cc1c2c(nn1C)CCSC2)Cc1ccccc1 ZINC000894600992 1022595176 /nfs/dbraw/zinc/59/51/76/1022595176.db2.gz NTTBCMHZNTVDMG-UHFFFAOYSA-N 1 1 327.497 3.788 20 30 EHEDMO C=C(C)C[N@H+](Cc1c2c(nn1C)CCSC2)Cc1ccccc1 ZINC000894600992 1022595185 /nfs/dbraw/zinc/59/51/85/1022595185.db2.gz NTTBCMHZNTVDMG-UHFFFAOYSA-N 1 1 327.497 3.788 20 30 EHEDMO C=CCC[C@H](CC)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000188500740 1022663110 /nfs/dbraw/zinc/66/31/10/1022663110.db2.gz CHCPJWFIIZDUQP-IBGZPJMESA-N 1 1 329.488 3.507 20 30 EHEDMO C=CCC[C@@H](CC)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000188500759 1022664011 /nfs/dbraw/zinc/66/40/11/1022664011.db2.gz CHCPJWFIIZDUQP-LJQANCHMSA-N 1 1 329.488 3.507 20 30 EHEDMO N#Cc1ccc(CN2CCC[N@@H+](C[C@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000506248061 1022705804 /nfs/dbraw/zinc/70/58/04/1022705804.db2.gz MSLBDHNAPVYRKX-PKTZIBPZSA-N 1 1 345.490 3.870 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)c(OC(F)F)c1 ZINC000437823567 1022719235 /nfs/dbraw/zinc/71/92/35/1022719235.db2.gz PADZUACNLOUNOW-QGZVFWFLSA-N 1 1 328.362 3.977 20 30 EHEDMO N#Cc1ccc(C[N@H+](CCc2ccccn2)Cc2cccnc2)s1 ZINC000430882359 1022839918 /nfs/dbraw/zinc/83/99/18/1022839918.db2.gz JVQQSHFXEDWRQR-UHFFFAOYSA-N 1 1 334.448 3.655 20 30 EHEDMO N#Cc1ccc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)s1 ZINC000430882359 1022839933 /nfs/dbraw/zinc/83/99/33/1022839933.db2.gz JVQQSHFXEDWRQR-UHFFFAOYSA-N 1 1 334.448 3.655 20 30 EHEDMO N#Cc1cccc(OCCC[N@@H+]2CCc3[nH]c4ccccc4c3C2)c1 ZINC000477765771 1022848297 /nfs/dbraw/zinc/84/82/97/1022848297.db2.gz NARJHOTURPKVMO-UHFFFAOYSA-N 1 1 331.419 3.867 20 30 EHEDMO N#Cc1cccc(OCCC[N@H+]2CCc3[nH]c4ccccc4c3C2)c1 ZINC000477765771 1022848311 /nfs/dbraw/zinc/84/83/11/1022848311.db2.gz NARJHOTURPKVMO-UHFFFAOYSA-N 1 1 331.419 3.867 20 30 EHEDMO C[N@@H+](CCCNC(=O)Nc1ccc(C#N)cc1Cl)C1CCCCC1 ZINC000426127634 1022966828 /nfs/dbraw/zinc/96/68/28/1022966828.db2.gz KNKMCRFDTADFHX-UHFFFAOYSA-N 1 1 348.878 3.988 20 30 EHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000438840317 1023057482 /nfs/dbraw/zinc/05/74/82/1023057482.db2.gz IOIAIQOIMAYWFI-SCTDSRPQSA-N 1 1 342.487 3.594 20 30 EHEDMO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507166526 1023158672 /nfs/dbraw/zinc/15/86/72/1023158672.db2.gz XAXDSPDTQIFDBX-AWEZNQCLSA-N 1 1 327.378 3.720 20 30 EHEDMO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000449737669 1033137035 /nfs/dbraw/zinc/13/70/35/1033137035.db2.gz ZNCGFDFLVAJMAW-IBGZPJMESA-N 1 1 334.398 3.991 20 30 EHEDMO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000449737669 1033137039 /nfs/dbraw/zinc/13/70/39/1033137039.db2.gz ZNCGFDFLVAJMAW-IBGZPJMESA-N 1 1 334.398 3.991 20 30 EHEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3ccc(C#N)c(OC)c3)C2)c1 ZINC000449758774 1033147056 /nfs/dbraw/zinc/14/70/56/1033147056.db2.gz VYRVAHBJIBRUJR-WGSAOQKQSA-N 1 1 336.435 3.953 20 30 EHEDMO CC(C)Oc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000535781504 1023628791 /nfs/dbraw/zinc/62/87/91/1023628791.db2.gz ONGDKKSMGHCPIR-UHFFFAOYSA-N 1 1 349.478 3.663 20 30 EHEDMO CC(C)Oc1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000535781504 1023628800 /nfs/dbraw/zinc/62/88/00/1023628800.db2.gz ONGDKKSMGHCPIR-UHFFFAOYSA-N 1 1 349.478 3.663 20 30 EHEDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000535798086 1023644924 /nfs/dbraw/zinc/64/49/24/1023644924.db2.gz FJMPYDOHXOSKKI-GOSISDBHSA-N 1 1 338.451 3.752 20 30 EHEDMO C[C@@H]([NH2+]Cc1cc(O)ccc1Br)c1cccc(C#N)c1 ZINC000610898917 1023858004 /nfs/dbraw/zinc/85/80/04/1023858004.db2.gz ZJIBEXLJYRNMGS-LLVKDONJSA-N 1 1 331.213 3.877 20 30 EHEDMO C=CCOc1ccc(CN(C[C@@H](O)C[N@@H+](C)C(C)C)C(C)(C)C)cc1 ZINC001168018380 1023960505 /nfs/dbraw/zinc/96/05/05/1023960505.db2.gz MTNUFUWHGXBJKZ-IBGZPJMESA-N 1 1 348.531 3.553 20 30 EHEDMO C=CCOc1ccc(CN(C[C@@H](O)C[N@H+](C)C(C)C)C(C)(C)C)cc1 ZINC001168018380 1023960510 /nfs/dbraw/zinc/96/05/10/1023960510.db2.gz MTNUFUWHGXBJKZ-IBGZPJMESA-N 1 1 348.531 3.553 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](C[C@@H](O)CN(C)C(C)C)C(C)(C)C)cc1 ZINC001168018380 1023960520 /nfs/dbraw/zinc/96/05/20/1023960520.db2.gz MTNUFUWHGXBJKZ-IBGZPJMESA-N 1 1 348.531 3.553 20 30 EHEDMO C=CCOc1ccc(C[N@H+](C[C@@H](O)CN(C)C(C)C)C(C)(C)C)cc1 ZINC001168018380 1023960528 /nfs/dbraw/zinc/96/05/28/1023960528.db2.gz MTNUFUWHGXBJKZ-IBGZPJMESA-N 1 1 348.531 3.553 20 30 EHEDMO C=CC[N@H+](CCC(=O)Nc1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000507777211 1024092813 /nfs/dbraw/zinc/09/28/13/1024092813.db2.gz GSXBBGZVSLKCGR-UHFFFAOYSA-N 1 1 342.414 3.851 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1)[C@@H](C)C(C)(C)C ZINC000346030618 1024114429 /nfs/dbraw/zinc/11/44/29/1024114429.db2.gz LOVQUTJKEGQVAB-KRWDZBQOSA-N 1 1 329.488 3.685 20 30 EHEDMO COc1ccc(/C=C\C(=O)c2ccc(-n3cc[nH+]c3C)cc2)cc1C#N ZINC000255430831 1024158708 /nfs/dbraw/zinc/15/87/08/1024158708.db2.gz KRRLNPAPYGTYHK-OQFOIZHKSA-N 1 1 343.386 3.957 20 30 EHEDMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C2CCC(=O)CC2)c1 ZINC000329848467 1024220771 /nfs/dbraw/zinc/22/07/71/1024220771.db2.gz RKWZRPRHOVJUHT-QGZVFWFLSA-N 1 1 343.427 3.534 20 30 EHEDMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)C2CCC(=O)CC2)c1 ZINC000329848467 1024220788 /nfs/dbraw/zinc/22/07/88/1024220788.db2.gz RKWZRPRHOVJUHT-QGZVFWFLSA-N 1 1 343.427 3.534 20 30 EHEDMO Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000329892158 1024237118 /nfs/dbraw/zinc/23/71/18/1024237118.db2.gz IUWHUUFRIHTDIS-WMZOPIPTSA-N 1 1 330.476 3.551 20 30 EHEDMO C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(Oc2ccccn2)CC1 ZINC000329893468 1024239559 /nfs/dbraw/zinc/23/95/59/1024239559.db2.gz ARRYUIBSBIHFLA-CGZBRXJRSA-N 1 1 345.487 3.849 20 30 EHEDMO CCC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000441634238 1024253308 /nfs/dbraw/zinc/25/33/08/1024253308.db2.gz MQMNFZXNYPQYTL-SFHVURJKSA-N 1 1 327.472 3.834 20 30 EHEDMO CC(C)(C)OC(=O)NCc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000895313516 1024280837 /nfs/dbraw/zinc/28/08/37/1024280837.db2.gz IPBCUGHPDMCXGE-QGZVFWFLSA-N 1 1 343.471 3.837 20 30 EHEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC1(C)CCCCCC1 ZINC000330004228 1024284339 /nfs/dbraw/zinc/28/43/39/1024284339.db2.gz AYXNTAVTXAFZFH-UHFFFAOYSA-N 1 1 343.475 3.888 20 30 EHEDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000063309159 1033200988 /nfs/dbraw/zinc/20/09/88/1033200988.db2.gz AUNCKUFDHAGRFH-AWEZNQCLSA-N 1 1 345.512 3.949 20 30 EHEDMO Cc1c2ccccc2oc1[C@@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000330116975 1024324479 /nfs/dbraw/zinc/32/44/79/1024324479.db2.gz WGNQWDTWQODJKE-KGLIPLIRSA-N 1 1 327.428 3.543 20 30 EHEDMO CC(C)[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCCO1 ZINC000550558877 1024351887 /nfs/dbraw/zinc/35/18/87/1024351887.db2.gz NWVQGJVIDBUGLC-KRWDZBQOSA-N 1 1 341.373 3.684 20 30 EHEDMO O=C(Nc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330256044 1024376363 /nfs/dbraw/zinc/37/63/63/1024376363.db2.gz KIIPUIYZLJNQLR-SFHVURJKSA-N 1 1 341.455 3.528 20 30 EHEDMO O=C(Nc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330256044 1024376383 /nfs/dbraw/zinc/37/63/83/1024376383.db2.gz KIIPUIYZLJNQLR-SFHVURJKSA-N 1 1 341.455 3.528 20 30 EHEDMO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000330289325 1024384767 /nfs/dbraw/zinc/38/47/67/1024384767.db2.gz DTNPTXNTMWMQPN-LIRRHRJNSA-N 1 1 346.519 3.722 20 30 EHEDMO CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000048745052 1024402674 /nfs/dbraw/zinc/40/26/74/1024402674.db2.gz PVRFWFMUVFLFJV-NRFANRHFSA-N 1 1 349.478 3.569 20 30 EHEDMO CC[N@@H+]1CC[C@@H](CNCc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000048745052 1024402678 /nfs/dbraw/zinc/40/26/78/1024402678.db2.gz PVRFWFMUVFLFJV-NRFANRHFSA-N 1 1 349.478 3.569 20 30 EHEDMO CC[N@H+]1CC[C@@H](CNCc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000048745052 1024402686 /nfs/dbraw/zinc/40/26/86/1024402686.db2.gz PVRFWFMUVFLFJV-NRFANRHFSA-N 1 1 349.478 3.569 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncc3c(c2C#N)CCC3)C1 ZINC000425234068 1024483953 /nfs/dbraw/zinc/48/39/53/1024483953.db2.gz WPTVVEZQPBCAPO-IAGOWNOFSA-N 1 1 338.499 3.533 20 30 EHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000435052067 1024581017 /nfs/dbraw/zinc/58/10/17/1024581017.db2.gz FWFROOVJVAVCAC-BEVDRBHNSA-N 1 1 334.419 3.650 20 30 EHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000435052067 1024581021 /nfs/dbraw/zinc/58/10/21/1024581021.db2.gz FWFROOVJVAVCAC-BEVDRBHNSA-N 1 1 334.419 3.650 20 30 EHEDMO C=C(Br)C[N@@H+](CCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729545289 1024658744 /nfs/dbraw/zinc/65/87/44/1024658744.db2.gz RZZUHRWAMSZKOF-CYBMUJFWSA-N 1 1 347.297 3.616 20 30 EHEDMO C=C(Br)C[N@H+](CCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729545289 1024658751 /nfs/dbraw/zinc/65/87/51/1024658751.db2.gz RZZUHRWAMSZKOF-CYBMUJFWSA-N 1 1 347.297 3.616 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000281147428 1024674358 /nfs/dbraw/zinc/67/43/58/1024674358.db2.gz ZQMZWCGGGRYBCW-IBGZPJMESA-N 1 1 335.451 3.674 20 30 EHEDMO CCc1ccc([C@H]2C[N@H+](CCCC3(C#N)CCOCC3)CCO2)cc1 ZINC000281179928 1024749469 /nfs/dbraw/zinc/74/94/69/1024749469.db2.gz ATZHCIXVFGFHSL-HXUWFJFHSA-N 1 1 342.483 3.723 20 30 EHEDMO CCc1ccc([C@H]2C[N@@H+](CCCC3(C#N)CCOCC3)CCO2)cc1 ZINC000281179928 1024749482 /nfs/dbraw/zinc/74/94/82/1024749482.db2.gz ATZHCIXVFGFHSL-HXUWFJFHSA-N 1 1 342.483 3.723 20 30 EHEDMO Cc1ccccc1C[N@H+](CC(=O)Nc1sccc1C#N)C1CC1 ZINC000346506832 1024787288 /nfs/dbraw/zinc/78/72/88/1024787288.db2.gz SMRLXYFAQAZNJS-UHFFFAOYSA-N 1 1 325.437 3.531 20 30 EHEDMO Cc1ccccc1C[N@@H+](CC(=O)Nc1sccc1C#N)C1CC1 ZINC000346506832 1024787299 /nfs/dbraw/zinc/78/72/99/1024787299.db2.gz SMRLXYFAQAZNJS-UHFFFAOYSA-N 1 1 325.437 3.531 20 30 EHEDMO CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2CN(C(=O)CCS)C[C@H]2CC1 ZINC001269953384 1024894664 /nfs/dbraw/zinc/89/46/64/1024894664.db2.gz PBWMGZDEMSVQBQ-KURKYZTESA-N 1 1 340.577 3.693 20 30 EHEDMO N#Cc1c(Cl)cccc1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000346669767 1025004960 /nfs/dbraw/zinc/00/49/60/1025004960.db2.gz LASRPJWQVJGPMW-UHFFFAOYSA-N 1 1 341.842 3.656 20 30 EHEDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccccc2-c2ccccc2C#N)C[C@H]1C ZINC000346765458 1025061744 /nfs/dbraw/zinc/06/17/44/1025061744.db2.gz HJKTWXGLBZEMFM-IAGOWNOFSA-N 1 1 347.462 3.780 20 30 EHEDMO N#CCCOCC[N@H+]1CCC[C@@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000602931824 1033257973 /nfs/dbraw/zinc/25/79/73/1033257973.db2.gz UBCSHECXCKKQRO-OAHLLOKOSA-N 1 1 330.325 3.912 20 30 EHEDMO N#CCCOCC[N@@H+]1CCC[C@@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000602931824 1033257980 /nfs/dbraw/zinc/25/79/80/1033257980.db2.gz UBCSHECXCKKQRO-OAHLLOKOSA-N 1 1 330.325 3.912 20 30 EHEDMO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000262256017 1025157402 /nfs/dbraw/zinc/15/74/02/1025157402.db2.gz JAPXUZRMFIDYMN-KRWDZBQOSA-N 1 1 342.512 3.929 20 30 EHEDMO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](CC)c1ccccc1 ZINC000521193948 1025254940 /nfs/dbraw/zinc/25/49/40/1025254940.db2.gz ZLIAIPMNXBLZQA-AZUAARDMSA-N 1 1 329.488 3.904 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000896226315 1025258888 /nfs/dbraw/zinc/25/88/88/1025258888.db2.gz CYKCACNSKFQJRC-WFASDCNBSA-N 1 1 342.336 3.844 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC000896244404 1025272246 /nfs/dbraw/zinc/27/22/46/1025272246.db2.gz SKYSSMXYDZWRNO-UKRRQHHQSA-N 1 1 349.500 3.602 20 30 EHEDMO Cc1n[nH]cc1C1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000551426548 1025308737 /nfs/dbraw/zinc/30/87/37/1025308737.db2.gz ARWLLUDVULVHGZ-UHFFFAOYSA-N 1 1 346.381 3.571 20 30 EHEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nncn1C ZINC000346933772 1025326731 /nfs/dbraw/zinc/32/67/31/1025326731.db2.gz CAUMUPXJKMEJHN-LSDHHAIUSA-N 1 1 331.423 3.766 20 30 EHEDMO Cc1c(C#N)cccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000178540000 1025331081 /nfs/dbraw/zinc/33/10/81/1025331081.db2.gz ZIBDTLWONZINHK-UHFFFAOYSA-N 1 1 348.450 3.607 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000098030226 1025406755 /nfs/dbraw/zinc/40/67/55/1025406755.db2.gz SZVQLDOSGLLADA-HZPDHXFCSA-N 1 1 335.517 3.566 20 30 EHEDMO N#Cc1cccc(OCCN2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000515743474 1025532706 /nfs/dbraw/zinc/53/27/06/1025532706.db2.gz UADSCRWKNUSMFD-UHFFFAOYSA-N 1 1 341.499 3.525 20 30 EHEDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000329110022 1025610508 /nfs/dbraw/zinc/61/05/08/1025610508.db2.gz QCRNHXUKJJRMAI-HZPDHXFCSA-N 1 1 344.846 3.662 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000425538822 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347.499 3.816 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)c2ccccc2)c(C#N)c1C ZINC000533401708 1027777520 /nfs/dbraw/zinc/77/75/20/1027777520.db2.gz OPBUIURIEKQFBL-DZGCQCFKSA-N 1 1 339.439 3.831 20 30 EHEDMO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000421011589 1027967787 /nfs/dbraw/zinc/96/77/87/1027967787.db2.gz JGMLZENPNMMSKT-QAPCUYQASA-N 1 1 328.456 3.552 20 30 EHEDMO C[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@@H]1O ZINC000193125918 1028009236 /nfs/dbraw/zinc/00/92/36/1028009236.db2.gz UPPBGGKAFOGDET-RXVVDRJESA-N 1 1 334.463 3.589 20 30 EHEDMO N#Cc1ccc(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)s1 ZINC000421352428 1028296110 /nfs/dbraw/zinc/29/61/10/1028296110.db2.gz QSAJHDWMZZEITI-UHFFFAOYSA-N 1 1 343.471 3.556 20 30 EHEDMO CC[C@@H]1C[NH+](Cc2ccc(OC)c(OCCCC#N)c2)C[C@@H](CC)O1 ZINC000421392653 1028368150 /nfs/dbraw/zinc/36/81/50/1028368150.db2.gz QVKLAGLXOSFKBY-QZTJIDSGSA-N 1 1 346.471 3.767 20 30 EHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3cn4ccccc4c3C#N)C2)cc1 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BKRKSLBHFHOKSZ-DNVCBOLYSA-N 1 1 344.499 3.656 20 30 EHEDMO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000532817259 1028909174 /nfs/dbraw/zinc/90/91/74/1028909174.db2.gz BKRKSLBHFHOKSZ-DNVCBOLYSA-N 1 1 344.499 3.656 20 30 EHEDMO CC[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000248904977 1028964929 /nfs/dbraw/zinc/96/49/29/1028964929.db2.gz XSFIYHURJPTKQV-CVEARBPZSA-N 1 1 331.435 3.583 20 30 EHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC2(CCCCC2)C1 ZINC000532983002 1029142032 /nfs/dbraw/zinc/14/20/32/1029142032.db2.gz UVSAPWFFOQDZFC-UHFFFAOYSA-N 1 1 325.456 3.933 20 30 EHEDMO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCC(C)(C)C#N)CC1 ZINC000272004664 1029267749 /nfs/dbraw/zinc/26/77/49/1029267749.db2.gz IPUXQEGPBGTDFS-INIZCTEOSA-N 1 1 346.494 3.558 20 30 EHEDMO C=CCC1(C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)CCOCC1 ZINC000424736706 1029306301 /nfs/dbraw/zinc/30/63/01/1029306301.db2.gz NFYJFJVDYVANQO-UHFFFAOYSA-N 1 1 342.483 3.970 20 30 EHEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000424784987 1029333752 /nfs/dbraw/zinc/33/37/52/1029333752.db2.gz KSMQLCRRZXQJSE-RBUKOAKNSA-N 1 1 342.483 3.692 20 30 EHEDMO CCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)CC1CCCCC1 ZINC000533131817 1029361768 /nfs/dbraw/zinc/36/17/68/1029361768.db2.gz CSINMPBQJRJZKV-UHFFFAOYSA-N 1 1 348.512 3.624 20 30 EHEDMO C=CC[C@@H](CC)NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000454925456 1029465193 /nfs/dbraw/zinc/46/51/93/1029465193.db2.gz YTZWBDPYMFZUSQ-IEBWSBKVSA-N 1 1 329.488 3.505 20 30 EHEDMO C=CCn1cccc1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425033532 1029498252 /nfs/dbraw/zinc/49/82/52/1029498252.db2.gz FDYLRJBVSKISOZ-UHFFFAOYSA-N 1 1 344.484 3.540 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1csc2ccccc12 ZINC000533239739 1029499207 /nfs/dbraw/zinc/49/92/07/1029499207.db2.gz HUCKPCIKTBKTHZ-HNNXBMFYSA-N 1 1 328.481 3.922 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C)c1 ZINC000533278924 1029560647 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ZINC000433305262 1041247376 /nfs/dbraw/zinc/24/73/76/1041247376.db2.gz PGFVNNVLDXJJJQ-INIZCTEOSA-N 1 1 339.826 3.640 20 30 EHEDMO C=CC1CC[NH+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000111259918 1041536126 /nfs/dbraw/zinc/53/61/26/1041536126.db2.gz OYKAIWUPEXIPRA-HNNXBMFYSA-N 1 1 343.496 3.917 20 30 EHEDMO CCN(CCC#N)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000343876264 1042080398 /nfs/dbraw/zinc/08/03/98/1042080398.db2.gz VIRALXWMZMASOU-UHFFFAOYSA-N 1 1 335.451 3.694 20 30 EHEDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000661438788 1042126283 /nfs/dbraw/zinc/12/62/83/1042126283.db2.gz WKJJCJIKZJEMFI-WMLDXEAASA-N 1 1 325.374 3.540 20 30 EHEDMO CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595608878 1042214949 /nfs/dbraw/zinc/21/49/49/1042214949.db2.gz AVGSRMIMYUACLX-SCTDSRPQSA-N 1 1 327.472 3.658 20 30 EHEDMO CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595608878 1042214955 /nfs/dbraw/zinc/21/49/55/1042214955.db2.gz AVGSRMIMYUACLX-SCTDSRPQSA-N 1 1 327.472 3.658 20 30 EHEDMO Cc1ccc([C@H]2CCCC[N@H+]2C[C@@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599299977 1042528370 /nfs/dbraw/zinc/52/83/70/1042528370.db2.gz QTYDHBGUHDJGER-VQTJNVASSA-N 1 1 342.483 3.593 20 30 EHEDMO C=CC[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000188307903 1042588112 /nfs/dbraw/zinc/58/81/12/1042588112.db2.gz NMKSYAQGYYMUHZ-ICSRJNTNSA-N 1 1 328.500 3.975 20 30 EHEDMO C[C@@H](C(=O)N[C@@H](CCC#N)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000153644364 1125642216 /nfs/dbraw/zinc/64/22/16/1125642216.db2.gz UTYMJFPNTKANIN-UWJYYQICSA-N 1 1 347.462 3.594 20 30 EHEDMO C[C@@H](C(=O)N[C@@H](CCC#N)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000153644364 1125642219 /nfs/dbraw/zinc/64/22/19/1125642219.db2.gz UTYMJFPNTKANIN-UWJYYQICSA-N 1 1 347.462 3.594 20 30 EHEDMO CC(C)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(C#N)cc1 ZINC000072583635 1126768537 /nfs/dbraw/zinc/76/85/37/1126768537.db2.gz ASILSAYTOZUCCJ-UHFFFAOYSA-N 1 1 346.434 3.669 20 30 EHEDMO C=CCOc1c(Cl)cc(C[NH2+]Cc2cccc(C)n2)cc1OC ZINC000623364694 1126933386 /nfs/dbraw/zinc/93/33/86/1126933386.db2.gz OEKFNJCTPNPQHI-UHFFFAOYSA-N 1 1 332.831 3.907 20 30 EHEDMO C#CC[N@H+](C[C@H](O)CO[C@@H](c1ccccc1)c1ccccc1C)C1CC1 ZINC000763948628 1126952706 /nfs/dbraw/zinc/95/27/06/1126952706.db2.gz CGSKNXVIWIIILB-GMAHTHKFSA-N 1 1 349.474 3.560 20 30 EHEDMO C=C[C@@H](CC(=O)Nc1c[nH+]ccc1-n1cc(C)cn1)c1ccccc1 ZINC000179535706 1127069650 /nfs/dbraw/zinc/06/96/50/1127069650.db2.gz ABMDWAKLHPCDOZ-INIZCTEOSA-N 1 1 332.407 3.874 20 30 EHEDMO C#CC[N@@H+](Cc1cn(-c2ccc(Br)cc2)nc1C)C1CC1 ZINC000764682946 1127523026 /nfs/dbraw/zinc/52/30/26/1127523026.db2.gz MTNFLGJYZLTDMO-UHFFFAOYSA-N 1 1 344.256 3.541 20 30 EHEDMO C#CC[N@H+](Cc1cn(-c2ccc(Br)cc2)nc1C)C1CC1 ZINC000764682946 1127523029 /nfs/dbraw/zinc/52/30/29/1127523029.db2.gz MTNFLGJYZLTDMO-UHFFFAOYSA-N 1 1 344.256 3.541 20 30 EHEDMO Cc1c([C@H](C)[NH2+]Cc2ccc(C#N)cc2)nnn1-c1ccc(C)cc1 ZINC000765009486 1127564058 /nfs/dbraw/zinc/56/40/58/1127564058.db2.gz GXHONVMLYUDNOY-HNNXBMFYSA-N 1 1 331.423 3.607 20 30 EHEDMO S=C(NN=C1CC[N@H+]2CCC[C@H]12)Nc1ccc(Cl)cc1Cl ZINC000765555121 1127663723 /nfs/dbraw/zinc/66/37/23/1127663723.db2.gz PCGYVVZQRBTGCE-CYBMUJFWSA-N 1 1 343.283 3.504 20 30 EHEDMO COc1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)ccc1C#N ZINC000282214202 1128087673 /nfs/dbraw/zinc/08/76/73/1128087673.db2.gz HNVLOPBDFQTPJY-SJORKVTESA-N 1 1 342.464 3.716 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000108360961 1128131706 /nfs/dbraw/zinc/13/17/06/1128131706.db2.gz BXCLMIWNDYDQDN-KGLIPLIRSA-N 1 1 331.485 3.607 20 30 EHEDMO N#Cc1cc(C[NH2+][C@H](CN2CCCCC2)c2ccccc2)cs1 ZINC000921666294 1128445144 /nfs/dbraw/zinc/44/51/44/1128445144.db2.gz CSELBPCQDCUPMX-LJQANCHMSA-N 1 1 325.481 3.937 20 30 EHEDMO N#Cc1cc(F)ccc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000301201092 1128578622 /nfs/dbraw/zinc/57/86/22/1128578622.db2.gz MTUYKDWJOFCQGF-UHFFFAOYSA-N 1 1 327.378 3.549 20 30 EHEDMO C[C@@H]1C[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000301611225 1128598593 /nfs/dbraw/zinc/59/85/93/1128598593.db2.gz DNJGLOVWKFOJJI-RHSMWYFYSA-N 1 1 336.395 3.541 20 30 EHEDMO CC[C@H](c1ccccc1OC)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000553990983 1128600309 /nfs/dbraw/zinc/60/03/09/1128600309.db2.gz LIDHIYQBTZQWJI-GOSISDBHSA-N 1 1 337.423 3.588 20 30 EHEDMO CC[C@H](c1ccccc1OC)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000553990983 1128600311 /nfs/dbraw/zinc/60/03/11/1128600311.db2.gz LIDHIYQBTZQWJI-GOSISDBHSA-N 1 1 337.423 3.588 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(Cl)c(C#N)n1 ZINC000302163152 1128623749 /nfs/dbraw/zinc/62/37/49/1128623749.db2.gz IEDWDFZQZMUGOP-GUYCJALGSA-N 1 1 326.831 3.539 20 30 EHEDMO CC(C)C[N@H+]1CC[C@H](CNc2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000302183531 1128624640 /nfs/dbraw/zinc/62/46/40/1128624640.db2.gz GBBYZOHUGMPCDS-CYBMUJFWSA-N 1 1 325.378 3.967 20 30 EHEDMO C[C@@H]1C[C@H](Nc2cc(C#N)ccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000302196090 1128625304 /nfs/dbraw/zinc/62/53/04/1128625304.db2.gz DYAWNVWOTPLTLG-PBHICJAKSA-N 1 1 336.395 3.541 20 30 EHEDMO N#Cc1cc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000302210719 1128627059 /nfs/dbraw/zinc/62/70/59/1128627059.db2.gz YXXXPUNVSVDPHF-SFHVURJKSA-N 1 1 336.395 3.543 20 30 EHEDMO Cc1ccc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)nc1C#N ZINC000302610376 1128638977 /nfs/dbraw/zinc/63/89/77/1128638977.db2.gz DULHIJFVDUTAGN-CQSZACIVSA-N 1 1 342.393 3.616 20 30 EHEDMO Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)nc1C#N ZINC000302610376 1128638980 /nfs/dbraw/zinc/63/89/80/1128638980.db2.gz DULHIJFVDUTAGN-CQSZACIVSA-N 1 1 342.393 3.616 20 30 EHEDMO CC(C)[N@@H+](CC(=O)N([C@H](C)C1CC1)C1CC1)Cc1ccc(C#N)cc1 ZINC000123200786 1128677241 /nfs/dbraw/zinc/67/72/41/1128677241.db2.gz HJFRGPRGZGJEKM-MRXNPFEDSA-N 1 1 339.483 3.558 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1ccccc1Cl ZINC000303761816 1128694274 /nfs/dbraw/zinc/69/42/74/1128694274.db2.gz AAVOOWWUBSOGNB-UHFFFAOYSA-N 1 1 330.815 3.731 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1ccccc1Cl ZINC000303761816 1128694276 /nfs/dbraw/zinc/69/42/76/1128694276.db2.gz AAVOOWWUBSOGNB-UHFFFAOYSA-N 1 1 330.815 3.731 20 30 EHEDMO CCc1ccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000109404574 1128731305 /nfs/dbraw/zinc/73/13/05/1128731305.db2.gz QDFPKBKESDMUKX-UHFFFAOYSA-N 1 1 335.451 3.970 20 30 EHEDMO CCc1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000109404574 1128731306 /nfs/dbraw/zinc/73/13/06/1128731306.db2.gz QDFPKBKESDMUKX-UHFFFAOYSA-N 1 1 335.451 3.970 20 30 EHEDMO CN1CCC[C@@H](C[NH2+]Cc2csc(C#N)c2)[C@H]1c1cccs1 ZINC000921775566 1128750785 /nfs/dbraw/zinc/75/07/85/1128750785.db2.gz GDLAPCTWXKCOOQ-YOEHRIQHSA-N 1 1 331.510 3.854 20 30 EHEDMO COc1ccc([C@H]2C[C@@H]([N@@H+](C)Cc3cccc(C#N)c3)CCO2)cc1 ZINC001168673182 1128775791 /nfs/dbraw/zinc/77/57/91/1128775791.db2.gz QZWKYUZEPKLITK-PZJWPPBQSA-N 1 1 336.435 3.919 20 30 EHEDMO CCOCCOc1cc(C)ccc1C[NH2+]Cc1csc(C#N)c1 ZINC000921829653 1128794825 /nfs/dbraw/zinc/79/48/25/1128794825.db2.gz JDFZBZRUZXDKNU-UHFFFAOYSA-N 1 1 330.453 3.633 20 30 EHEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000063750662 1128895875 /nfs/dbraw/zinc/89/58/75/1128895875.db2.gz WCXKVZSQHSEQGP-UHFFFAOYSA-N 1 1 339.395 3.886 20 30 EHEDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2sc3ccc(C#N)cc3c2C)C[C@@H]1C ZINC000494479999 1120569677 /nfs/dbraw/zinc/56/96/77/1120569677.db2.gz QNZNKORJFDEWOC-QWHCGFSZSA-N 1 1 341.480 3.636 20 30 EHEDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2sc3ccc(C#N)cc3c2C)C[C@@H]1C ZINC000494479999 1120569682 /nfs/dbraw/zinc/56/96/82/1120569682.db2.gz QNZNKORJFDEWOC-QWHCGFSZSA-N 1 1 341.480 3.636 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)c(Cl)c1 ZINC000520292057 1128936200 /nfs/dbraw/zinc/93/62/00/1128936200.db2.gz OBBCFBRLAPPZRZ-SFHVURJKSA-N 1 1 337.854 3.849 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000494711239 1120738242 /nfs/dbraw/zinc/73/82/42/1120738242.db2.gz NWNYEFLDLVOMQF-JKSUJKDBSA-N 1 1 333.476 3.544 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@H+]1CC1(C#N)CC1 ZINC000494711239 1120738246 /nfs/dbraw/zinc/73/82/46/1120738246.db2.gz NWNYEFLDLVOMQF-JKSUJKDBSA-N 1 1 333.476 3.544 20 30 EHEDMO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[N@H+](CCCC(C)(C)C#N)C2 ZINC000153276930 1120933979 /nfs/dbraw/zinc/93/39/79/1120933979.db2.gz YCVFZIAQUSJEKD-IYBDPMFKSA-N 1 1 335.492 3.790 20 30 EHEDMO C[C@@H]1[C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000310828854 1128963120 /nfs/dbraw/zinc/96/31/20/1128963120.db2.gz YLJQFRFYRLFLBE-KDOFPFPSSA-N 1 1 336.395 3.541 20 30 EHEDMO Cc1nc(N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)ccc1C#N ZINC000487912743 1121200933 /nfs/dbraw/zinc/20/09/33/1121200933.db2.gz GYQUWNLQQLGJTK-HNNXBMFYSA-N 1 1 340.858 3.798 20 30 EHEDMO CCCC[C@H](CC)C[N@@H+]1CC[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2CC1 ZINC001272610520 1121268291 /nfs/dbraw/zinc/26/82/91/1121268291.db2.gz HVQHOHGXGOBYLJ-HCXYKTFWSA-N 1 1 333.520 3.533 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(F)cc2C)c(C#N)c1C ZINC000487966932 1121394756 /nfs/dbraw/zinc/39/47/56/1121394756.db2.gz ZHZJGFIHCVWZAH-CYBMUJFWSA-N 1 1 343.402 3.675 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(F)cc2C)c(C#N)c1C ZINC000487966932 1121394761 /nfs/dbraw/zinc/39/47/61/1121394761.db2.gz ZHZJGFIHCVWZAH-CYBMUJFWSA-N 1 1 343.402 3.675 20 30 EHEDMO C[C@H](NCc1csc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000921976410 1128989020 /nfs/dbraw/zinc/98/90/20/1128989020.db2.gz FEHIICOYNAIYLB-YJBOKZPZSA-N 1 1 325.481 3.620 20 30 EHEDMO C[C@@H](NC(=O)Nc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272384822 1121600963 /nfs/dbraw/zinc/60/09/63/1121600963.db2.gz IKALGYODYKMKJO-APWZRJJASA-N 1 1 348.450 3.590 20 30 EHEDMO CCCCC[N@@H+](CCCOC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000272582401 1121752393 /nfs/dbraw/zinc/75/23/93/1121752393.db2.gz OJAVRZBJOYADGN-UHFFFAOYSA-N 1 1 342.443 3.637 20 30 EHEDMO C[C@H](C#N)C[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C1CC1 ZINC000496137910 1121919452 /nfs/dbraw/zinc/91/94/52/1121919452.db2.gz 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3.615 20 30 EHEDMO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@@H](C)CCCC(C)C ZINC001170077346 1134037606 /nfs/dbraw/zinc/03/76/06/1134037606.db2.gz JNGDXUSKARZXQO-WMZOPIPTSA-N 1 1 334.508 3.615 20 30 EHEDMO CC[N@@H+](CCCNC(=O)OC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000774840311 1134048189 /nfs/dbraw/zinc/04/81/89/1134048189.db2.gz LHCPLINEBWRHJX-HNNXBMFYSA-N 1 1 331.460 3.856 20 30 EHEDMO CC[C@H](C)[N@@H+](C)CCNc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC001185203577 1134049785 /nfs/dbraw/zinc/04/97/85/1134049785.db2.gz JPWPCASQTRAYPQ-HNNXBMFYSA-N 1 1 339.487 3.626 20 30 EHEDMO C#CCC1(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCCCC1 ZINC000788192808 1134092807 /nfs/dbraw/zinc/09/28/07/1134092807.db2.gz JCBQMUXXBPSCAZ-AZUAARDMSA-N 1 1 338.495 3.912 20 30 EHEDMO COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2Cl)cc1C#N ZINC000746740236 1134108219 /nfs/dbraw/zinc/10/82/19/1134108219.db2.gz DUHIUGFZFWJUJQ-UHFFFAOYSA-N 1 1 346.814 3.527 20 30 EHEDMO CC1(C)CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CCS1 ZINC000788375723 1134119437 /nfs/dbraw/zinc/11/94/37/1134119437.db2.gz BKTJRZHWNXCIGS-UHFFFAOYSA-N 1 1 326.469 3.597 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CCOC)Cc2c(C)ccc3ccccc32)n1 ZINC000789324868 1134256680 /nfs/dbraw/zinc/25/66/80/1134256680.db2.gz VXTSYWOYUPVVCI-UHFFFAOYSA-N 1 1 347.462 3.627 20 30 EHEDMO C#CCn1ccc(C[N@H+](CCOC)Cc2c(C)ccc3ccccc32)n1 ZINC000789324868 1134256685 /nfs/dbraw/zinc/25/66/85/1134256685.db2.gz VXTSYWOYUPVVCI-UHFFFAOYSA-N 1 1 347.462 3.627 20 30 EHEDMO C#C[C@H](C)NC(=O)C[C@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)[C@@H]1C ZINC001186949376 1134276654 /nfs/dbraw/zinc/27/66/54/1134276654.db2.gz SMDMXXLNXPNULQ-UEXGIBASSA-N 1 1 346.474 3.624 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1O ZINC000789501410 1134286319 /nfs/dbraw/zinc/28/63/19/1134286319.db2.gz FGBBACBIGLQHQZ-RBUKOAKNSA-N 1 1 331.456 3.663 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[N@H+](CC)CC2)c1 ZINC001189251575 1134557944 /nfs/dbraw/zinc/55/79/44/1134557944.db2.gz CYUIAZKGKBACNR-UHFFFAOYSA-N 1 1 329.488 3.692 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N2CC[C@H]([N@@H+](C)C3CC3)C2)c1 ZINC001189267691 1134564564 /nfs/dbraw/zinc/56/45/64/1134564564.db2.gz BGTMFTYDTHGJAE-IBGZPJMESA-N 1 1 341.499 3.833 20 30 EHEDMO COC[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccccc1 ZINC000775305111 1134621541 /nfs/dbraw/zinc/62/15/41/1134621541.db2.gz OAONBIMBAXZTJU-QGZVFWFLSA-N 1 1 330.815 3.720 20 30 EHEDMO Cc1ccc(SCc2ccc(C[NH+]3CCOCC3)cc2)c(C#N)c1 ZINC001190003245 1134648084 /nfs/dbraw/zinc/64/80/84/1134648084.db2.gz SXTXROAVJYZIOQ-UHFFFAOYSA-N 1 1 338.476 3.991 20 30 EHEDMO C[N@@H+](CC#Cc1ccccc1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000792236365 1134669368 /nfs/dbraw/zinc/66/93/68/1134669368.db2.gz KZTZZGJJONVAGA-UHFFFAOYSA-N 1 1 330.472 3.521 20 30 EHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792216094 1134672520 /nfs/dbraw/zinc/67/25/20/1134672520.db2.gz OYQKHPYKLAPRDV-GOSISDBHSA-N 1 1 326.440 3.502 20 30 EHEDMO C#CC[N@@H+](Cc1ccn(-c2ccc(F)cc2F)n1)C1CCCCC1 ZINC001190699140 1134734112 /nfs/dbraw/zinc/73/41/12/1134734112.db2.gz FTOOYTPYGYSZHK-UHFFFAOYSA-N 1 1 329.394 3.918 20 30 EHEDMO C#CC[N@H+](Cc1ccn(-c2ccc(F)cc2F)n1)C1CCCCC1 ZINC001190699140 1134734114 /nfs/dbraw/zinc/73/41/14/1134734114.db2.gz FTOOYTPYGYSZHK-UHFFFAOYSA-N 1 1 329.394 3.918 20 30 EHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC001190864825 1134761639 /nfs/dbraw/zinc/76/16/39/1134761639.db2.gz LNFBZAVOEDZDJZ-UHFFFAOYSA-N 1 1 349.478 3.644 20 30 EHEDMO CN(CC[N@@H+](C)Cc1ccccc1)C(=O)c1cccc(C(C)(C)C#N)c1 ZINC001190930882 1134766653 /nfs/dbraw/zinc/76/66/53/1134766653.db2.gz GOSNKPDXAUFHTL-UHFFFAOYSA-N 1 1 349.478 3.692 20 30 EHEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001191005470 1134777990 /nfs/dbraw/zinc/77/79/90/1134777990.db2.gz TWNJFKGESBIRRO-KUHUBIRLSA-N 1 1 328.843 3.808 20 30 EHEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C)cc1 ZINC001191004204 1134778222 /nfs/dbraw/zinc/77/82/22/1134778222.db2.gz NVQDDHHFLSQMJA-XLIONFOSSA-N 1 1 332.447 3.875 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792908222 1134820790 /nfs/dbraw/zinc/82/07/90/1134820790.db2.gz LOBANMFUKPAFRV-CABCVRRESA-N 1 1 325.239 3.583 20 30 EHEDMO N#Cc1cc(Cl)cc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC001191304989 1134843740 /nfs/dbraw/zinc/84/37/40/1134843740.db2.gz DYWNWGVZLGMHPO-LJQANCHMSA-N 1 1 326.827 3.693 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC001192662273 1135047626 /nfs/dbraw/zinc/04/76/26/1135047626.db2.gz LUWQLDZQXVAZAK-JKSUJKDBSA-N 1 1 343.471 3.696 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC001192662273 1135047631 /nfs/dbraw/zinc/04/76/31/1135047631.db2.gz LUWQLDZQXVAZAK-JKSUJKDBSA-N 1 1 343.471 3.696 20 30 EHEDMO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000775554196 1135068319 /nfs/dbraw/zinc/06/83/19/1135068319.db2.gz VKJDEVWEXDQVCR-SFHVURJKSA-N 1 1 340.398 3.727 20 30 EHEDMO CCCCCCC[C@H](C)NC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC001192932104 1135079233 /nfs/dbraw/zinc/07/92/33/1135079233.db2.gz ZECDAZVNLXYSDB-SFHVURJKSA-N 1 1 346.519 3.971 20 30 EHEDMO C#CCCN1CC[NH+](Cc2c(OC(C)C)ccc3ccccc32)CC1 ZINC001193044447 1135087648 /nfs/dbraw/zinc/08/76/48/1135087648.db2.gz NZNHRJJVYRYKMN-UHFFFAOYSA-N 1 1 336.479 3.768 20 30 EHEDMO CC[N@@H+](CCOc1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001193094127 1135105312 /nfs/dbraw/zinc/10/53/12/1135105312.db2.gz OCYRQZKKORYLDC-NRFANRHFSA-N 1 1 349.478 3.533 20 30 EHEDMO CCN(CCOc1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001193094127 1135105315 /nfs/dbraw/zinc/10/53/15/1135105315.db2.gz OCYRQZKKORYLDC-NRFANRHFSA-N 1 1 349.478 3.533 20 30 EHEDMO CCN(CCOc1cccc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001193094127 1135105319 /nfs/dbraw/zinc/10/53/19/1135105319.db2.gz OCYRQZKKORYLDC-NRFANRHFSA-N 1 1 349.478 3.533 20 30 EHEDMO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)[C@H]1C ZINC001193608525 1135158950 /nfs/dbraw/zinc/15/89/50/1135158950.db2.gz YJMXCSOOALDBDL-RCCFBDPRSA-N 1 1 327.472 3.751 20 30 EHEDMO C=CCCCC[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC001194250913 1135250328 /nfs/dbraw/zinc/25/03/28/1135250328.db2.gz KOTFUYMXVCTDQS-HXUWFJFHSA-N 1 1 328.500 3.946 20 30 EHEDMO Cc1ccc(OC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001194483433 1135277304 /nfs/dbraw/zinc/27/73/04/1135277304.db2.gz CRPCNYNTKMZUFQ-UHFFFAOYSA-N 1 1 349.434 3.642 20 30 EHEDMO CC1(C)[C@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC001195250335 1135399382 /nfs/dbraw/zinc/39/93/82/1135399382.db2.gz MCVFARHWQWDRRE-IBGZPJMESA-N 1 1 333.435 3.765 20 30 EHEDMO CC1(C)C[C@@H](c2ccccc2)[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC001195377560 1135421982 /nfs/dbraw/zinc/42/19/82/1135421982.db2.gz YJJQJZAMCSILBC-FQEVSTJZSA-N 1 1 347.462 3.648 20 30 EHEDMO C#Cc1cccc(NC(=S)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000806609638 1135469858 /nfs/dbraw/zinc/46/98/58/1135469858.db2.gz SQCYDPYECAIDDH-JXFKEZNVSA-N 1 1 349.503 3.617 20 30 EHEDMO C#CC[N@@H+](Cc1cc(Cl)cc(Br)c1)C1CSC1 ZINC001195978746 1135496265 /nfs/dbraw/zinc/49/62/65/1135496265.db2.gz OWZHSEHAZRYADT-UHFFFAOYSA-N 1 1 330.678 3.653 20 30 EHEDMO C#CC[N@H+](Cc1cc(Cl)cc(Br)c1)C1CSC1 ZINC001195978746 1135496269 /nfs/dbraw/zinc/49/62/69/1135496269.db2.gz OWZHSEHAZRYADT-UHFFFAOYSA-N 1 1 330.678 3.653 20 30 EHEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC001195946592 1135498727 /nfs/dbraw/zinc/49/87/27/1135498727.db2.gz KXUXKRYPSHHUJY-UONOGXRCSA-N 1 1 331.847 3.827 20 30 EHEDMO C#CCC(CC#C)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC000807663485 1135558418 /nfs/dbraw/zinc/55/84/18/1135558418.db2.gz WSROCAHGVCKEFS-LJQANCHMSA-N 1 1 344.886 3.502 20 30 EHEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccc(O)cc1)c1ccc(F)c(F)c1 ZINC000775723747 1135578064 /nfs/dbraw/zinc/57/80/64/1135578064.db2.gz LZHNRKRJGBKMEP-GOSISDBHSA-N 1 1 332.350 3.516 20 30 EHEDMO CC[N@@H+](CCNC(=O)Nc1cccc(C#Cc2ccccc2)c1)C(C)C ZINC001196705471 1135597950 /nfs/dbraw/zinc/59/79/50/1135597950.db2.gz IIGAKXHOOMMJCG-UHFFFAOYSA-N 1 1 349.478 3.938 20 30 EHEDMO C#CCOCC[N@H+]1CCC[C@H]1c1ccc(Br)cc1Cl ZINC001196834027 1135616393 /nfs/dbraw/zinc/61/63/93/1135616393.db2.gz VUYAWUJHTIOOEQ-HNNXBMFYSA-N 1 1 342.664 3.889 20 30 EHEDMO C#CCOCC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1Cl ZINC001196834027 1135616396 /nfs/dbraw/zinc/61/63/96/1135616396.db2.gz VUYAWUJHTIOOEQ-HNNXBMFYSA-N 1 1 342.664 3.889 20 30 EHEDMO N#Cc1ccc(NC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1Cl ZINC001197130933 1135648214 /nfs/dbraw/zinc/64/82/14/1135648214.db2.gz BCQUKYZZTOXXQH-HNNXBMFYSA-N 1 1 346.862 3.740 20 30 EHEDMO Cc1ccc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)cc1C#N ZINC001197728644 1135731494 /nfs/dbraw/zinc/73/14/94/1135731494.db2.gz NQJDOKNTSYDRFV-QGZVFWFLSA-N 1 1 343.471 3.602 20 30 EHEDMO CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000747532279 1135751383 /nfs/dbraw/zinc/75/13/83/1135751383.db2.gz VWAIUDDESAHNAF-YJBOKZPZSA-N 1 1 327.472 3.671 20 30 EHEDMO CCCCCCCNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001131505392 1135760634 /nfs/dbraw/zinc/76/06/34/1135760634.db2.gz MCZPYHXXZDEHEQ-QZTJIDSGSA-N 1 1 346.515 3.996 20 30 EHEDMO N#Cc1cnc(N2CC[N@H+]3CC[C@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001158434083 1135830926 /nfs/dbraw/zinc/83/09/26/1135830926.db2.gz RGWIKVRCVOVPRX-INIZCTEOSA-N 1 1 346.459 3.729 20 30 EHEDMO C#CC[NH+]1CCC(c2nc([C@@H](c3cccc(C)c3)C(C)C)no2)CC1 ZINC000809510502 1135846954 /nfs/dbraw/zinc/84/69/54/1135846954.db2.gz CTZCAOKIUDBSNE-LJQANCHMSA-N 1 1 337.467 3.979 20 30 EHEDMO C=C(Br)C[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000775931257 1135878302 /nfs/dbraw/zinc/87/83/02/1135878302.db2.gz WCQWITSPZKTYEO-AWEZNQCLSA-N 1 1 334.261 3.657 20 30 EHEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC000809770910 1135881264 /nfs/dbraw/zinc/88/12/64/1135881264.db2.gz IICBBRXJVVBSSN-YJBOKZPZSA-N 1 1 346.471 3.739 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000809750525 1135885381 /nfs/dbraw/zinc/88/53/81/1135885381.db2.gz ZFXWZUZSXRIQPL-NVXWUHKLSA-N 1 1 344.455 3.531 20 30 EHEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(Br)nc1 ZINC000810226120 1135940691 /nfs/dbraw/zinc/94/06/91/1135940691.db2.gz AWQVHMCHNBXOOU-JTQLQIEISA-N 1 1 334.192 3.706 20 30 EHEDMO C=CCc1cc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000105478108 1135948468 /nfs/dbraw/zinc/94/84/68/1135948468.db2.gz UILRXFHIJMTILM-UHFFFAOYSA-N 1 1 348.424 3.692 20 30 EHEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)c2ccc(C)[nH]c2=O)CC[C@H]1C ZINC001132321347 1135974671 /nfs/dbraw/zinc/97/46/71/1135974671.db2.gz GSXZGMAOBSVWMB-SJORKVTESA-N 1 1 347.503 3.649 20 30 EHEDMO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1C[C@@H](C)CCC=C(C)C ZINC001201490883 1136027902 /nfs/dbraw/zinc/02/79/02/1136027902.db2.gz PKTAQLPTAUHYDZ-HKUYNNGSSA-N 1 1 331.504 3.904 20 30 EHEDMO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](CC(CC)CC)CC2 ZINC001201526207 1136038377 /nfs/dbraw/zinc/03/83/77/1136038377.db2.gz SOXFLYXNMNUKAL-UHFFFAOYSA-N 1 1 331.504 3.790 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CCc1ccccc1)[C@@H]2CC ZINC001201597069 1136039522 /nfs/dbraw/zinc/03/95/22/1136039522.db2.gz SAYYNDWGSOGSHC-CTNGQTDRSA-N 1 1 326.484 3.651 20 30 EHEDMO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](CCCCCC)CC2 ZINC001201746195 1136057665 /nfs/dbraw/zinc/05/76/65/1136057665.db2.gz BBSFQJWYRGAVMR-UHFFFAOYSA-N 1 1 331.504 3.934 20 30 EHEDMO CCCCC[N@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001201735135 1136062173 /nfs/dbraw/zinc/06/21/73/1136062173.db2.gz QHHXAWQAEODWJD-NRFANRHFSA-N 1 1 341.499 3.667 20 30 EHEDMO CCCCCCCC[N@H+]1CC[C@@]2(C1)C(=O)NC[C@H]2c1ccccc1 ZINC001201814327 1136064888 /nfs/dbraw/zinc/06/48/88/1136064888.db2.gz NUESMGYJQNCEDW-FPOVZHCZSA-N 1 1 328.500 3.953 20 30 EHEDMO C#C[C@H]([NH2+]Cc1cc(OC)c2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000811517098 1136097690 /nfs/dbraw/zinc/09/76/90/1136097690.db2.gz HYMFSCXVOCGMLS-INIZCTEOSA-N 1 1 343.810 3.584 20 30 EHEDMO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](CC1CCCC1)CC2 ZINC001202139108 1136099133 /nfs/dbraw/zinc/09/91/33/1136099133.db2.gz MZFVXBRFIWJLTF-UHFFFAOYSA-N 1 1 329.488 3.544 20 30 EHEDMO CC(C)(C)c1ccc2[nH]cc(C=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)c2c1 ZINC000811645414 1136115911 /nfs/dbraw/zinc/11/59/11/1136115911.db2.gz LIQXHYOFKZHPTF-QZTJIDSGSA-N 1 1 337.471 3.659 20 30 EHEDMO C#CCOc1ccccc1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000850137008 1136213724 /nfs/dbraw/zinc/21/37/24/1136213724.db2.gz IDWSCNYDIAZMER-UHFFFAOYSA-N 1 1 325.383 3.669 20 30 EHEDMO CC(C)CN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000812884725 1136265415 /nfs/dbraw/zinc/26/54/15/1136265415.db2.gz YQDIOCYXLYSXHZ-FQEVSTJZSA-N 1 1 345.462 3.760 20 30 EHEDMO C#C[C@@H]1CCCC[C@H]1OC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000851535821 1136388360 /nfs/dbraw/zinc/38/83/60/1136388360.db2.gz BNZFCNJWIGWHPQ-IUODEOHRSA-N 1 1 345.349 3.554 20 30 EHEDMO C#C[C@@](C)(CC)[NH2+]Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000852098489 1136432983 /nfs/dbraw/zinc/43/29/83/1136432983.db2.gz ONCPLULNVWOWAZ-SFHVURJKSA-N 1 1 330.453 3.719 20 30 EHEDMO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000852318761 1136447904 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EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000852687029 1136477839 /nfs/dbraw/zinc/47/78/39/1136477839.db2.gz FDHSAJALZKRYSU-DVOMOZLQSA-N 1 1 340.236 3.805 20 30 EHEDMO CCOc1ccc(N[NH+]=Cc2c(C)nn(-c3ccccc3)c2N)cc1 ZINC000814984793 1136535167 /nfs/dbraw/zinc/53/51/67/1136535167.db2.gz IORHDGDMAMNTHX-UHFFFAOYSA-N 1 1 335.411 3.608 20 30 EHEDMO C=CCC(F)(F)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000815019598 1136538413 /nfs/dbraw/zinc/53/84/13/1136538413.db2.gz JZMSKTCSFZRKCT-OAHLLOKOSA-N 1 1 336.426 3.746 20 30 EHEDMO C=CCC(F)(F)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000815024845 1136538703 /nfs/dbraw/zinc/53/87/03/1136538703.db2.gz AWEFYYKSPRWNFA-OAHLLOKOSA-N 1 1 336.426 3.889 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000776798175 1136675007 /nfs/dbraw/zinc/67/50/07/1136675007.db2.gz HIAZMFVGCNQFFN-RDJZCZTQSA-N 1 1 343.471 3.602 20 30 EHEDMO C=C(C)[C@H](CC(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)OCC ZINC000816454262 1136717387 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Cc1ccc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)cc1C#N ZINC000859204403 1137007595 /nfs/dbraw/zinc/00/75/95/1137007595.db2.gz HIIPWOQTTJXPPD-RDJZCZTQSA-N 1 1 343.471 3.602 20 30 EHEDMO C[C@H](C#N)OCC[N@@H+](Cc1ccc(Br)cc1)C(C)(C)C ZINC000859437823 1137014845 /nfs/dbraw/zinc/01/48/45/1137014845.db2.gz FVYSBBONUGMEBL-CYBMUJFWSA-N 1 1 339.277 3.978 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCCC(F)(F)CC2)cc1 ZINC000859534800 1137018858 /nfs/dbraw/zinc/01/88/58/1137018858.db2.gz FYRSQWFGRQRNKD-INIZCTEOSA-N 1 1 349.425 3.751 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCCC(F)(F)CC2)cc1 ZINC000859534800 1137018860 /nfs/dbraw/zinc/01/88/60/1137018860.db2.gz FYRSQWFGRQRNKD-INIZCTEOSA-N 1 1 349.425 3.751 20 30 EHEDMO N#Cc1c[nH]c2cc[nH+]c(NCc3cc(Br)ccc3O)c12 ZINC001160019409 1137054357 /nfs/dbraw/zinc/05/43/57/1137054357.db2.gz IDNIPGWXBTVUQX-UHFFFAOYSA-N 1 1 343.184 3.515 20 30 EHEDMO COC(=O)c1ccc(C(=[NH2+])Nc2cc(C)c(C)cc2OC(C)C)cc1 ZINC001170988647 1137062887 /nfs/dbraw/zinc/06/28/87/1137062887.db2.gz DROIYKSSZOSSGT-UHFFFAOYSA-N 1 1 340.423 3.914 20 30 EHEDMO Cc1ccc(Br)cc1-c1noc([C@H]([NH3+])CCCC#N)n1 ZINC000823189872 1137089305 /nfs/dbraw/zinc/08/93/05/1137089305.db2.gz UDJNTAUCLYPBCA-GFCCVEGCSA-N 1 1 335.205 3.501 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000823616807 1137106659 /nfs/dbraw/zinc/10/66/59/1137106659.db2.gz BYZLHEYMSTUBOO-UWJYYQICSA-N 1 1 347.462 3.742 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000824696961 1137147051 /nfs/dbraw/zinc/14/70/51/1137147051.db2.gz VWUCYUQINIEUNO-NJYVYQBISA-N 1 1 341.499 3.552 20 30 EHEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@@H]3C[C@@H](O)c3ccco3)cc2)CC1 ZINC000824928664 1137157879 /nfs/dbraw/zinc/15/78/79/1137157879.db2.gz YAWKGTHQTKZIMD-RTBURBONSA-N 1 1 336.435 3.923 20 30 EHEDMO CC(C)(C)OC(=O)Nc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ccn1 ZINC001143693415 1137189637 /nfs/dbraw/zinc/18/96/37/1137189637.db2.gz MUKDWMHGSGCBMJ-CQSZACIVSA-N 1 1 330.432 3.554 20 30 EHEDMO C[N@H+]1CCN(Cc2c(Cl)cccc2C#N)[C@@H](c2ccccc2)C1 ZINC001143716153 1137191495 /nfs/dbraw/zinc/19/14/95/1137191495.db2.gz FAUWMVNJVBCAIM-LJQANCHMSA-N 1 1 325.843 3.700 20 30 EHEDMO CCOC(=O)C[C@@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)C[C@H]1C ZINC001143734101 1137193144 /nfs/dbraw/zinc/19/31/44/1137193144.db2.gz BCLXHQPFLUZEJQ-KGLIPLIRSA-N 1 1 334.847 3.623 20 30 EHEDMO CCOC(=O)C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)C[C@H]1C ZINC001143734101 1137193146 /nfs/dbraw/zinc/19/31/46/1137193146.db2.gz BCLXHQPFLUZEJQ-KGLIPLIRSA-N 1 1 334.847 3.623 20 30 EHEDMO C[C@H]1CN(Cc2c(Cl)cccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC001143731235 1137194507 /nfs/dbraw/zinc/19/45/07/1137194507.db2.gz PHMHYSYGKRWQGT-INIZCTEOSA-N 1 1 339.870 3.918 20 30 EHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC(F)(F)F)cc1F ZINC001143791200 1137199985 /nfs/dbraw/zinc/19/99/85/1137199985.db2.gz GBWKCUREJYLBRU-UOJUARBOSA-N 1 1 328.309 3.991 20 30 EHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC(F)(F)F)cc1F ZINC001143791200 1137199987 /nfs/dbraw/zinc/19/99/87/1137199987.db2.gz GBWKCUREJYLBRU-UOJUARBOSA-N 1 1 328.309 3.991 20 30 EHEDMO CC[C@@H](OCC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000844370104 1137212879 /nfs/dbraw/zinc/21/28/79/1137212879.db2.gz WEXWEACQXMHGIJ-LEWJYISDSA-N 1 1 338.451 3.691 20 30 EHEDMO C[C@@H](C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000844370769 1137213278 /nfs/dbraw/zinc/21/32/78/1137213278.db2.gz JIEYKSVZWVUVJP-IFXJQAMLSA-N 1 1 328.843 3.981 20 30 EHEDMO C[N@@H+](CCCc1ccc(Cl)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC000844371186 1137213335 /nfs/dbraw/zinc/21/33/35/1137213335.db2.gz WMKIPJSUDZOPGH-IBGZPJMESA-N 1 1 328.843 3.810 20 30 EHEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H]2NC(=O)c3ccccc32)cc1 ZINC001171129932 1137231151 /nfs/dbraw/zinc/23/11/51/1137231151.db2.gz NRWZCVIHEUQFFP-UXHICEINSA-N 1 1 333.435 3.864 20 30 EHEDMO C[C@@H](c1cccc(Br)c1)[N@@H+](C)Cc1cncc(C#N)c1 ZINC001144086385 1137235863 /nfs/dbraw/zinc/23/58/63/1137235863.db2.gz QKJVSFHOIUUQNB-LBPRGKRZSA-N 1 1 330.229 3.909 20 30 EHEDMO C#CCCC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000794809499 1137261508 /nfs/dbraw/zinc/26/15/08/1137261508.db2.gz XNGKDOGPULOVOE-HSZRJFAPSA-N 1 1 347.506 3.962 20 30 EHEDMO C#CCCCN(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000794809499 1137261510 /nfs/dbraw/zinc/26/15/10/1137261510.db2.gz XNGKDOGPULOVOE-HSZRJFAPSA-N 1 1 347.506 3.962 20 30 EHEDMO C#CCCCN(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000794809499 1137261512 /nfs/dbraw/zinc/26/15/12/1137261512.db2.gz XNGKDOGPULOVOE-HSZRJFAPSA-N 1 1 347.506 3.962 20 30 EHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1cccc(CC)c1)C2 ZINC001144318599 1137273810 /nfs/dbraw/zinc/27/38/10/1137273810.db2.gz FLLIXHIYDXYHMH-OAQYLSRUSA-N 1 1 326.484 3.782 20 30 EHEDMO CCOc1ccc(/C=N/C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000794835849 1137275608 /nfs/dbraw/zinc/27/56/08/1137275608.db2.gz ZDOADFFBINZQNX-SDLXJUDFSA-N 1 1 338.451 3.732 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001171179316 1137290778 /nfs/dbraw/zinc/29/07/78/1137290778.db2.gz RINGHIFXGGNKOR-AVRDEDQJSA-N 1 1 333.479 3.601 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC001171204214 1137324757 /nfs/dbraw/zinc/32/47/57/1137324757.db2.gz UMLKICCCQQEMLC-UWJYYQICSA-N 1 1 348.446 3.697 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC001171204214 1137324759 /nfs/dbraw/zinc/32/47/59/1137324759.db2.gz UMLKICCCQQEMLC-UWJYYQICSA-N 1 1 348.446 3.697 20 30 EHEDMO C[N@H+](Cc1ccc(C(F)(F)F)s1)C[C@H](O)c1cccc(C#N)c1 ZINC000846006212 1137325389 /nfs/dbraw/zinc/32/53/89/1137325389.db2.gz HKRAGSKSLKNHHO-AWEZNQCLSA-N 1 1 340.370 3.804 20 30 EHEDMO C[N@@H+](CCCCCOc1ccccc1)C[C@H](O)c1cccc(C#N)c1 ZINC000846008828 1137325396 /nfs/dbraw/zinc/32/53/96/1137325396.db2.gz YDZCBJQHQZTQKX-NRFANRHFSA-N 1 1 338.451 3.773 20 30 EHEDMO COc1ccc(CC[N@@H+](C)[C@H](C)Cc2cccc(C#N)c2)cc1OC ZINC001171204533 1137325780 /nfs/dbraw/zinc/32/57/80/1137325780.db2.gz YPXCCKAAVNWSSB-MRXNPFEDSA-N 1 1 338.451 3.681 20 30 EHEDMO C[N@@H+]1Cc2ccccc2[C@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000866193258 1137334632 /nfs/dbraw/zinc/33/46/32/1137334632.db2.gz BXUAKWDTJWOMAM-CQSZACIVSA-N 1 1 332.329 3.571 20 30 EHEDMO C[N@H+]1Cc2ccccc2[C@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000866193258 1137334633 /nfs/dbraw/zinc/33/46/33/1137334633.db2.gz BXUAKWDTJWOMAM-CQSZACIVSA-N 1 1 332.329 3.571 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001171221117 1137346842 /nfs/dbraw/zinc/34/68/42/1137346842.db2.gz IJCOSICWOWWARK-NQIIRXRSSA-N 1 1 325.500 3.830 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001171229707 1137353974 /nfs/dbraw/zinc/35/39/74/1137353974.db2.gz QGYGVFCTZPWNID-QGZVFWFLSA-N 1 1 342.446 3.733 20 30 EHEDMO Cc1cc(C#N)ccc1NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000846748401 1137364373 /nfs/dbraw/zinc/36/43/73/1137364373.db2.gz OUHBUCZVGXIBNM-QGZVFWFLSA-N 1 1 335.451 3.700 20 30 EHEDMO Cc1cc(C#N)ccc1NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000846748401 1137364375 /nfs/dbraw/zinc/36/43/75/1137364375.db2.gz OUHBUCZVGXIBNM-QGZVFWFLSA-N 1 1 335.451 3.700 20 30 EHEDMO C#CC[NH+]1CCC(C(=O)Oc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000122279703 1137420801 /nfs/dbraw/zinc/42/08/01/1137420801.db2.gz QHIQVROEEYGERY-UHFFFAOYSA-N 1 1 346.641 3.897 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H]1CCc3c(F)cccc3C1)C2 ZINC001171434548 1137481884 /nfs/dbraw/zinc/48/18/84/1137481884.db2.gz TZWJPUKSBJGMAI-LQWHRVPQSA-N 1 1 345.458 3.509 20 30 EHEDMO C[C@@]1(Cc2cccc(F)c2)CCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001171435727 1137482766 /nfs/dbraw/zinc/48/27/66/1137482766.db2.gz NNFDRBXVMVNFIT-RTWAWAEBSA-N 1 1 338.426 3.828 20 30 EHEDMO N#Cc1ccc2c(c1)CC[N@H+]([C@@H]1CCc3cc(F)c(F)c(F)c3C1)C2 ZINC001171534353 1137493908 /nfs/dbraw/zinc/49/39/08/1137493908.db2.gz VAFGLTLKHFLYCA-MRXNPFEDSA-N 1 1 342.364 3.891 20 30 EHEDMO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC001171573602 1137498886 /nfs/dbraw/zinc/49/88/86/1137498886.db2.gz RZQJIBGUSCDOJL-KRWDZBQOSA-N 1 1 334.419 3.763 20 30 EHEDMO C#C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC001171573602 1137498887 /nfs/dbraw/zinc/49/88/87/1137498887.db2.gz RZQJIBGUSCDOJL-KRWDZBQOSA-N 1 1 334.419 3.763 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@@H](C#N)C2)CC12CCCCC2 ZINC001172059813 1137528765 /nfs/dbraw/zinc/52/87/65/1137528765.db2.gz VVWNQYXRKNLTTA-IRXDYDNUSA-N 1 1 347.503 3.934 20 30 EHEDMO N#Cc1ccc(Cl)c(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000888574522 1137542291 /nfs/dbraw/zinc/54/22/91/1137542291.db2.gz GAFMGSKANHZGAL-UHFFFAOYSA-N 1 1 340.814 3.849 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001172310865 1137546081 /nfs/dbraw/zinc/54/60/81/1137546081.db2.gz KIIJNADUFIDIOC-OALUTQOASA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001172310865 1137546082 /nfs/dbraw/zinc/54/60/82/1137546082.db2.gz KIIJNADUFIDIOC-OALUTQOASA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001172310865 1137546083 /nfs/dbraw/zinc/54/60/83/1137546083.db2.gz KIIJNADUFIDIOC-OALUTQOASA-N 1 1 333.479 3.696 20 30 EHEDMO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC001172315750 1137546691 /nfs/dbraw/zinc/54/66/91/1137546691.db2.gz KROUPKMNNZXEGD-NDXORKPFSA-N 1 1 348.446 3.725 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC001172289570 1137548072 /nfs/dbraw/zinc/54/80/72/1137548072.db2.gz FMUQIQFFDMRVSX-XMSQKQJNSA-N 1 1 333.479 3.601 20 30 EHEDMO CCCCCCC[C@H](CC)[N@H+]1CCO[C@]2(CCCN(C(C)=O)C2)C1 ZINC001172355061 1137554295 /nfs/dbraw/zinc/55/42/95/1137554295.db2.gz MEQGHOLHNVPINV-PMACEKPBSA-N 1 1 338.536 3.839 20 30 EHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C2(c3ccc(C)cc3)CCOCC2)no1 ZINC000872181942 1137575518 /nfs/dbraw/zinc/57/55/18/1137575518.db2.gz BZTIHIXVYLXRJI-HNNXBMFYSA-N 1 1 347.846 3.617 20 30 EHEDMO C[N@H+]1CC[C@H](CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 ZINC000874006373 1137609031 /nfs/dbraw/zinc/60/90/31/1137609031.db2.gz LLQYJCRLGJBPLR-OXQOHEQNSA-N 1 1 333.435 3.622 20 30 EHEDMO C[N@H+](Cc1cc(C#N)cnc1Cl)[C@@H]1CCCN(c2ccccc2)C1 ZINC000876750597 1137660409 /nfs/dbraw/zinc/66/04/09/1137660409.db2.gz WZQQNEXAXABMSJ-GOSISDBHSA-N 1 1 340.858 3.707 20 30 EHEDMO C[N@@H+](Cc1cc(C#N)cnc1Cl)[C@@H]1CCCN(c2ccccc2)C1 ZINC000876750597 1137660410 /nfs/dbraw/zinc/66/04/10/1137660410.db2.gz WZQQNEXAXABMSJ-GOSISDBHSA-N 1 1 340.858 3.707 20 30 EHEDMO CC[NH+](CC)[C@@H](CNCc1cc(C#N)cnc1Cl)c1ccsc1 ZINC000876931630 1137665582 /nfs/dbraw/zinc/66/55/82/1137665582.db2.gz ZXUCJMRAGPZVFG-INIZCTEOSA-N 1 1 348.903 3.841 20 30 EHEDMO COc1cc(C)c([C@@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)cc1OC ZINC000876930919 1137665668 /nfs/dbraw/zinc/66/56/68/1137665668.db2.gz HBXKVFOXGDJNCK-GFCCVEGCSA-N 1 1 345.830 3.783 20 30 EHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000876976328 1137666896 /nfs/dbraw/zinc/66/68/96/1137666896.db2.gz ONMSJJYONRGMGS-SJORKVTESA-N 1 1 327.815 3.617 20 30 EHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000876976327 1137666901 /nfs/dbraw/zinc/66/69/01/1137666901.db2.gz ONMSJJYONRGMGS-IRXDYDNUSA-N 1 1 327.815 3.617 20 30 EHEDMO C#C[C@H]([NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(Cl)cc1 ZINC000825948411 1137673288 /nfs/dbraw/zinc/67/32/88/1137673288.db2.gz BDPPFGSUWXWVJP-UXHICEINSA-N 1 1 341.838 3.972 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)cc1F ZINC000877736100 1137687315 /nfs/dbraw/zinc/68/73/15/1137687315.db2.gz KAORXUVXGQTXLT-UHFFFAOYSA-N 1 1 340.402 3.727 20 30 EHEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)CC[C@@](C#N)(C(C)=O)c2ccccc2)C1(C)C ZINC000878152069 1137704582 /nfs/dbraw/zinc/70/45/82/1137704582.db2.gz FTYRUPJPRBLERN-HMXCVIKNSA-N 1 1 342.483 3.562 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)c1ccc(C#N)cc1 ZINC000126957097 1137705800 /nfs/dbraw/zinc/70/58/00/1137705800.db2.gz KCGKSUMDVRKKRM-INIZCTEOSA-N 1 1 332.856 3.995 20 30 EHEDMO N#CCC1(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)CC1 ZINC000878185641 1137706345 /nfs/dbraw/zinc/70/63/45/1137706345.db2.gz LRFKXHNNBATLNE-SFHVURJKSA-N 1 1 326.465 3.978 20 30 EHEDMO Cc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000878488900 1137717718 /nfs/dbraw/zinc/71/77/18/1137717718.db2.gz LKZIFPJRBFCHJM-KRWDZBQOSA-N 1 1 348.450 3.777 20 30 EHEDMO CC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000878625572 1137722795 /nfs/dbraw/zinc/72/27/95/1137722795.db2.gz XNBAGNVZZXSVGS-CTNGQTDRSA-N 1 1 342.483 3.707 20 30 EHEDMO C[C@@H](CCC#N)[N@@H+]1CCOc2cc(NC(=O)OC(C)(C)C)ccc2C1 ZINC000879404700 1137746857 /nfs/dbraw/zinc/74/68/57/1137746857.db2.gz RZBNYCIJDFTTRO-AWEZNQCLSA-N 1 1 345.443 3.920 20 30 EHEDMO C[C@@H](CCC#N)[N@H+]1CCOc2cc(NC(=O)OC(C)(C)C)ccc2C1 ZINC000879404700 1137746858 /nfs/dbraw/zinc/74/68/58/1137746858.db2.gz RZBNYCIJDFTTRO-AWEZNQCLSA-N 1 1 345.443 3.920 20 30 EHEDMO C[N@H+](CCc1cccc(C#N)c1)Cc1nc(C(F)(F)F)cs1 ZINC000879432485 1137747545 /nfs/dbraw/zinc/74/75/45/1137747545.db2.gz BAOXLOWLKUGHOQ-UHFFFAOYSA-N 1 1 325.359 3.708 20 30 EHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1nc(C(F)(F)F)cs1 ZINC000879432485 1137747546 /nfs/dbraw/zinc/74/75/46/1137747546.db2.gz BAOXLOWLKUGHOQ-UHFFFAOYSA-N 1 1 325.359 3.708 20 30 EHEDMO N#Cc1cnccc1C[N@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880274922 1137772615 /nfs/dbraw/zinc/77/26/15/1137772615.db2.gz ACPCBRWENDOHQO-SFHVURJKSA-N 1 1 343.434 3.723 20 30 EHEDMO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cc(C)cs3)C2)C1 ZINC001137152491 1137776255 /nfs/dbraw/zinc/77/62/55/1137776255.db2.gz QIBAVRUBPCPEJM-SFHVURJKSA-N 1 1 334.485 3.667 20 30 EHEDMO C=CCCC[C@@H]([NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)c1ccccc1 ZINC000880390428 1137777702 /nfs/dbraw/zinc/77/77/02/1137777702.db2.gz RARBWLGBHSZQCQ-FXAWDEMLSA-N 1 1 340.471 3.502 20 30 EHEDMO N#CCOc1ccc(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)cc1 ZINC000880576259 1137781693 /nfs/dbraw/zinc/78/16/93/1137781693.db2.gz UPKWMTWWMLATPR-IBGZPJMESA-N 1 1 328.456 3.618 20 30 EHEDMO C=CCC(C)(C)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000882396916 1137826344 /nfs/dbraw/zinc/82/63/44/1137826344.db2.gz NBJYREDGOODGSK-SFHVURJKSA-N 1 1 327.472 3.512 20 30 EHEDMO C=CCC[C@@H](Cc1ccccc1)[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000883191262 1137847855 /nfs/dbraw/zinc/84/78/55/1137847855.db2.gz XYXGZYFYMQFTDG-IRLDBZIGSA-N 1 1 342.527 3.654 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000108355991 1137889298 /nfs/dbraw/zinc/88/92/98/1137889298.db2.gz YHDWIEBGHCXNQK-CABCVRRESA-N 1 1 331.485 3.894 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000108355991 1137889299 /nfs/dbraw/zinc/88/92/99/1137889299.db2.gz YHDWIEBGHCXNQK-CABCVRRESA-N 1 1 331.485 3.894 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000108364016 1137889365 /nfs/dbraw/zinc/88/93/65/1137889365.db2.gz ORZIPKKLIRPZHF-AWEZNQCLSA-N 1 1 333.501 3.997 20 30 EHEDMO Cc1ccc(C[C@@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C#N)cc1 ZINC000113264298 1137912367 /nfs/dbraw/zinc/91/23/67/1137912367.db2.gz IAIJERMHCFWOHE-KRWDZBQOSA-N 1 1 339.464 3.574 20 30 EHEDMO Cc1ccc(C[C@@H]2CCC[N@H+]2CC(=O)Nc2sccc2C#N)cc1 ZINC000113264298 1137912368 /nfs/dbraw/zinc/91/23/68/1137912368.db2.gz IAIJERMHCFWOHE-KRWDZBQOSA-N 1 1 339.464 3.574 20 30 EHEDMO C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000331744754 1137919021 /nfs/dbraw/zinc/91/90/21/1137919021.db2.gz XDPOMTMOSDRWJJ-BEFAXECRSA-N 1 1 325.456 3.533 20 30 EHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(Br)cc1N ZINC000162025295 1137924401 /nfs/dbraw/zinc/92/44/01/1137924401.db2.gz GUYVWRMKFMEESG-UHFFFAOYSA-N 1 1 330.229 3.535 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000118394053 1137933557 /nfs/dbraw/zinc/93/35/57/1137933557.db2.gz NTCQQYZSUJXSDP-OAHLLOKOSA-N 1 1 339.464 3.529 20 30 EHEDMO COc1cc(C)c(C[N@H+](C)Cc2cc(C#N)ccc2F)cc1OC ZINC000024804283 1137966498 /nfs/dbraw/zinc/96/64/98/1137966498.db2.gz WLSTVCLFCYGWLV-UHFFFAOYSA-N 1 1 328.387 3.655 20 30 EHEDMO COc1cc(C)c(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1OC ZINC000024804283 1137966500 /nfs/dbraw/zinc/96/65/00/1137966500.db2.gz WLSTVCLFCYGWLV-UHFFFAOYSA-N 1 1 328.387 3.655 20 30 EHEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000885999475 1138031125 /nfs/dbraw/zinc/03/11/25/1138031125.db2.gz JBSCNYCSHPRIOQ-AEFFLSMTSA-N 1 1 328.456 3.667 20 30 EHEDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886046255 1138034740 /nfs/dbraw/zinc/03/47/40/1138034740.db2.gz DJKARWBXKSSVLQ-UONOGXRCSA-N 1 1 329.469 3.734 20 30 EHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCCC[C@H]2c2ccc(F)cc2F)CCC1 ZINC000886075986 1138038349 /nfs/dbraw/zinc/03/83/49/1138038349.db2.gz JFGOWALVRVQUBZ-QAPCUYQASA-N 1 1 334.410 3.937 20 30 EHEDMO N#CC1(C[C@H](O)C[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)CCC1 ZINC000886077309 1138038362 /nfs/dbraw/zinc/03/83/62/1138038362.db2.gz YCEXVGMFUOZLHC-DOTOQJQBSA-N 1 1 339.439 3.800 20 30 EHEDMO CSc1ccc(C[NH2+]Cc2c(Cl)nc(Cl)n2C)cc1C#N ZINC000886278680 1138063789 /nfs/dbraw/zinc/06/37/89/1138063789.db2.gz GMGKSWYOGCPELX-UHFFFAOYSA-N 1 1 341.267 3.610 20 30 EHEDMO N#CC1(C[C@H](O)C[N@@H+]2CCc3c(cccc3C(F)(F)F)C2)CCC1 ZINC000886299262 1138065626 /nfs/dbraw/zinc/06/56/26/1138065626.db2.gz UOIRPCUVVANHKR-AWEZNQCLSA-N 1 1 338.373 3.508 20 30 EHEDMO N#CC1(C[C@H](O)C[N@H+]2CCc3c(cccc3C(F)(F)F)C2)CCC1 ZINC000886299262 1138065627 /nfs/dbraw/zinc/06/56/27/1138065627.db2.gz UOIRPCUVVANHKR-AWEZNQCLSA-N 1 1 338.373 3.508 20 30 EHEDMO COc1ccccc1[C@@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886310012 1138066466 /nfs/dbraw/zinc/06/64/66/1138066466.db2.gz BBBZDKLBHDHHFK-QZTJIDSGSA-N 1 1 342.483 3.710 20 30 EHEDMO N#CCSCCC[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000072515767 1138104940 /nfs/dbraw/zinc/10/49/40/1138104940.db2.gz AQQNDLLIQIEGOM-UHFFFAOYSA-N 1 1 343.471 3.912 20 30 EHEDMO CC[C@@]1(C)CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000072803018 1138107941 /nfs/dbraw/zinc/10/79/41/1138107941.db2.gz HRIWGICUIJSLGN-SFHVURJKSA-N 1 1 331.485 3.753 20 30 EHEDMO CC[C@@]1(C)CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000072803018 1138107944 /nfs/dbraw/zinc/10/79/44/1138107944.db2.gz HRIWGICUIJSLGN-SFHVURJKSA-N 1 1 331.485 3.753 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](COCC)C1 ZINC000072975342 1138109580 /nfs/dbraw/zinc/10/95/80/1138109580.db2.gz FOMIUMFSULJPFN-MRXNPFEDSA-N 1 1 348.512 3.652 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](COCC)C1 ZINC000072975342 1138109581 /nfs/dbraw/zinc/10/95/81/1138109581.db2.gz FOMIUMFSULJPFN-MRXNPFEDSA-N 1 1 348.512 3.652 20 30 EHEDMO C=CCSc1nnc([C@H](CC)[NH+](C)C)n1-c1ccc(OC)cc1 ZINC000078249377 1138147633 /nfs/dbraw/zinc/14/76/33/1138147633.db2.gz VKCQPQUTZQNVAC-HNNXBMFYSA-N 1 1 332.473 3.567 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cnccc1Cl)[C@@H]2CC ZINC001137232361 1138182161 /nfs/dbraw/zinc/18/21/61/1138182161.db2.gz NAZMISWCBTUBQO-MJGOQNOKSA-N 1 1 347.890 3.657 20 30 EHEDMO N#CCCCC[N@H+]1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21 ZINC000887143855 1138221895 /nfs/dbraw/zinc/22/18/95/1138221895.db2.gz RIFTVNFQGRHCAI-FHWLQOOXSA-N 1 1 326.440 3.667 20 30 EHEDMO CC(C)(CCC#N)C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000092453307 1138228171 /nfs/dbraw/zinc/22/81/71/1138228171.db2.gz UVJHIRKGITVGBD-UHFFFAOYSA-N 1 1 347.890 3.818 20 30 EHEDMO C[N@@H+](CC(C)(C)CCC#N)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000093360031 1138236688 /nfs/dbraw/zinc/23/66/88/1138236688.db2.gz XEJIYNAKVCTZOW-MRXNPFEDSA-N 1 1 333.863 3.707 20 30 EHEDMO COc1cc(OC)c(OC)cc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000130482179 1138457666 /nfs/dbraw/zinc/45/76/66/1138457666.db2.gz UPFJKKICHSLLMI-QGZVFWFLSA-N 1 1 340.423 3.847 20 30 EHEDMO CCC[N@@H+](CCC(C)(C)C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000131850689 1138546468 /nfs/dbraw/zinc/54/64/68/1138546468.db2.gz RODVIKYGCHJDBX-UHFFFAOYSA-N 1 1 341.499 3.943 20 30 EHEDMO Cc1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c(C)s1 ZINC000337672332 1138640112 /nfs/dbraw/zinc/64/01/12/1138640112.db2.gz DNMXYISTTIJIMS-UHFFFAOYSA-N 1 1 329.444 3.698 20 30 EHEDMO C=CCC[C@H](NC(=O)NC[C@@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000337807822 1138673340 /nfs/dbraw/zinc/67/33/40/1138673340.db2.gz MAEXVKMVZJZXQQ-HKUYNNGSSA-N 1 1 329.488 3.725 20 30 EHEDMO CC1=C(c2ccco2)C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000338340338 1138841062 /nfs/dbraw/zinc/84/10/62/1138841062.db2.gz ALHHDOQEIVQECX-UHFFFAOYSA-N 1 1 335.407 3.659 20 30 EHEDMO CC1=C(c2ccco2)C[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000338345031 1138843742 /nfs/dbraw/zinc/84/37/42/1138843742.db2.gz PWZDIORTXLKSAW-HNNXBMFYSA-N 1 1 335.407 3.658 20 30 EHEDMO CC1=C(c2ccco2)C[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000338345031 1138843747 /nfs/dbraw/zinc/84/37/47/1138843747.db2.gz PWZDIORTXLKSAW-HNNXBMFYSA-N 1 1 335.407 3.658 20 30 EHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000152154240 1139076758 /nfs/dbraw/zinc/07/67/58/1139076758.db2.gz KRHAPNCRYKJZQU-MRXNPFEDSA-N 1 1 340.858 3.567 20 30 EHEDMO C[C@H](CC#N)NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000153681172 1139147762 /nfs/dbraw/zinc/14/77/62/1139147762.db2.gz JJFPKTKQIORMFL-OAHLLOKOSA-N 1 1 328.460 3.875 20 30 EHEDMO C=C1CCC(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000890516698 1139368621 /nfs/dbraw/zinc/36/86/21/1139368621.db2.gz LFSBTFGDWCALBG-QFIPXVFZSA-N 1 1 338.495 3.857 20 30 EHEDMO N#Cc1ccc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000176958879 1139589776 /nfs/dbraw/zinc/58/97/76/1139589776.db2.gz GEMGLDVKTCCVKY-CQSZACIVSA-N 1 1 331.510 3.683 20 30 EHEDMO N#Cc1ccc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000176958879 1139589781 /nfs/dbraw/zinc/58/97/81/1139589781.db2.gz GEMGLDVKTCCVKY-CQSZACIVSA-N 1 1 331.510 3.683 20 30 EHEDMO C=C[C@@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000179450538 1139758306 /nfs/dbraw/zinc/75/83/06/1139758306.db2.gz LROSLNJCPGAWTB-FBBABVLZSA-N 1 1 338.495 3.822 20 30 EHEDMO CC[N@H+](Cc1nc(N)c2ccccc2n1)[C@H](C)c1ccc(C#N)cc1 ZINC000181136452 1139887981 /nfs/dbraw/zinc/88/79/81/1139887981.db2.gz HGZDQCRUMUKVOB-CQSZACIVSA-N 1 1 331.423 3.667 20 30 EHEDMO CC[N@@H+](Cc1nc(N)c2ccccc2n1)[C@H](C)c1ccc(C#N)cc1 ZINC000181136452 1139887988 /nfs/dbraw/zinc/88/79/88/1139887988.db2.gz HGZDQCRUMUKVOB-CQSZACIVSA-N 1 1 331.423 3.667 20 30 EHEDMO CCc1ccc([C@H](COC)[NH2+][C@H](C)c2ccc(OCC#N)cc2)o1 ZINC000181812281 1139932944 /nfs/dbraw/zinc/93/29/44/1139932944.db2.gz RKNYQJBULMRKLW-KDOFPFPSSA-N 1 1 328.412 3.783 20 30 EHEDMO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(OCC#N)cc1 ZINC000183196725 1140020170 /nfs/dbraw/zinc/02/01/70/1140020170.db2.gz ZFGYWMIQPMAYDA-ZIFCJYIRSA-N 1 1 341.499 3.893 20 30 EHEDMO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(OCC#N)cc1 ZINC000183196725 1140020176 /nfs/dbraw/zinc/02/01/76/1140020176.db2.gz ZFGYWMIQPMAYDA-ZIFCJYIRSA-N 1 1 341.499 3.893 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](C)C[C@H](C)c2nccs2)cc1OC ZINC000183258689 1140025538 /nfs/dbraw/zinc/02/55/38/1140025538.db2.gz ODMPPCBIYWPIJL-AWEZNQCLSA-N 1 1 332.469 3.952 20 30 EHEDMO C[C@@H]1C[NH+](Cc2ccccc2N[C@@H]2CCC[C@H](C#N)C2)C[C@@H](C)O1 ZINC000185739058 1140167025 /nfs/dbraw/zinc/16/70/25/1140167025.db2.gz OAYUFMTWZXKODS-VXIBKDFQSA-N 1 1 327.472 3.790 20 30 EHEDMO CC[N@H+](CC(=O)Nc1c(F)cccc1F)[C@@H](C)c1cccc(C#N)c1 ZINC000189766704 1140362384 /nfs/dbraw/zinc/36/23/84/1140362384.db2.gz YFGZBHIEMBGOLF-ZDUSSCGKSA-N 1 1 343.377 3.858 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)[C@@H](C)c1cccc(C#N)c1 ZINC000189766704 1140362390 /nfs/dbraw/zinc/36/23/90/1140362390.db2.gz YFGZBHIEMBGOLF-ZDUSSCGKSA-N 1 1 343.377 3.858 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)c1cccc(C#N)c1 ZINC000189867860 1140369592 /nfs/dbraw/zinc/36/95/92/1140369592.db2.gz OBRVSEMLVMIVHF-INIZCTEOSA-N 1 1 335.451 3.843 20 30 EHEDMO N#CCSCCC[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000191348621 1140456929 /nfs/dbraw/zinc/45/69/29/1140456929.db2.gz BPUBGPZCRXIBED-UHFFFAOYSA-N 1 1 325.481 3.773 20 30 EHEDMO CC[C@H](c1ccncc1)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192711559 1140545954 /nfs/dbraw/zinc/54/59/54/1140545954.db2.gz GURDKRDRPMFNQP-WOJBJXKFSA-N 1 1 348.450 3.532 20 30 EHEDMO CC[N@@H+](CCCCC#N)CC(=O)Nc1ccccc1C(F)(F)F ZINC000198680982 1140640037 /nfs/dbraw/zinc/64/00/37/1140640037.db2.gz IOSYXKGQHVIEDG-UHFFFAOYSA-N 1 1 327.350 3.660 20 30 EHEDMO CC(C)(C)[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000268457372 1140941876 /nfs/dbraw/zinc/94/18/76/1140941876.db2.gz CMYQOWUSRWLLAT-UHFFFAOYSA-N 1 1 327.453 3.859 20 30 EHEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000268645652 1140966539 /nfs/dbraw/zinc/96/65/39/1140966539.db2.gz FPQJYQGQCKMPBQ-IEBWSBKVSA-N 1 1 340.423 3.508 20 30 EHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(N(C)CC)nc1 ZINC000348869999 1141600152 /nfs/dbraw/zinc/60/01/52/1141600152.db2.gz RCVGEJGJNPXAGU-UHFFFAOYSA-N 1 1 341.503 3.893 20 30 EHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(N(C)CC)nc1 ZINC000348869999 1141600153 /nfs/dbraw/zinc/60/01/53/1141600153.db2.gz RCVGEJGJNPXAGU-UHFFFAOYSA-N 1 1 341.503 3.893 20 30 EHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000052243849 214123015 /nfs/dbraw/zinc/12/30/15/214123015.db2.gz ZZSQLWRRCXSLMF-UHFFFAOYSA-N 1 1 338.411 3.919 20 30 EHEDMO Cc1cccc2nc(Cl)c(C#N)c(N3C[C@H](C)[N@H+](C)C[C@H]3C)c12 ZINC001164632608 719258717 /nfs/dbraw/zinc/25/87/17/719258717.db2.gz JCQKNIBKGJLABM-QWHCGFSZSA-N 1 1 328.847 3.597 20 30 EHEDMO Cc1cccc2nc(Cl)c(C#N)c(N3C[C@@H](C)[N@H+](C)C[C@H]3C)c12 ZINC001164632602 719258725 /nfs/dbraw/zinc/25/87/25/719258725.db2.gz JCQKNIBKGJLABM-CHWSQXEVSA-N 1 1 328.847 3.597 20 30 EHEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000248618216 1032069768 /nfs/dbraw/zinc/06/97/68/1032069768.db2.gz JUWJPWGSSPBSSO-YSSFQJQWSA-N 1 1 342.483 3.692 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+]2CCOC3(CCCC3)C2)ccc1OC ZINC000536658954 1032070022 /nfs/dbraw/zinc/07/00/22/1032070022.db2.gz WWWBDGGKMMCLKZ-UHFFFAOYSA-N 1 1 331.456 3.795 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CCOC3(CCCC3)C2)ccc1OC ZINC000536658954 1032070041 /nfs/dbraw/zinc/07/00/41/1032070041.db2.gz WWWBDGGKMMCLKZ-UHFFFAOYSA-N 1 1 331.456 3.795 20 30 EHEDMO C=CCOc1cccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1 ZINC000339427338 1014405792 /nfs/dbraw/zinc/40/57/92/1014405792.db2.gz XHDUIQOSNJSRCQ-UHFFFAOYSA-N 1 1 336.435 3.515 20 30 EHEDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000430203971 1014904100 /nfs/dbraw/zinc/90/41/00/1014904100.db2.gz QCBSRAORDBGUTQ-UHFFFAOYSA-N 1 1 337.379 3.640 20 30 EHEDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000430203971 1014904114 /nfs/dbraw/zinc/90/41/14/1014904114.db2.gz QCBSRAORDBGUTQ-UHFFFAOYSA-N 1 1 337.379 3.640 20 30 EHEDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)NCc2ccc(C#N)cc2)c1C ZINC000610215056 1015003792 /nfs/dbraw/zinc/00/37/92/1015003792.db2.gz DJVRRAXIWYUYQH-OAQYLSRUSA-N 1 1 347.462 3.628 20 30 EHEDMO C=C(C)CN(CC)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000430231616 1015131818 /nfs/dbraw/zinc/13/18/18/1015131818.db2.gz COOTVUFKTCQEFK-FQEVSTJZSA-N 1 1 329.488 3.649 20 30 EHEDMO Cc1cccc([C@@H]2CCCC[N@H+]2Cc2cnc3c(C#N)cnn3c2)c1C ZINC000579838749 1015157259 /nfs/dbraw/zinc/15/72/59/1015157259.db2.gz VSZDUOUHPQLDNK-FQEVSTJZSA-N 1 1 345.450 3.945 20 30 EHEDMO CC(C)C[N@@H+](CCc1ccccc1)CC(=O)NC1(C#N)CCCCC1 ZINC000519989960 1015289173 /nfs/dbraw/zinc/28/91/73/1015289173.db2.gz AFWLEYRRROHTGE-UHFFFAOYSA-N 1 1 341.499 3.530 20 30 EHEDMO N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336792209 1015328352 /nfs/dbraw/zinc/32/83/52/1015328352.db2.gz RATXDETWMCAFJC-OAHLLOKOSA-N 1 1 346.356 3.658 20 30 EHEDMO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)nnn1-c1ccc(F)cc1 ZINC000154334816 1015382997 /nfs/dbraw/zinc/38/29/97/1015382997.db2.gz LVPOWXLVWGMNJD-KGLIPLIRSA-N 1 1 349.413 3.998 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccn2C)cc1OC ZINC000179707379 1015551612 /nfs/dbraw/zinc/55/16/12/1015551612.db2.gz XVPJTOWXKNCQLA-GOSISDBHSA-N 1 1 326.440 3.936 20 30 EHEDMO C=CC[N@H+](CCOc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297820 1015554009 /nfs/dbraw/zinc/55/40/09/1015554009.db2.gz AKXYMDVCAIZJND-UHFFFAOYSA-N 1 1 330.359 3.801 20 30 EHEDMO C=CCCCCNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460887905 1032122950 /nfs/dbraw/zinc/12/29/50/1032122950.db2.gz ADMGMKRTGQVJGF-UXHICEINSA-N 1 1 341.499 3.506 20 30 EHEDMO C=CCN(Cc1ccccc1)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001167126804 1016213529 /nfs/dbraw/zinc/21/35/29/1016213529.db2.gz PKTHZHSRGNLWLV-ZRDIBKRKSA-N 1 1 338.411 3.715 20 30 EHEDMO CC[N@@H+](C[C@@H]1Cc2cc(OC)ccc2O1)[C@H](C)c1ccc(C#N)cc1 ZINC001167130478 1016242435 /nfs/dbraw/zinc/24/24/35/1016242435.db2.gz IKIAKHVZGSGZRW-QRWLVFNGSA-N 1 1 336.435 3.953 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2nc3cc(F)ccc3s2)no1 ZINC000904594444 1032147738 /nfs/dbraw/zinc/14/77/38/1032147738.db2.gz CBQCIHZIEBWKQX-LLVKDONJSA-N 1 1 332.404 3.765 20 30 EHEDMO N#CCc1ccc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)cc1 ZINC000430361629 1016468121 /nfs/dbraw/zinc/46/81/21/1016468121.db2.gz UQJJLXRMXREBCC-UHFFFAOYSA-N 1 1 342.446 3.788 20 30 EHEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCCC1(C#N)CCOCC1 ZINC000375608981 1016613958 /nfs/dbraw/zinc/61/39/58/1016613958.db2.gz VHJSBLUBWOHNDP-WSTZPKSXSA-N 1 1 342.483 3.937 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1ccoc1C ZINC000178726018 1016762278 /nfs/dbraw/zinc/76/22/78/1016762278.db2.gz MSLBMHKAYWSAQG-AWEZNQCLSA-N 1 1 332.469 3.685 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1ccoc1C ZINC000178726018 1016762284 /nfs/dbraw/zinc/76/22/84/1016762284.db2.gz MSLBMHKAYWSAQG-AWEZNQCLSA-N 1 1 332.469 3.685 20 30 EHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000278725139 1032151648 /nfs/dbraw/zinc/15/16/48/1032151648.db2.gz VKZBDCAPNGUGPC-WQVCFCJDSA-N 1 1 335.245 3.515 20 30 EHEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000278725139 1032151650 /nfs/dbraw/zinc/15/16/50/1032151650.db2.gz VKZBDCAPNGUGPC-WQVCFCJDSA-N 1 1 335.245 3.515 20 30 EHEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000536695976 1032154719 /nfs/dbraw/zinc/15/47/19/1032154719.db2.gz OVZXSRLRYNCJPL-VQIMIIECSA-N 1 1 330.435 3.659 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2cc(Br)cs2)no1 ZINC000904713926 1032203515 /nfs/dbraw/zinc/20/35/15/1032203515.db2.gz YTIJWXQRDAXJIA-LLVKDONJSA-N 1 1 342.262 3.841 20 30 EHEDMO CC[C@@H](C)[C@H]1CN(CCC(C)(C)C#N)CC[N@H+]1CCC(C)(C)C#N ZINC000538468072 1032391558 /nfs/dbraw/zinc/39/15/58/1032391558.db2.gz RGIMZQXVADNAHB-QZTJIDSGSA-N 1 1 332.536 3.898 20 30 EHEDMO CC[C@@H](C)[C@H]1C[N@H+](CCC(C)(C)C#N)CCN1CCC(C)(C)C#N ZINC000538468072 1032391568 /nfs/dbraw/zinc/39/15/68/1032391568.db2.gz RGIMZQXVADNAHB-QZTJIDSGSA-N 1 1 332.536 3.898 20 30 EHEDMO CC[C@@H](C)[C@H]1C[N@@H+](CCC(C)(C)C#N)CCN1CCC(C)(C)C#N ZINC000538468072 1032391578 /nfs/dbraw/zinc/39/15/78/1032391578.db2.gz RGIMZQXVADNAHB-QZTJIDSGSA-N 1 1 332.536 3.898 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)C2CC(C)(C)C2)c1C ZINC000459733232 1032438092 /nfs/dbraw/zinc/43/80/92/1032438092.db2.gz AJYBFRFMFHIOFC-UHFFFAOYSA-N 1 1 327.472 3.671 20 30 EHEDMO COc1ccc(OCc2nc(C[NH2+]CC(C)(C)CC#N)cs2)cc1 ZINC000459738908 1032454263 /nfs/dbraw/zinc/45/42/63/1032454263.db2.gz YJDLDMTWSSPMET-UHFFFAOYSA-N 1 1 345.468 3.760 20 30 EHEDMO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCOc2ccc(C#N)cc2)CC1 ZINC000090106784 1032573013 /nfs/dbraw/zinc/57/30/13/1032573013.db2.gz AKYJGLDESFUNEP-LAUBAEHRSA-N 1 1 341.499 3.570 20 30 EHEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000602081243 1032617161 /nfs/dbraw/zinc/61/71/61/1032617161.db2.gz VASAKDJGIKDJOT-QGZVFWFLSA-N 1 1 349.434 3.939 20 30 EHEDMO C[N@H+]1CC[C@H](CC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000602092858 1032637771 /nfs/dbraw/zinc/63/77/71/1032637771.db2.gz JPVMGQKWUBCDBY-MRXNPFEDSA-N 1 1 335.407 3.631 20 30 EHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC12CCCC2 ZINC000593037647 1032673780 /nfs/dbraw/zinc/67/37/80/1032673780.db2.gz AQNMJTUBXGPSHX-HNNXBMFYSA-N 1 1 343.496 3.895 20 30 EHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC12CCCC2 ZINC000593037647 1032673789 /nfs/dbraw/zinc/67/37/89/1032673789.db2.gz AQNMJTUBXGPSHX-HNNXBMFYSA-N 1 1 343.496 3.895 20 30 EHEDMO C[C@H]1C[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC[N@H+]1C ZINC000610271191 1017120622 /nfs/dbraw/zinc/12/06/22/1017120622.db2.gz JBXYVDPKQVLBJM-LAUBAEHRSA-N 1 1 349.478 3.710 20 30 EHEDMO C[C@H]1C[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCN1C ZINC000610271191 1017120629 /nfs/dbraw/zinc/12/06/29/1017120629.db2.gz JBXYVDPKQVLBJM-LAUBAEHRSA-N 1 1 349.478 3.710 20 30 EHEDMO C[C@H]1C[C@H](NCc2cccc(OCc3cccc(C#N)c3)c2)CC[N@@H+]1C ZINC000610271191 1017120635 /nfs/dbraw/zinc/12/06/35/1017120635.db2.gz JBXYVDPKQVLBJM-LAUBAEHRSA-N 1 1 349.478 3.710 20 30 EHEDMO C[C@H]1C[C@H](NCc2cccc(OCc3cccc(C#N)c3)c2)CC[N@H+]1C ZINC000610271191 1017120648 /nfs/dbraw/zinc/12/06/48/1017120648.db2.gz JBXYVDPKQVLBJM-LAUBAEHRSA-N 1 1 349.478 3.710 20 30 EHEDMO COC(=O)c1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)s1 ZINC000177008731 1017545642 /nfs/dbraw/zinc/54/56/42/1017545642.db2.gz LVCFCCWCFPSKNB-UHFFFAOYSA-N 1 1 340.448 3.879 20 30 EHEDMO COC(=O)c1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)s1 ZINC000177008731 1017545650 /nfs/dbraw/zinc/54/56/50/1017545650.db2.gz LVCFCCWCFPSKNB-UHFFFAOYSA-N 1 1 340.448 3.879 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000610281918 1017625853 /nfs/dbraw/zinc/62/58/53/1017625853.db2.gz YZOJYXIZDIURQM-SFHVURJKSA-N 1 1 325.843 3.922 20 30 EHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(CCC#N)CC2)C1 ZINC000584526493 1017713375 /nfs/dbraw/zinc/71/33/75/1017713375.db2.gz RTQPKNTYVRODPI-KRWDZBQOSA-N 1 1 348.535 3.612 20 30 EHEDMO CCC[N@@H+](CCC(=O)N(C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000134987049 1017978222 /nfs/dbraw/zinc/97/82/22/1017978222.db2.gz PHMSZDLYQYYOMJ-UHFFFAOYSA-N 1 1 335.451 3.823 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccsc2C(=O)OC)c1 ZINC000892973011 1018021772 /nfs/dbraw/zinc/02/17/72/1018021772.db2.gz MHUVLZFJSLQKCP-OAHLLOKOSA-N 1 1 344.436 3.505 20 30 EHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001167342257 1018324952 /nfs/dbraw/zinc/32/49/52/1018324952.db2.gz UZSDBZRWDMQUJG-MRXNPFEDSA-N 1 1 343.471 3.616 20 30 EHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001167342257 1018324967 /nfs/dbraw/zinc/32/49/67/1018324967.db2.gz UZSDBZRWDMQUJG-MRXNPFEDSA-N 1 1 343.471 3.616 20 30 EHEDMO C[N@@H+](CCCSCC#N)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000377903460 1018524859 /nfs/dbraw/zinc/52/48/59/1018524859.db2.gz PIKNSUHNDNTQNP-UHFFFAOYSA-N 1 1 347.459 3.992 20 30 EHEDMO C=C[C@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000683826906 1018725167 /nfs/dbraw/zinc/72/51/67/1018725167.db2.gz XUZSNLQCJFYTDB-PMACEKPBSA-N 1 1 341.499 3.649 20 30 EHEDMO CCCC[N@@H+](Cc1ccc(C#N)cn1)[C@H]1CCc2ncsc2C1 ZINC000594016540 1032781949 /nfs/dbraw/zinc/78/19/49/1032781949.db2.gz ZDGIDYPQYQXULB-INIZCTEOSA-N 1 1 326.469 3.569 20 30 EHEDMO CCN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597946598 1032786861 /nfs/dbraw/zinc/78/68/61/1032786861.db2.gz QERJASFKBASRQO-GOSISDBHSA-N 1 1 349.434 3.517 20 30 EHEDMO C[N@@H+](CCC(=O)NC(C)(C)c1cccc(C#N)c1)C1CCCCC1 ZINC000597954033 1032795439 /nfs/dbraw/zinc/79/54/39/1032795439.db2.gz GIIHBYHOTVRHGX-UHFFFAOYSA-N 1 1 327.472 3.564 20 30 EHEDMO CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000592402383 1032797786 /nfs/dbraw/zinc/79/77/86/1032797786.db2.gz GLMULYKWINZARL-BHIFYINESA-N 1 1 333.479 3.944 20 30 EHEDMO CC[C@@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000592402383 1032797804 /nfs/dbraw/zinc/79/78/04/1032797804.db2.gz GLMULYKWINZARL-BHIFYINESA-N 1 1 333.479 3.944 20 30 EHEDMO COc1cc(CNC(C)(C)C[N@H+](C)Cc2ccccc2)ccc1C#N ZINC000379663626 1019052725 /nfs/dbraw/zinc/05/27/25/1019052725.db2.gz MBVBMFRVBKQAFR-UHFFFAOYSA-N 1 1 337.467 3.567 20 30 EHEDMO COc1cc(CNC(C)(C)C[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000379663626 1019052740 /nfs/dbraw/zinc/05/27/40/1019052740.db2.gz MBVBMFRVBKQAFR-UHFFFAOYSA-N 1 1 337.467 3.567 20 30 EHEDMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)c1 ZINC000120633323 1019109326 /nfs/dbraw/zinc/10/93/26/1019109326.db2.gz XAKIWNKMNAZCRX-QGZVFWFLSA-N 1 1 328.437 3.974 20 30 EHEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)c1 ZINC000120633323 1019109333 /nfs/dbraw/zinc/10/93/33/1019109333.db2.gz XAKIWNKMNAZCRX-QGZVFWFLSA-N 1 1 328.437 3.974 20 30 EHEDMO C=CCn1c(SCC[C@H]2CCCC[N@@H+]2C)nnc1-c1ccco1 ZINC000340666416 1019135929 /nfs/dbraw/zinc/13/59/29/1019135929.db2.gz SSHHUOUYJDSZND-CQSZACIVSA-N 1 1 332.473 3.691 20 30 EHEDMO C=CCCCN(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000513386664 1019595405 /nfs/dbraw/zinc/59/54/05/1019595405.db2.gz ONFTXVCKFPNOAK-QGZVFWFLSA-N 1 1 336.426 3.568 20 30 EHEDMO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1Cl ZINC000345164634 1020000310 /nfs/dbraw/zinc/00/03/10/1020000310.db2.gz JUSBGNSCPDOXLI-MNOVXSKESA-N 1 1 340.254 3.595 20 30 EHEDMO COc1ccc(C[N@H+]2CCC[C@@](C)(OC)CC2)cc1OCCCC#N ZINC000280339437 1020318895 /nfs/dbraw/zinc/31/88/95/1020318895.db2.gz RVGLRQHXXJHBDD-HXUWFJFHSA-N 1 1 346.471 3.769 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000280510155 1020448817 /nfs/dbraw/zinc/44/88/17/1020448817.db2.gz BTVOFQXMYCSTFW-QFBILLFUSA-N 1 1 333.435 3.604 20 30 EHEDMO CCC[N@@H+](C[C@@H](C)CCC#N)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000602468541 1032905839 /nfs/dbraw/zinc/90/58/39/1032905839.db2.gz MLKYYTSTUBSMHE-INIZCTEOSA-N 1 1 343.519 3.714 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc2nccnc2c1 ZINC000602485859 1032916245 /nfs/dbraw/zinc/91/62/45/1032916245.db2.gz ROFMNPUIUNDAPH-RXVVDRJESA-N 1 1 328.419 3.902 20 30 EHEDMO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000077221597 1020690014 /nfs/dbraw/zinc/69/00/14/1020690014.db2.gz AFPBKMAWPHHUIR-UHFFFAOYSA-N 1 1 348.878 3.796 20 30 EHEDMO C#CCOc1ccc(Br)cc1C[NH2+]Cc1occc1C ZINC000383283507 1020756380 /nfs/dbraw/zinc/75/63/80/1020756380.db2.gz JCXYSPPDPXADFB-UHFFFAOYSA-N 1 1 334.213 3.652 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000614510741 1021234883 /nfs/dbraw/zinc/23/48/83/1021234883.db2.gz AJLSPSBOJZUBGE-HNNXBMFYSA-N 1 1 333.435 3.643 20 30 EHEDMO Cc1cccc(NCCNc2c(C#N)cnc3c(F)cc(F)cc32)[nH+]1 ZINC000427370148 1021352332 /nfs/dbraw/zinc/35/23/32/1021352332.db2.gz OKQAGCMQPHOYTO-UHFFFAOYSA-N 1 1 339.349 3.612 20 30 EHEDMO C=C(C)[C@@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000505900397 1021390935 /nfs/dbraw/zinc/39/09/35/1021390935.db2.gz FLSKLRSWOSLVME-DNVCBOLYSA-N 1 1 336.426 3.963 20 30 EHEDMO CCc1ccc(C[N@@H+](Cc2cnc3ccc(C#N)cn23)C2CC2)cc1 ZINC000506569054 1021416631 /nfs/dbraw/zinc/41/66/31/1021416631.db2.gz WDVPMBVTGHNUHS-UHFFFAOYSA-N 1 1 330.435 3.933 20 30 EHEDMO COc1cc(C[N@H+](C)CC#Cc2ccc(Cl)cc2)cc(OC)c1 ZINC000426416231 1021527661 /nfs/dbraw/zinc/52/76/61/1021527661.db2.gz GYSAANBKXNNPQH-UHFFFAOYSA-N 1 1 329.827 3.841 20 30 EHEDMO COc1cc(C[N@@H+](C)CC#Cc2ccc(Cl)cc2)cc(OC)c1 ZINC000426416231 1021527676 /nfs/dbraw/zinc/52/76/76/1021527676.db2.gz GYSAANBKXNNPQH-UHFFFAOYSA-N 1 1 329.827 3.841 20 30 EHEDMO Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000519828687 1021708178 /nfs/dbraw/zinc/70/81/78/1021708178.db2.gz XSDIMMLRQRIQBY-WOJBJXKFSA-N 1 1 345.450 3.678 20 30 EHEDMO C=CCCC(C)(C)NC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000664623951 1021739253 /nfs/dbraw/zinc/73/92/53/1021739253.db2.gz LGFFMYLOAQRVJS-UHFFFAOYSA-N 1 1 330.476 3.534 20 30 EHEDMO CC(C)C1CCC([NH+]2CCN(C(=O)c3ccc(C#N)s3)CC2)CC1 ZINC000439987331 1021880482 /nfs/dbraw/zinc/88/04/82/1021880482.db2.gz JYNUSMGDLJZPPA-UHFFFAOYSA-N 1 1 345.512 3.592 20 30 EHEDMO COc1ccc(C#N)cc1CN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000437543478 1021946234 /nfs/dbraw/zinc/94/62/34/1021946234.db2.gz VNWPPLCJTOZAGB-MJGOQNOKSA-N 1 1 341.499 3.653 20 30 EHEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000437569184 1021955918 /nfs/dbraw/zinc/95/59/18/1021955918.db2.gz MYOMQGMXWPLDQE-ULRHQZHYSA-N 1 1 339.483 3.753 20 30 EHEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000437569184 1021955926 /nfs/dbraw/zinc/95/59/26/1021955926.db2.gz MYOMQGMXWPLDQE-ULRHQZHYSA-N 1 1 339.483 3.753 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000437573958 1021959823 /nfs/dbraw/zinc/95/98/23/1021959823.db2.gz DKDBAULDLQENCV-PXNSSMCTSA-N 1 1 333.435 3.769 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H]1c1ccccc1 ZINC000437573958 1021959833 /nfs/dbraw/zinc/95/98/33/1021959833.db2.gz DKDBAULDLQENCV-PXNSSMCTSA-N 1 1 333.435 3.769 20 30 EHEDMO Cc1ccccc1C[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000520168998 1021992818 /nfs/dbraw/zinc/99/28/18/1021992818.db2.gz NLGYRJOANSWIOJ-UHFFFAOYSA-N 1 1 339.483 3.644 20 30 EHEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)CC(=O)N[C@](C)(C#N)C(C)C ZINC000441339034 1022159191 /nfs/dbraw/zinc/15/91/91/1022159191.db2.gz HAGGVFMENHSAJX-PZJWPPBQSA-N 1 1 343.515 3.693 20 30 EHEDMO Cc1ccc([C@@H]2CSCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000156423656 1022211156 /nfs/dbraw/zinc/21/11/56/1022211156.db2.gz DGVYNAOCBUUOFM-PMACEKPBSA-N 1 1 338.476 3.690 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)Cc1ccsc1 ZINC000425924789 1022223323 /nfs/dbraw/zinc/22/33/23/1022223323.db2.gz UXTBUVZOSRVFQI-HNNXBMFYSA-N 1 1 341.480 3.901 20 30 EHEDMO C[C@H]1CSCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191896834 1022223818 /nfs/dbraw/zinc/22/38/18/1022223818.db2.gz ANKOSVFZFGZWND-LLVKDONJSA-N 1 1 325.275 3.506 20 30 EHEDMO COC(=O)c1sccc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000894963930 1022295153 /nfs/dbraw/zinc/29/51/53/1022295153.db2.gz GRTGRBACAGVYSD-INIZCTEOSA-N 1 1 326.421 3.574 20 30 EHEDMO O=C(CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)NC1CCCCC1 ZINC000328662927 1022458439 /nfs/dbraw/zinc/45/84/39/1022458439.db2.gz XQNNIYFIGDBSHM-INIZCTEOSA-N 1 1 344.503 3.688 20 30 EHEDMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000328769414 1022484528 /nfs/dbraw/zinc/48/45/28/1022484528.db2.gz ILICYJRRQUWNNJ-INIZCTEOSA-N 1 1 343.471 3.775 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000328780281 1022498484 /nfs/dbraw/zinc/49/84/84/1022498484.db2.gz MIYWJPNMFKRPQR-OLZOCXBDSA-N 1 1 331.416 3.908 20 30 EHEDMO N#C[C@@H]1CC[C@H](N2CCC[C@@]3(CCC[N@@H+]([C@H]4CC[C@H](C#N)C4)C3)C2)C1 ZINC000328784804 1022499268 /nfs/dbraw/zinc/49/92/68/1022499268.db2.gz OALGJEWVCXTEAF-HGJUEJDCSA-N 1 1 340.515 3.549 20 30 EHEDMO N#C[C@@H]1CC[C@H](N2CCC[C@@]3(CCC[N@H+]([C@H]4CC[C@H](C#N)C4)C3)C2)C1 ZINC000328784804 1022499273 /nfs/dbraw/zinc/49/92/73/1022499273.db2.gz OALGJEWVCXTEAF-HGJUEJDCSA-N 1 1 340.515 3.549 20 30 EHEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(CCCN([C@H]4CC[C@H](C#N)C4)C3)C2)C1 ZINC000328784804 1022499283 /nfs/dbraw/zinc/49/92/83/1022499283.db2.gz OALGJEWVCXTEAF-HGJUEJDCSA-N 1 1 340.515 3.549 20 30 EHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]3(CCCN([C@H]4CC[C@H](C#N)C4)C3)C2)C1 ZINC000328784804 1022499289 /nfs/dbraw/zinc/49/92/89/1022499289.db2.gz OALGJEWVCXTEAF-HGJUEJDCSA-N 1 1 340.515 3.549 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1N1CCC(O)CC1 ZINC000328790309 1022501677 /nfs/dbraw/zinc/50/16/77/1022501677.db2.gz QFAGWMNIAOXKSW-MRXNPFEDSA-N 1 1 345.487 3.500 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000425971405 1022509172 /nfs/dbraw/zinc/50/91/72/1022509172.db2.gz OWKNHSJQQBNGFD-FGTMMUONSA-N 1 1 347.890 3.835 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000425971405 1022509178 /nfs/dbraw/zinc/50/91/78/1022509178.db2.gz OWKNHSJQQBNGFD-FGTMMUONSA-N 1 1 347.890 3.835 20 30 EHEDMO O=C(C[N@H+]1CC[C@H](C2CC2)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000328940311 1022537902 /nfs/dbraw/zinc/53/79/02/1022537902.db2.gz KQSZYYWJUVQSGH-SOZFHFLDSA-N 1 1 345.487 3.558 20 30 EHEDMO CC(C)CNC(=O)c1cccc(C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000330714834 1022658822 /nfs/dbraw/zinc/65/88/22/1022658822.db2.gz SHLQATKCKZIXPF-OALUTQOASA-N 1 1 346.515 3.876 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)ccc1OC ZINC000449689071 1033072437 /nfs/dbraw/zinc/07/24/37/1033072437.db2.gz XPEGCJBENQONPS-HXUWFJFHSA-N 1 1 331.456 3.653 20 30 EHEDMO C=CCn1c(Cc2ccccc2)nnc1SCC[C@@H]1CCC[N@@H+]1C ZINC000125848543 1022697638 /nfs/dbraw/zinc/69/76/38/1022697638.db2.gz XNXUDLSTXDZVHJ-KRWDZBQOSA-N 1 1 342.512 3.631 20 30 EHEDMO CC(C)(C)c1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)s1 ZINC000506247285 1022707764 /nfs/dbraw/zinc/70/77/64/1022707764.db2.gz JILLSYUYQWYPNU-UHFFFAOYSA-N 1 1 340.496 3.634 20 30 EHEDMO C[C@H]1CCN(c2c(F)cc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000383079208 1022924136 /nfs/dbraw/zinc/92/41/36/1022924136.db2.gz APAAGCLMYLQHAC-HNNXBMFYSA-N 1 1 341.405 3.937 20 30 EHEDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000119413132 1022991301 /nfs/dbraw/zinc/99/13/01/1022991301.db2.gz VXUAAMFSRZYGAA-OAHLLOKOSA-N 1 1 340.398 3.509 20 30 EHEDMO N#Cc1ncccc1N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000574373085 1033099307 /nfs/dbraw/zinc/09/93/07/1033099307.db2.gz KIORGMFOYSEVPV-HNNXBMFYSA-N 1 1 344.821 3.822 20 30 EHEDMO N#Cc1ncccc1N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000574373085 1033099323 /nfs/dbraw/zinc/09/93/23/1033099323.db2.gz KIORGMFOYSEVPV-HNNXBMFYSA-N 1 1 344.821 3.822 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@]3(CCSC3)C2)cc1OC ZINC000449731392 1033103558 /nfs/dbraw/zinc/10/35/58/1033103558.db2.gz IOETVCLAUNZVBR-IBGZPJMESA-N 1 1 333.497 3.979 20 30 EHEDMO C=C(C)CCNC(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000459008128 1023083795 /nfs/dbraw/zinc/08/37/95/1023083795.db2.gz SWYYITCJPHQDFK-PKOBYXMFSA-N 1 1 329.488 3.820 20 30 EHEDMO N#CC1CCC([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)CC1 ZINC000602717837 1033104836 /nfs/dbraw/zinc/10/48/36/1033104836.db2.gz IQZCKTGAQIVGCT-CKHPTIKVSA-N 1 1 337.511 3.961 20 30 EHEDMO CC[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)C[C@H](O)C(F)(F)F ZINC000189876450 1023128325 /nfs/dbraw/zinc/12/83/25/1023128325.db2.gz ZQMXELFMEYUZDH-NSHDSACASA-N 1 1 333.247 3.590 20 30 EHEDMO CC[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)C[C@H](O)C(F)(F)F ZINC000189876450 1023128329 /nfs/dbraw/zinc/12/83/29/1023128329.db2.gz ZQMXELFMEYUZDH-NSHDSACASA-N 1 1 333.247 3.590 20 30 EHEDMO C=C(CC)CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000459081956 1023243472 /nfs/dbraw/zinc/24/34/72/1023243472.db2.gz RFTRTVAUWMNANP-PKOBYXMFSA-N 1 1 329.488 3.647 20 30 EHEDMO N#CC1(F)CC[NH+](CCCc2ccccc2Br)CC1 ZINC000510873480 1023326803 /nfs/dbraw/zinc/32/68/03/1023326803.db2.gz UAUUQPKLKWMCQU-UHFFFAOYSA-N 1 1 325.225 3.709 20 30 EHEDMO C[N@@H+](CCNC(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CCCCC1 ZINC000337963303 1023417129 /nfs/dbraw/zinc/41/71/29/1023417129.db2.gz OWCUDZJJNZBSKQ-UHFFFAOYSA-N 1 1 345.491 3.501 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000337955919 1023420015 /nfs/dbraw/zinc/42/00/15/1023420015.db2.gz OSLXEFMMNYKPFS-HXUWFJFHSA-N 1 1 347.462 3.603 20 30 EHEDMO CC(C)CC[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610753036 1023446805 /nfs/dbraw/zinc/44/68/05/1023446805.db2.gz ZYLUUZRYVMQCRM-UXHICEINSA-N 1 1 344.499 3.783 20 30 EHEDMO COc1ccc(C[N@@H+]2CCOC3(CCCC3)C2)cc1OCCCC#N ZINC000093589266 1023493732 /nfs/dbraw/zinc/49/37/32/1023493732.db2.gz MINCOYCYDRIEAK-UHFFFAOYSA-N 1 1 344.455 3.523 20 30 EHEDMO COc1ccc(C[N@H+]2CCOC3(CCCC3)C2)cc1OCCCC#N ZINC000093589266 1023493740 /nfs/dbraw/zinc/49/37/40/1023493740.db2.gz MINCOYCYDRIEAK-UHFFFAOYSA-N 1 1 344.455 3.523 20 30 EHEDMO N#CCCC[NH2+]Cc1cc(Br)sc1Br ZINC000602755748 1033145248 /nfs/dbraw/zinc/14/52/48/1033145248.db2.gz NDXYZNWXUHRKBE-UHFFFAOYSA-N 1 1 338.068 3.666 20 30 EHEDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000535798087 1023644900 /nfs/dbraw/zinc/64/49/00/1023644900.db2.gz FJMPYDOHXOSKKI-SFHVURJKSA-N 1 1 338.451 3.752 20 30 EHEDMO C=CCOc1ccccc1C[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000449760687 1033153734 /nfs/dbraw/zinc/15/37/34/1033153734.db2.gz QPCLGIDJZRQGLH-UHFFFAOYSA-N 1 1 342.405 3.710 20 30 EHEDMO COCC1(C#N)CC[NH+](Cc2ccc(C)c(Br)c2)CC1 ZINC000341980021 1023730994 /nfs/dbraw/zinc/73/09/94/1023730994.db2.gz CARGQJSTIHDNPC-UHFFFAOYSA-N 1 1 337.261 3.510 20 30 EHEDMO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)nnn1-c1ccccc1 ZINC000610830385 1023780281 /nfs/dbraw/zinc/78/02/81/1023780281.db2.gz POCADIKAMNUHRV-LSDHHAIUSA-N 1 1 331.423 3.859 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](C)CC1 ZINC000063302581 1033164513 /nfs/dbraw/zinc/16/45/13/1033164513.db2.gz IWJLHDVEWCKYFB-HZPDHXFCSA-N 1 1 331.435 3.583 20 30 EHEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 ZINC000181266586 1023874849 /nfs/dbraw/zinc/87/48/49/1023874849.db2.gz HBTCPOHAURMFOD-UHFFFAOYSA-N 1 1 345.468 3.574 20 30 EHEDMO C=C(C)C[N@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 ZINC000181266586 1023874859 /nfs/dbraw/zinc/87/48/59/1023874859.db2.gz HBTCPOHAURMFOD-UHFFFAOYSA-N 1 1 345.468 3.574 20 30 EHEDMO COc1c(F)c(F)ccc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001211887821 1023956553 /nfs/dbraw/zinc/95/65/53/1023956553.db2.gz ZOJWJGDTEMSZCA-UHFFFAOYSA-N 1 1 335.379 3.638 20 30 EHEDMO N#Cc1cc(C[N@H+](Cc2cccc(Br)c2)C2CC2)ccn1 ZINC000610991590 1023959799 /nfs/dbraw/zinc/95/97/99/1023959799.db2.gz RUMRMBCIOJOHKJ-UHFFFAOYSA-N 1 1 342.240 3.880 20 30 EHEDMO C=CCCCCNC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000474062380 1023974705 /nfs/dbraw/zinc/97/47/05/1023974705.db2.gz VJGZGYOEUUIVKW-RUYXUALKSA-N 1 1 343.515 3.799 20 30 EHEDMO C=CC[N@H+](CCOc1ccc(C#N)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297841 1033182032 /nfs/dbraw/zinc/18/20/32/1033182032.db2.gz WXWCPXPFFPZJTO-UHFFFAOYSA-N 1 1 337.379 3.533 20 30 EHEDMO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2C2CCCCC2)c(C#N)c1C ZINC000434604423 1024178191 /nfs/dbraw/zinc/17/81/91/1024178191.db2.gz BBTAXDDFGDKAHX-KRWDZBQOSA-N 1 1 329.444 3.751 20 30 EHEDMO C=CCOc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000181665830 1024179762 /nfs/dbraw/zinc/17/97/62/1024179762.db2.gz FJCHISMZHLWTPN-FUHWJXTLSA-N 1 1 342.483 3.634 20 30 EHEDMO CCC[C@H](NC(=O)NC[C@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC000329905822 1024244656 /nfs/dbraw/zinc/24/46/56/1024244656.db2.gz JTHFDSGZPIBLNS-WBVHZDCISA-N 1 1 332.492 3.698 20 30 EHEDMO C[C@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000425135334 1024298335 /nfs/dbraw/zinc/29/83/35/1024298335.db2.gz VRYHFVWQOMYUMA-DLBZAZTESA-N 1 1 347.462 3.524 20 30 EHEDMO C[C@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000425135334 1024298346 /nfs/dbraw/zinc/29/83/46/1024298346.db2.gz VRYHFVWQOMYUMA-DLBZAZTESA-N 1 1 347.462 3.524 20 30 EHEDMO CC[C@@H](C)n1ncc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1C ZINC000330100330 1024318130 /nfs/dbraw/zinc/31/81/30/1024318130.db2.gz DUWKIXUHXSIHJQ-ZBFHGGJFSA-N 1 1 335.496 3.514 20 30 EHEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCC[C@@H]1CCC[C@H](C)C1 ZINC000330199374 1024351385 /nfs/dbraw/zinc/35/13/85/1024351385.db2.gz VIMHSXHXUFFVIU-SZMVWBNQSA-N 1 1 332.492 3.786 20 30 EHEDMO CCc1ccc2c(c1)[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C1CC1)C(=O)N2 ZINC000330207255 1024356069 /nfs/dbraw/zinc/35/60/69/1024356069.db2.gz AEGNRMHSJPBJFO-YJBOKZPZSA-N 1 1 341.455 3.908 20 30 EHEDMO COCC(C)(C)[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000430113636 1024383389 /nfs/dbraw/zinc/38/33/89/1024383389.db2.gz MUCKQSZRZKAJST-UHFFFAOYSA-N 1 1 338.451 3.994 20 30 EHEDMO CC(C)[C@H](NC(=O)C[N@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000026328675 1033207002 /nfs/dbraw/zinc/20/70/02/1033207002.db2.gz ANBBYYAUBYVMLF-NRFANRHFSA-N 1 1 335.451 3.504 20 30 EHEDMO CC(C)[C@H](NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000026328675 1033207020 /nfs/dbraw/zinc/20/70/20/1033207020.db2.gz ANBBYYAUBYVMLF-NRFANRHFSA-N 1 1 335.451 3.504 20 30 EHEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)C[C@H](c2ccccc2)O1 ZINC000281968451 1024467178 /nfs/dbraw/zinc/46/71/78/1024467178.db2.gz KXLPOKFHLDNALV-IEBWSBKVSA-N 1 1 328.456 3.549 20 30 EHEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000434897258 1024488119 /nfs/dbraw/zinc/48/81/19/1024488119.db2.gz VIQDXHIXAZZURB-OXQOHEQNSA-N 1 1 333.435 3.765 20 30 EHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Oc2ccccc2)nn1 ZINC000346225931 1024541145 /nfs/dbraw/zinc/54/11/45/1024541145.db2.gz ARXBYCNPUZORCJ-UHFFFAOYSA-N 1 1 330.391 3.773 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Oc2ccccc2)nn1 ZINC000346225931 1024541156 /nfs/dbraw/zinc/54/11/56/1024541156.db2.gz ARXBYCNPUZORCJ-UHFFFAOYSA-N 1 1 330.391 3.773 20 30 EHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000435040648 1024565589 /nfs/dbraw/zinc/56/55/89/1024565589.db2.gz MJFIQFCXQYVUKH-BSIFCXSSSA-N 1 1 348.446 3.725 20 30 EHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000435040648 1024565597 /nfs/dbraw/zinc/56/55/97/1024565597.db2.gz MJFIQFCXQYVUKH-BSIFCXSSSA-N 1 1 348.446 3.725 20 30 EHEDMO N#Cc1cccc(SC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000430137315 1024666887 /nfs/dbraw/zinc/66/68/87/1024666887.db2.gz VTHGAAINRNKLAS-LJQANCHMSA-N 1 1 338.476 3.941 20 30 EHEDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(C#N)ccc1F ZINC000025358288 1024702794 /nfs/dbraw/zinc/70/27/94/1024702794.db2.gz SERSDTHTGVPFIV-UHFFFAOYSA-N 1 1 328.387 3.737 20 30 EHEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(C#N)ccc1F ZINC000025358288 1024702800 /nfs/dbraw/zinc/70/28/00/1024702800.db2.gz SERSDTHTGVPFIV-UHFFFAOYSA-N 1 1 328.387 3.737 20 30 EHEDMO N#CCc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000398984901 1024745809 /nfs/dbraw/zinc/74/58/09/1024745809.db2.gz GMEYDMVDMWDAFX-RJGXRXQPSA-N 1 1 345.490 3.753 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)c1 ZINC000895716532 1024759014 /nfs/dbraw/zinc/75/90/14/1024759014.db2.gz IHKNCTQPSUTCTJ-MRXNPFEDSA-N 1 1 333.863 3.635 20 30 EHEDMO Cn1cc(C2=CCC[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)C2)cn1 ZINC000602882114 1033233816 /nfs/dbraw/zinc/23/38/16/1033233816.db2.gz JBCGRPCQOURNRU-UHFFFAOYSA-N 1 1 346.356 3.600 20 30 EHEDMO Cn1cc(C2=CCC[N@@H+](Cc3ccc(C#N)cc3C(F)(F)F)C2)cn1 ZINC000602882114 1033233830 /nfs/dbraw/zinc/23/38/30/1033233830.db2.gz JBCGRPCQOURNRU-UHFFFAOYSA-N 1 1 346.356 3.600 20 30 EHEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000507925219 1024778703 /nfs/dbraw/zinc/77/87/03/1024778703.db2.gz SNQDDSYAVJXDBB-HNNXBMFYSA-N 1 1 341.405 3.715 20 30 EHEDMO CC(C)c1nnc(CC2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)[nH]1 ZINC000602866916 1033239033 /nfs/dbraw/zinc/23/90/33/1033239033.db2.gz UVPCMQJQKQLOKH-OAHLLOKOSA-N 1 1 337.471 3.815 20 30 EHEDMO CC(C)c1nc(CC2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)n[nH]1 ZINC000602866916 1033239037 /nfs/dbraw/zinc/23/90/37/1033239037.db2.gz UVPCMQJQKQLOKH-OAHLLOKOSA-N 1 1 337.471 3.815 20 30 EHEDMO COc1ccc(C#N)cc1C[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000602927291 1033255499 /nfs/dbraw/zinc/25/54/99/1033255499.db2.gz ZHOPRELASSUXEJ-QGZVFWFLSA-N 1 1 348.805 3.573 20 30 EHEDMO C=CC[C@H](CC)NC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544365967 1025085224 /nfs/dbraw/zinc/08/52/24/1025085224.db2.gz SNAVXZVMDBHADC-NEWSRXKRSA-N 1 1 329.488 3.551 20 30 EHEDMO CCC[N@@H+](CC(=O)N[C@H](C)c1cccs1)Cc1ccc(C#N)cc1 ZINC000515246326 1025108639 /nfs/dbraw/zinc/10/86/39/1025108639.db2.gz XRDCBXVGLIWQRA-OAHLLOKOSA-N 1 1 341.480 3.709 20 30 EHEDMO C=C(C)COc1cc(CN[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)ccc1OC ZINC000520944863 1025128874 /nfs/dbraw/zinc/12/88/74/1025128874.db2.gz OLKAPGWVELSVHU-MSOLQXFVSA-N 1 1 346.515 3.860 20 30 EHEDMO C=C(C)COc1cc(C[NH2+][C@@H](C)CN2CCC[C@@H](C)C2)ccc1OC ZINC000520944863 1025128880 /nfs/dbraw/zinc/12/88/80/1025128880.db2.gz OLKAPGWVELSVHU-MSOLQXFVSA-N 1 1 346.515 3.860 20 30 EHEDMO C=CC[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccccc1 ZINC000027775171 1025213312 /nfs/dbraw/zinc/21/33/12/1025213312.db2.gz WYYAMIMBDFUHCK-UHFFFAOYSA-N 1 1 338.495 3.760 20 30 EHEDMO C=CC[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccccc1 ZINC000027775171 1025213320 /nfs/dbraw/zinc/21/33/20/1025213320.db2.gz WYYAMIMBDFUHCK-UHFFFAOYSA-N 1 1 338.495 3.760 20 30 EHEDMO Cc1ccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c(F)c1 ZINC000521195897 1025269969 /nfs/dbraw/zinc/26/99/69/1025269969.db2.gz ZVYOSIXYAHGPRZ-UHFFFAOYSA-N 1 1 339.414 3.855 20 30 EHEDMO Cc1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c(F)c1 ZINC000521195897 1025269978 /nfs/dbraw/zinc/26/99/78/1025269978.db2.gz ZVYOSIXYAHGPRZ-UHFFFAOYSA-N 1 1 339.414 3.855 20 30 EHEDMO C=CC1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000474685905 1025329439 /nfs/dbraw/zinc/32/94/39/1025329439.db2.gz ZJBPTWIYPCKWSU-LJQANCHMSA-N 1 1 330.447 3.605 20 30 EHEDMO C=CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000474685905 1025329446 /nfs/dbraw/zinc/32/94/46/1025329446.db2.gz ZJBPTWIYPCKWSU-LJQANCHMSA-N 1 1 330.447 3.605 20 30 EHEDMO Cn1cc(C[N@H+]2CCC[C@@H]2c2cccnc2)c(-c2ccc(C#N)cc2)n1 ZINC000346986473 1025388678 /nfs/dbraw/zinc/38/86/78/1025388678.db2.gz QHVWEUWLWRVYTG-HXUWFJFHSA-N 1 1 343.434 3.691 20 30 EHEDMO C=CCCn1cc(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)nn1 ZINC000657357532 1025439793 /nfs/dbraw/zinc/43/97/93/1025439793.db2.gz AKSXZKAEENYQHF-OAHLLOKOSA-N 1 1 337.254 3.938 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCC[C@@H]1C#N ZINC000602979522 1033283330 /nfs/dbraw/zinc/28/33/30/1033283330.db2.gz FHSSIFIKUUKQRK-DOMZBBRYSA-N 1 1 339.361 3.658 20 30 EHEDMO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1c(F)cccc1Cl ZINC000551804411 1025467511 /nfs/dbraw/zinc/46/75/11/1025467511.db2.gz YLIHHNUILBXUJB-LLVKDONJSA-N 1 1 328.778 3.849 20 30 EHEDMO C[C@H]([NH2+]Cc1ccncc1OCC(F)F)c1ccc(C#N)cc1F ZINC000442867172 1025537351 /nfs/dbraw/zinc/53/73/51/1025537351.db2.gz KNICBMUXHFPFRD-NSHDSACASA-N 1 1 335.329 3.587 20 30 EHEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000451104835 1025570144 /nfs/dbraw/zinc/57/01/44/1025570144.db2.gz HABRRCVRTJZNSO-BWACUDIHSA-N 1 1 339.842 3.573 20 30 EHEDMO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3c(C)cccc3C(C)C)C2)n1 ZINC000329067107 1025584429 /nfs/dbraw/zinc/58/44/29/1025584429.db2.gz WWFTYJYDWFVGFV-OAHLLOKOSA-N 1 1 342.443 3.887 20 30 EHEDMO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3c(C)cccc3C(C)C)C2)n1 ZINC000329067107 1025584441 /nfs/dbraw/zinc/58/44/41/1025584441.db2.gz WWFTYJYDWFVGFV-OAHLLOKOSA-N 1 1 342.443 3.887 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc(C)cc1F ZINC000521683856 1025589283 /nfs/dbraw/zinc/58/92/83/1025589283.db2.gz BTFBXNCWHNUBKR-UHFFFAOYSA-N 1 1 326.415 3.803 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccc(C)cc1F ZINC000521683856 1025589298 /nfs/dbraw/zinc/58/92/98/1025589298.db2.gz BTFBXNCWHNUBKR-UHFFFAOYSA-N 1 1 326.415 3.803 20 30 EHEDMO Cn1cc(C(=O)NCC[N@@H+](C)C2CCCC2)c(C2CCCCC2)n1 ZINC000329081807 1025592830 /nfs/dbraw/zinc/59/28/30/1025592830.db2.gz DGFJNWZARUEWIL-UHFFFAOYSA-N 1 1 332.492 3.647 20 30 EHEDMO Cc1ccccc1CC[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000451171196 1025631913 /nfs/dbraw/zinc/63/19/13/1025631913.db2.gz SAAAQUYGRTUDRJ-UHFFFAOYSA-N 1 1 332.407 3.591 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)Nc1ccc(F)cc1 ZINC000425531840 1025652015 /nfs/dbraw/zinc/65/20/15/1025652015.db2.gz IGFMAOIAUHXIKW-CQSZACIVSA-N 1 1 325.387 3.719 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000425537772 1025669655 /nfs/dbraw/zinc/66/96/55/1025669655.db2.gz RDYNURHWGOTBAR-KSFYIVLOSA-N 1 1 347.462 3.819 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000425537772 1025669660 /nfs/dbraw/zinc/66/96/60/1025669660.db2.gz RDYNURHWGOTBAR-KSFYIVLOSA-N 1 1 347.462 3.819 20 30 EHEDMO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c(F)c1 ZINC000425535566 1025683690 /nfs/dbraw/zinc/68/36/90/1025683690.db2.gz NKWAPDSXPFBKPO-CQSZACIVSA-N 1 1 325.387 3.637 20 30 EHEDMO Cc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c(F)c1 ZINC000425535566 1025683696 /nfs/dbraw/zinc/68/36/96/1025683696.db2.gz NKWAPDSXPFBKPO-CQSZACIVSA-N 1 1 325.387 3.637 20 30 EHEDMO COC(C)(C)[C@H]1CCC[N@@H+]1Cc1cc(Br)ccc1C#N ZINC001141903282 1025696952 /nfs/dbraw/zinc/69/69/52/1025696952.db2.gz YRCFIZPPRRDPBI-OAHLLOKOSA-N 1 1 337.261 3.710 20 30 EHEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1C#N ZINC001141903282 1025696958 /nfs/dbraw/zinc/69/69/58/1025696958.db2.gz YRCFIZPPRRDPBI-OAHLLOKOSA-N 1 1 337.261 3.710 20 30 EHEDMO Cc1cccc(C[N@H+](CC(=O)NCc2cccc(C#N)c2)CC(C)C)c1 ZINC000521821492 1025709614 /nfs/dbraw/zinc/70/96/14/1025709614.db2.gz GOHGDASYHIRGSJ-UHFFFAOYSA-N 1 1 349.478 3.641 20 30 EHEDMO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)nc1 ZINC000896650970 1025806974 /nfs/dbraw/zinc/80/69/74/1025806974.db2.gz ODYHSZWTUILDLZ-GOSISDBHSA-N 1 1 331.423 3.511 20 30 EHEDMO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3cccc4cc[nH]c43)C2)nc1 ZINC000896654106 1025812813 /nfs/dbraw/zinc/81/28/13/1025812813.db2.gz JUUJLAAQPBYKCV-GOSISDBHSA-N 1 1 331.423 3.511 20 30 EHEDMO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)c1 ZINC000505843804 1025817897 /nfs/dbraw/zinc/81/78/97/1025817897.db2.gz BSUHWESJUFVMDM-YVNCXZRQSA-N 1 1 331.419 3.675 20 30 EHEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)c1 ZINC000505843804 1025817916 /nfs/dbraw/zinc/81/79/16/1025817916.db2.gz BSUHWESJUFVMDM-YVNCXZRQSA-N 1 1 331.419 3.675 20 30 EHEDMO Cc1cccc(C)c1NC(=O)CN(C)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000329424369 1025829355 /nfs/dbraw/zinc/82/93/55/1025829355.db2.gz GKFZYVCVVNGZLR-KRWDZBQOSA-N 1 1 345.487 3.614 20 30 EHEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000444173750 1025871663 /nfs/dbraw/zinc/87/16/63/1025871663.db2.gz DBHBPSVFSSWHDJ-KUHUBIRLSA-N 1 1 337.398 3.719 20 30 EHEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000444173750 1025871684 /nfs/dbraw/zinc/87/16/84/1025871684.db2.gz DBHBPSVFSSWHDJ-KUHUBIRLSA-N 1 1 337.398 3.719 20 30 EHEDMO Cc1c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cnn1C1CCCCC1 ZINC000329515058 1025945475 /nfs/dbraw/zinc/94/54/75/1025945475.db2.gz OINRSBDJOQNYQV-QZTJIDSGSA-N 1 1 330.476 3.628 20 30 EHEDMO CC(C)CC[N@@H+](CCC#N)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000444232358 1025952663 /nfs/dbraw/zinc/95/26/63/1025952663.db2.gz QCTWGMCZPVYXTA-UHFFFAOYSA-N 1 1 346.862 3.802 20 30 EHEDMO CO[C@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1(C)C ZINC000451564487 1026115561 /nfs/dbraw/zinc/11/55/61/1026115561.db2.gz LTMWEBLXISHMHL-INIZCTEOSA-N 1 1 341.373 3.684 20 30 EHEDMO Cn1cc(Br)cc1C[N@@H+](C)CCCCC(C)(C)C#N ZINC000277581687 1026148897 /nfs/dbraw/zinc/14/88/97/1026148897.db2.gz CHWDGVXVHPDSHT-UHFFFAOYSA-N 1 1 326.282 3.939 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c(Cl)c1 ZINC000451625749 1026161524 /nfs/dbraw/zinc/16/15/24/1026161524.db2.gz JIJHXAZZPVVYFQ-AEFFLSMTSA-N 1 1 330.859 3.993 20 30 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C=CCSc1ccccc1C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000485461693 1039104108 /nfs/dbraw/zinc/10/41/08/1039104108.db2.gz FWMJSAPUNYKIMO-IYBDPMFKSA-N 1 1 332.513 3.957 20 30 EHEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000554265449 1039137127 /nfs/dbraw/zinc/13/71/27/1039137127.db2.gz SNHRFGDHIAMREA-KDOFPFPSSA-N 1 1 345.406 3.586 20 30 EHEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000554265449 1039137134 /nfs/dbraw/zinc/13/71/34/1039137134.db2.gz SNHRFGDHIAMREA-KDOFPFPSSA-N 1 1 345.406 3.586 20 30 EHEDMO C[N@@H+]1CC[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000552275786 1039150845 /nfs/dbraw/zinc/15/08/45/1039150845.db2.gz ADFSKKDROFIOTK-OKZBNKHCSA-N 1 1 336.401 3.519 20 30 EHEDMO C[N@H+]1CC[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000552275786 1039150854 /nfs/dbraw/zinc/15/08/54/1039150854.db2.gz ADFSKKDROFIOTK-OKZBNKHCSA-N 1 1 336.401 3.519 20 30 EHEDMO Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 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JGYBUPHUKFASCT-QYZOEREBSA-N 1 1 325.456 3.555 20 30 EHEDMO C=CC[N@H+](C)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000154758594 1040453016 /nfs/dbraw/zinc/45/30/16/1040453016.db2.gz CFQWYBDTPVSWJW-UHFFFAOYSA-N 1 1 342.395 3.800 20 30 EHEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000481209755 1040495251 /nfs/dbraw/zinc/49/52/51/1040495251.db2.gz LJGGGERJIRWIGV-OAHLLOKOSA-N 1 1 344.455 3.953 20 30 EHEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000481209755 1040495264 /nfs/dbraw/zinc/49/52/64/1040495264.db2.gz LJGGGERJIRWIGV-OAHLLOKOSA-N 1 1 344.455 3.953 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000247274503 1040551372 /nfs/dbraw/zinc/55/13/72/1040551372.db2.gz YHCSNJRBDSSBCG-HUUCEWRRSA-N 1 1 331.485 3.751 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000247274503 1040551385 /nfs/dbraw/zinc/55/13/85/1040551385.db2.gz YHCSNJRBDSSBCG-HUUCEWRRSA-N 1 1 331.485 3.751 20 30 EHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433057418 1040561412 /nfs/dbraw/zinc/56/14/12/1040561412.db2.gz LJMOUUYTORJPIZ-QFBILLFUSA-N 1 1 333.435 3.765 20 30 EHEDMO C=CCc1cc(C[NH2+][C@H](C)CN2C[C@@H](C)C[C@H](C)C2)cc(OC)c1O ZINC000500129887 1040567291 /nfs/dbraw/zinc/56/72/91/1040567291.db2.gz IIDNJSKHVWXESG-YESZJQIVSA-N 1 1 346.515 3.585 20 30 EHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000614227522 1040765118 /nfs/dbraw/zinc/76/51/18/1040765118.db2.gz UWBRYDSGQRLEFS-PXNSSMCTSA-N 1 1 325.452 3.848 20 30 EHEDMO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000343862430 1040784465 /nfs/dbraw/zinc/78/44/65/1040784465.db2.gz KOVTTYCOXLXMTL-CYBMUJFWSA-N 1 1 342.409 3.948 20 30 EHEDMO CC(C)c1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046835934 1040984949 /nfs/dbraw/zinc/98/49/49/1040984949.db2.gz HDOKUDKUDFUPID-LJQANCHMSA-N 1 1 338.451 3.553 20 30 EHEDMO C=CC[C@H](C(=O)NCC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000487737327 1041083502 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ALWKVDLOUOTIFV-PMACEKPBSA-N 1 1 341.499 3.675 20 30 EHEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433311550 1041270770 /nfs/dbraw/zinc/27/07/70/1041270770.db2.gz HXLMXUFNYGGNOM-SIXWZSSISA-N 1 1 347.890 3.572 20 30 EHEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433311550 1041270789 /nfs/dbraw/zinc/27/07/89/1041270789.db2.gz HXLMXUFNYGGNOM-SIXWZSSISA-N 1 1 347.890 3.572 20 30 EHEDMO C=CC[N@@H+](Cc1cccc(OCc2ccccn2)c1)[C@H](C)COC ZINC000661238891 1042026416 /nfs/dbraw/zinc/02/64/16/1042026416.db2.gz HBDYNLKVSIBBCU-QGZVFWFLSA-N 1 1 326.440 3.684 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CCF)C1 ZINC000661692493 1042233367 /nfs/dbraw/zinc/23/33/67/1042233367.db2.gz OEHWMURGFNEVTA-HOTGVXAUSA-N 1 1 338.492 3.723 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000662085681 1042502555 /nfs/dbraw/zinc/50/25/55/1042502555.db2.gz IRQSMVFAYCGDNE-KDURUIRLSA-N 1 1 339.483 3.717 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1cccnc1 ZINC000093872416 1042565551 /nfs/dbraw/zinc/56/55/51/1042565551.db2.gz NOELSSFDWIRGPL-UXHICEINSA-N 1 1 343.434 3.743 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1c[nH]nc1-c1cccnc1 ZINC000093872416 1042565554 /nfs/dbraw/zinc/56/55/54/1042565554.db2.gz NOELSSFDWIRGPL-UXHICEINSA-N 1 1 343.434 3.743 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(OC)c(OC)c1OC ZINC000512036737 1043019806 /nfs/dbraw/zinc/01/98/06/1043019806.db2.gz LJHSHGZHUOOVMT-UHFFFAOYSA-N 1 1 341.451 3.943 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000344012514 1043099691 /nfs/dbraw/zinc/09/96/91/1043099691.db2.gz UNFKSGHRDJOJFU-GOEBONIOSA-N 1 1 343.496 3.751 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000344023668 1043115143 /nfs/dbraw/zinc/11/51/43/1043115143.db2.gz BDCHOLPOSHFMAE-IAGOWNOFSA-N 1 1 327.472 3.690 20 30 EHEDMO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@@H]1CC=CCC1 ZINC000344071332 1043208785 /nfs/dbraw/zinc/20/87/85/1043208785.db2.gz RXSBFUADLKETPT-MRXNPFEDSA-N 1 1 345.874 3.875 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000344071473 1043211293 /nfs/dbraw/zinc/21/12/93/1043211293.db2.gz QPCAHBTXMZLCMM-CVEARBPZSA-N 1 1 345.462 3.829 20 30 EHEDMO C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000512152125 1043465405 /nfs/dbraw/zinc/46/54/05/1043465405.db2.gz LIRHZPFDJMMGST-HKUYNNGSSA-N 1 1 339.483 3.802 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](CCOC)c1ccccc1 ZINC000512171648 1043606975 /nfs/dbraw/zinc/60/69/75/1043606975.db2.gz YBTSLWFAKLGIRN-FQEVSTJZSA-N 1 1 329.440 3.928 20 30 EHEDMO C[N@@H+](CCCCCO)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000279485932 1044124418 /nfs/dbraw/zinc/12/44/18/1044124418.db2.gz UMYQCINOYYWJBC-UHFFFAOYSA-N 1 1 338.451 3.732 20 30 EHEDMO C=C(C)C[N@H+](CCCc1cccc(OC)c1)Cc1ccc(CO)o1 ZINC000512215498 1044191801 /nfs/dbraw/zinc/19/18/01/1044191801.db2.gz WHMINRFFNOZJJG-UHFFFAOYSA-N 1 1 329.440 3.791 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(SC(F)F)cc2)n1 ZINC000279663852 1044381909 /nfs/dbraw/zinc/38/19/09/1044381909.db2.gz DESYFOWPYJZVLR-UHFFFAOYSA-N 1 1 335.423 3.853 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(SC(F)F)cc2)n1 ZINC000279663852 1044381920 /nfs/dbraw/zinc/38/19/20/1044381920.db2.gz DESYFOWPYJZVLR-UHFFFAOYSA-N 1 1 335.423 3.853 20 30 EHEDMO COc1cccc(NC(=[NH2+])NCC(C)(C)N[C@H](C)c2ccccc2)c1 ZINC000178567609 1044626441 /nfs/dbraw/zinc/62/64/41/1044626441.db2.gz JILVDLOGBNXHKN-OAHLLOKOSA-N 1 1 340.471 3.551 20 30 EHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccccc3)o2)c1 ZINC000075588014 1126736351 /nfs/dbraw/zinc/73/63/51/1126736351.db2.gz NLQZHFCNHVLHNS-SFHVURJKSA-N 1 1 330.391 3.945 20 30 EHEDMO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1nccs1 ZINC000185058851 1126747616 /nfs/dbraw/zinc/74/76/16/1126747616.db2.gz WIMHPCRMQJISTM-DIODGJHASA-N 1 1 348.516 3.503 20 30 EHEDMO C#CCC(C)(C)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000185077322 1126749343 /nfs/dbraw/zinc/74/93/43/1126749343.db2.gz NGNJXOHHMKECKQ-UHFFFAOYSA-N 1 1 334.463 3.534 20 30 EHEDMO CC(C)CC[N@H+](CCC#N)CCCc1nc(-c2cccs2)no1 ZINC000072690966 1126854232 /nfs/dbraw/zinc/85/42/32/1126854232.db2.gz BMJLNSOAPDVXGU-UHFFFAOYSA-N 1 1 332.473 3.992 20 30 EHEDMO C=CCC[C@@H](NC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC000623785758 1127162450 /nfs/dbraw/zinc/16/24/50/1127162450.db2.gz HRVBTYRHKZUBRL-IEBWSBKVSA-N 1 1 329.488 3.725 20 30 EHEDMO C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001299259180 1127165464 /nfs/dbraw/zinc/16/54/64/1127165464.db2.gz KZKMUYUZEBQCPV-YADHBBJMSA-N 1 1 348.490 3.955 20 30 EHEDMO COc1cc(C[NH2+]C[C@@H](C)C#N)ccc1OCc1ccc(F)cc1 ZINC000183817689 1127387636 /nfs/dbraw/zinc/38/76/36/1127387636.db2.gz FVOUJFKDHDTHCB-AWEZNQCLSA-N 1 1 328.387 3.663 20 30 EHEDMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1Cl ZINC000338587322 1127867370 /nfs/dbraw/zinc/86/73/70/1127867370.db2.gz JNTQRYLTPPFFKT-ALOPSCKCSA-N 1 1 340.858 3.856 20 30 EHEDMO CCc1ccc(C[NH+]2CCN(Cc3cccc(C#N)c3F)CC2)s1 ZINC000552828073 1127987837 /nfs/dbraw/zinc/98/78/37/1127987837.db2.gz GKYXVQRFMKJEJX-UHFFFAOYSA-N 1 1 343.471 3.639 20 30 EHEDMO COc1cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)ccc1C#N ZINC000282214193 1128087490 /nfs/dbraw/zinc/08/74/90/1128087490.db2.gz HNVLOPBDFQTPJY-DLBZAZTESA-N 1 1 342.464 3.716 20 30 EHEDMO N#Cc1cc(Cl)ccc1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000301208533 1128578364 /nfs/dbraw/zinc/57/83/64/1128578364.db2.gz SVWCWMHHRKIQGF-UHFFFAOYSA-N 1 1 341.842 3.656 20 30 EHEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1nc(C(F)(F)F)ccc1C#N ZINC000301259401 1128580970 /nfs/dbraw/zinc/58/09/70/1128580970.db2.gz FBARJPZCJITJNI-XQQFMLRXSA-N 1 1 340.393 3.750 20 30 EHEDMO N#Cc1cccc(Cl)c1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000301359648 1128587334 /nfs/dbraw/zinc/58/73/34/1128587334.db2.gz NMVCPXRUEGSNCN-UHFFFAOYSA-N 1 1 341.842 3.656 20 30 EHEDMO N#Cc1ccc(N2CCC(Nc3cc[nH+]c4ccsc43)CC2)nc1 ZINC000301444556 1128591885 /nfs/dbraw/zinc/59/18/85/1128591885.db2.gz YYWWUPZKTQCKLZ-UHFFFAOYSA-N 1 1 335.436 3.644 20 30 EHEDMO CC(C)C[N@H+]1CC[C@H](CNc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000301608016 1128597964 /nfs/dbraw/zinc/59/79/64/1128597964.db2.gz OHOZNZYTDZYUNH-CYBMUJFWSA-N 1 1 325.378 3.967 20 30 EHEDMO C[N@H+]1CC[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)[C@H]1c1ccccc1 ZINC000301829275 1128607598 /nfs/dbraw/zinc/60/75/98/1128607598.db2.gz GTXOJTDYDOTJDA-GDBMZVCRSA-N 1 1 346.356 3.829 20 30 EHEDMO C[N@H+]1CC[C@H](Nc2ccc3cc(C#N)ccc3n2)[C@H]1c1ccccc1 ZINC000302821034 1128649951 /nfs/dbraw/zinc/64/99/51/1128649951.db2.gz JZKFYDRJFWYACQ-PZJWPPBQSA-N 1 1 328.419 3.964 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)c(F)c1 ZINC000303984920 1128711861 /nfs/dbraw/zinc/71/18/61/1128711861.db2.gz HVQOKEHYAKPRMU-FQEVSTJZSA-N 1 1 342.389 3.782 20 30 EHEDMO C[C@@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000109783190 1128751046 /nfs/dbraw/zinc/75/10/46/1128751046.db2.gz JAWKBRAOFUZJOD-LBPRGKRZSA-N 1 1 343.814 3.549 20 30 EHEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000109783190 1128751049 /nfs/dbraw/zinc/75/10/49/1128751049.db2.gz JAWKBRAOFUZJOD-LBPRGKRZSA-N 1 1 343.814 3.549 20 30 EHEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000073458436 1128768325 /nfs/dbraw/zinc/76/83/25/1128768325.db2.gz LNMAGNZEFOETFM-ZDUSSCGKSA-N 1 1 343.377 3.858 20 30 EHEDMO C=CC(C)(C)CCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001670613494 1120090322 /nfs/dbraw/zinc/09/03/22/1120090322.db2.gz CGQTYWMTJXCEAD-ZWKOTPCHSA-N 1 1 347.478 3.863 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000595876143 1120362587 /nfs/dbraw/zinc/36/25/87/1120362587.db2.gz DTMWNDUOVBMZKO-CRAIPNDOSA-N 1 1 333.435 3.547 20 30 EHEDMO N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000309667505 1128911646 /nfs/dbraw/zinc/91/16/46/1128911646.db2.gz QLWDGQHIXHJWRS-QGZVFWFLSA-N 1 1 325.481 3.622 20 30 EHEDMO N#Cc1ccc(C[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000309667505 1128911652 /nfs/dbraw/zinc/91/16/52/1128911652.db2.gz QLWDGQHIXHJWRS-QGZVFWFLSA-N 1 1 325.481 3.622 20 30 EHEDMO C[C@H]1[C@@H](Nc2nccc(C#N)c2Cl)CC[N@H+]1Cc1ccccc1 ZINC000309916778 1128918146 /nfs/dbraw/zinc/91/81/46/1128918146.db2.gz UNSNOTAUOXUFGN-BBRMVZONSA-N 1 1 326.831 3.682 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000494404644 1120551023 /nfs/dbraw/zinc/55/10/23/1120551023.db2.gz KMVWZUYVVCDNFW-QXAKKESOSA-N 1 1 327.472 3.572 20 30 EHEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000609201493 1120556038 /nfs/dbraw/zinc/55/60/38/1120556038.db2.gz JHSFATKMFZJEBB-INIZCTEOSA-N 1 1 335.407 3.549 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272194943 1120562790 /nfs/dbraw/zinc/56/27/90/1120562790.db2.gz CBFKOSPYYIMJIA-PXNSSMCTSA-N 1 1 347.462 3.507 20 30 EHEDMO C=CC[N@@H+](C)CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000494709300 1120737376 /nfs/dbraw/zinc/73/73/76/1120737376.db2.gz NPWVBEVMOUWSHJ-IBGZPJMESA-N 1 1 328.843 3.663 20 30 EHEDMO C=CC[N@H+](C)CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000494709300 1120737380 /nfs/dbraw/zinc/73/73/80/1120737380.db2.gz NPWVBEVMOUWSHJ-IBGZPJMESA-N 1 1 328.843 3.663 20 30 EHEDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2ccc(OCC#N)cc2)cc1 ZINC000761740866 1120864346 /nfs/dbraw/zinc/86/43/46/1120864346.db2.gz UUVCGAOPIIWTTK-KRWDZBQOSA-N 1 1 338.451 3.908 20 30 EHEDMO N#Cc1cc2c(nc1N[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000310468796 1128945577 /nfs/dbraw/zinc/94/55/77/1128945577.db2.gz LDUFMLOXFXPHQC-LJQANCHMSA-N 1 1 332.451 3.518 20 30 EHEDMO C=CC[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000494998944 1120925780 /nfs/dbraw/zinc/92/57/80/1120925780.db2.gz NKHYAHVEGVHXNO-NSHGMRRFSA-N 1 1 328.500 3.831 20 30 EHEDMO CCOc1ccc(O)c(/C=N/CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000914701890 1120955991 /nfs/dbraw/zinc/95/59/91/1120955991.db2.gz QVKDZAFDRLDDLD-PXLXIMEGSA-N 1 1 338.451 3.658 20 30 EHEDMO C=CCN(Cc1ccccc1F)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000303926673 1121194991 /nfs/dbraw/zinc/19/49/91/1121194991.db2.gz WREWNRSGALVFPG-SFHVURJKSA-N 1 1 347.478 3.788 20 30 EHEDMO COc1ccc(O)c(/C=N/Cc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000915271241 1121292152 /nfs/dbraw/zinc/29/21/52/1121292152.db2.gz PPDCGKVIOHGMGF-FYJGNVAPSA-N 1 1 326.440 3.860 20 30 EHEDMO Cc1cc(F)cc2c1ncc(C#N)c2N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000443956987 1121534244 /nfs/dbraw/zinc/53/42/44/1121534244.db2.gz CKXJXCNUPRDRIL-AWEZNQCLSA-N 1 1 349.413 3.672 20 30 EHEDMO C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000032489963 1121534701 /nfs/dbraw/zinc/53/47/01/1121534701.db2.gz CLVUBNKAPJGLNN-OAHLLOKOSA-N 1 1 331.435 3.503 20 30 EHEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000032489963 1121534705 /nfs/dbraw/zinc/53/47/05/1121534705.db2.gz CLVUBNKAPJGLNN-OAHLLOKOSA-N 1 1 331.435 3.503 20 30 EHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC(C)(C)C#N)c1 ZINC000348810009 1122046723 /nfs/dbraw/zinc/04/67/23/1122046723.db2.gz YVLFOFUUBIJPDR-UHFFFAOYSA-N 1 1 339.443 3.726 20 30 EHEDMO CN(C[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1)C(=O)OC(C)(C)C ZINC000496296624 1122047154 /nfs/dbraw/zinc/04/71/54/1122047154.db2.gz SETAIUAZCLQCOS-MRXNPFEDSA-N 1 1 337.508 3.895 20 30 EHEDMO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(C(C)(C)C)cc1 ZINC000032831987 1122141947 /nfs/dbraw/zinc/14/19/47/1122141947.db2.gz BURPKMRMAJISIP-UHFFFAOYSA-N 1 1 341.499 3.759 20 30 EHEDMO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(C(C)(C)C)cc1 ZINC000032831987 1122141951 /nfs/dbraw/zinc/14/19/51/1122141951.db2.gz BURPKMRMAJISIP-UHFFFAOYSA-N 1 1 341.499 3.759 20 30 EHEDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763412670 1122232937 /nfs/dbraw/zinc/23/29/37/1122232937.db2.gz HGMKXNGQZXCABM-LEWJYISDSA-N 1 1 340.442 3.930 20 30 EHEDMO C#CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000917117490 1122511784 /nfs/dbraw/zinc/51/17/84/1122511784.db2.gz JRYHLHSTBRUDEY-GOSISDBHSA-N 1 1 336.391 3.726 20 30 EHEDMO C#CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000917117490 1122511789 /nfs/dbraw/zinc/51/17/89/1122511789.db2.gz JRYHLHSTBRUDEY-GOSISDBHSA-N 1 1 336.391 3.726 20 30 EHEDMO CC[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497599339 1122605061 /nfs/dbraw/zinc/60/50/61/1122605061.db2.gz APHBGWDESGUTND-SJORKVTESA-N 1 1 329.488 3.834 20 30 EHEDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000556058187 1122796815 /nfs/dbraw/zinc/79/68/15/1122796815.db2.gz ZGOIXQRUHOYFQF-MRXNPFEDSA-N 1 1 346.434 3.980 20 30 EHEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000229687148 1122820173 /nfs/dbraw/zinc/82/01/73/1122820173.db2.gz PHKJTOAPXGBGGL-QMMMGPOBSA-N 1 1 337.139 3.597 20 30 EHEDMO C#CCNC(=O)C[N@@H+](Cc1ccc(-c2ccccc2F)s1)C(C)C ZINC000920090024 1123283315 /nfs/dbraw/zinc/28/33/15/1123283315.db2.gz FMHMVRINFYVYSH-UHFFFAOYSA-N 1 1 344.455 3.514 20 30 EHEDMO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000920486177 1123374984 /nfs/dbraw/zinc/37/49/84/1123374984.db2.gz ZVGFHAUSNYVAPY-MRXNPFEDSA-N 1 1 343.500 3.740 20 30 EHEDMO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000920486177 1123374987 /nfs/dbraw/zinc/37/49/87/1123374987.db2.gz ZVGFHAUSNYVAPY-MRXNPFEDSA-N 1 1 343.500 3.740 20 30 EHEDMO CCCCCCCCC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000921086985 1123463217 /nfs/dbraw/zinc/46/32/17/1123463217.db2.gz DIFSVVXRSLQKSK-CEXWTWQISA-N 1 1 338.536 3.837 20 30 EHEDMO CN(C(=O)C[N@@H+]1CCCCC[C@@H]1c1ccco1)C1(C#N)CCCCC1 ZINC000609916242 1123692006 /nfs/dbraw/zinc/69/20/06/1123692006.db2.gz OWXRDIVDGHLNSR-QGZVFWFLSA-N 1 1 343.471 3.882 20 30 EHEDMO CN(C(=O)C[N@H+]1CCCCC[C@@H]1c1ccco1)C1(C#N)CCCCC1 ZINC000609916242 1123692009 /nfs/dbraw/zinc/69/20/09/1123692009.db2.gz OWXRDIVDGHLNSR-QGZVFWFLSA-N 1 1 343.471 3.882 20 30 EHEDMO Cc1cc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000488266316 1123699091 /nfs/dbraw/zinc/69/90/91/1123699091.db2.gz SFCCRWUUHWCMIJ-AVRDEDQJSA-N 1 1 333.479 3.867 20 30 EHEDMO Cc1cc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000488266316 1123699097 /nfs/dbraw/zinc/69/90/97/1123699097.db2.gz SFCCRWUUHWCMIJ-AVRDEDQJSA-N 1 1 333.479 3.867 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+](CC1CCCCC1)C1CC1 ZINC000610132806 1123739258 /nfs/dbraw/zinc/73/92/58/1123739258.db2.gz JJTKEMYKKUHFEZ-UHFFFAOYSA-N 1 1 328.456 3.990 20 30 EHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H](O)COc1ccccc1C ZINC000615353015 1123784307 /nfs/dbraw/zinc/78/43/07/1123784307.db2.gz UWGLXINAQJTOGJ-SFHVURJKSA-N 1 1 329.415 3.562 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)COc1ccccc1C ZINC000615353015 1123784311 /nfs/dbraw/zinc/78/43/11/1123784311.db2.gz UWGLXINAQJTOGJ-SFHVURJKSA-N 1 1 329.415 3.562 20 30 EHEDMO CC[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000179618543 1123809315 /nfs/dbraw/zinc/80/93/15/1123809315.db2.gz IFIVZQHJULSUHC-QGZVFWFLSA-N 1 1 329.350 3.516 20 30 EHEDMO C#CCCCCCC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000780596482 1123924863 /nfs/dbraw/zinc/92/48/63/1123924863.db2.gz LIWGCGZQVQGEMA-LJQANCHMSA-N 1 1 326.484 3.693 20 30 EHEDMO C#CCCCCCC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000780596481 1123924934 /nfs/dbraw/zinc/92/49/34/1123924934.db2.gz LIWGCGZQVQGEMA-IBGZPJMESA-N 1 1 326.484 3.693 20 30 EHEDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000068974606 1124073813 /nfs/dbraw/zinc/07/38/13/1124073813.db2.gz XRLXFVWOXORPRB-QGZVFWFLSA-N 1 1 347.462 3.685 20 30 EHEDMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC2CCC(C)(C#N)CC2)C1 ZINC000453200542 1129174141 /nfs/dbraw/zinc/17/41/41/1129174141.db2.gz ZFCOXSDSTDSHAR-UHFFFAOYSA-N 1 1 341.499 3.700 20 30 EHEDMO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)c1cc2ccccc2o1 ZINC000250608207 1124822801 /nfs/dbraw/zinc/82/28/01/1124822801.db2.gz RKMOGOJDMHIXOY-QRWLVFNGSA-N 1 1 341.455 3.870 20 30 EHEDMO C[C@H]([NH2+]CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181556812 1124936475 /nfs/dbraw/zinc/93/64/75/1124936475.db2.gz ROBOWZWZRDFVJG-KURKYZTESA-N 1 1 343.515 3.996 20 30 EHEDMO CC(C)[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(F)cc1F ZINC000181646730 1124998534 /nfs/dbraw/zinc/99/85/34/1124998534.db2.gz CAIWIQAAORSWEF-MRXNPFEDSA-N 1 1 349.406 3.823 20 30 EHEDMO C[C@@H]([NH2+]Cc1nccn1CCc1ccccc1)c1ccc(C#N)cc1 ZINC000181868877 1125071669 /nfs/dbraw/zinc/07/16/69/1125071669.db2.gz JUUGGDQTXHEBOU-QGZVFWFLSA-N 1 1 330.435 3.848 20 30 EHEDMO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)c2cncnc2)cc1Cl ZINC000619754524 1125395184 /nfs/dbraw/zinc/39/51/84/1125395184.db2.gz BYMXXPQTBHYWQY-LJQANCHMSA-N 1 1 334.810 3.881 20 30 EHEDMO C=C(C)C[C@H](C)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000466414496 1129432607 /nfs/dbraw/zinc/43/26/07/1129432607.db2.gz AXSIMCJFLFTLCQ-GVDBMIGSSA-N 1 1 330.472 3.837 20 30 EHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@H](C)C2)c1C#N ZINC000261382977 1129521166 /nfs/dbraw/zinc/52/11/66/1129521166.db2.gz HAAWUPVMFPWNAN-CQSZACIVSA-N 1 1 342.487 3.762 20 30 EHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](C)C2)c1C#N ZINC000261382977 1129521170 /nfs/dbraw/zinc/52/11/70/1129521170.db2.gz HAAWUPVMFPWNAN-CQSZACIVSA-N 1 1 342.487 3.762 20 30 EHEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2cnc3ccc(C#N)cn23)cc1 ZINC000093772127 1129602440 /nfs/dbraw/zinc/60/24/40/1129602440.db2.gz TYJQPHHNDZGZIR-MRXNPFEDSA-N 1 1 348.450 3.525 20 30 EHEDMO C[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(Cl)c(F)c1 ZINC000093819215 1129604077 /nfs/dbraw/zinc/60/40/77/1129604077.db2.gz MEGZOPPOINBTQA-UHFFFAOYSA-N 1 1 328.778 3.630 20 30 EHEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(Cl)c(F)c1 ZINC000093819215 1129604080 /nfs/dbraw/zinc/60/40/80/1129604080.db2.gz MEGZOPPOINBTQA-UHFFFAOYSA-N 1 1 328.778 3.630 20 30 EHEDMO CC[N@@H+](CC(=O)NC1CCC(C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125770546 1129714251 /nfs/dbraw/zinc/71/42/51/1129714251.db2.gz YWFCZZFKXXNNBY-WUJZJPHMSA-N 1 1 327.472 3.636 20 30 EHEDMO C[C@H]1C[C@H]1[N@H+]1CCN(Cc2ccccc2C(C)(C)C#N)C[C@@H](C)C1 ZINC000429041496 1129716302 /nfs/dbraw/zinc/71/63/02/1129716302.db2.gz PMWJQVBXTSRYQQ-FUHIMQAGSA-N 1 1 325.500 3.650 20 30 EHEDMO C[C@H]1C[C@H]1N1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H](C)C1 ZINC000429041496 1129716304 /nfs/dbraw/zinc/71/63/04/1129716304.db2.gz PMWJQVBXTSRYQQ-FUHIMQAGSA-N 1 1 325.500 3.650 20 30 EHEDMO C[C@H]1C[C@H]1N1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H](C)C1 ZINC000429041496 1129716306 /nfs/dbraw/zinc/71/63/06/1129716306.db2.gz PMWJQVBXTSRYQQ-FUHIMQAGSA-N 1 1 325.500 3.650 20 30 EHEDMO C[C@H]([NH2+]CC1CCC(C#N)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000282419619 1129770168 /nfs/dbraw/zinc/77/01/68/1129770168.db2.gz SNYWGCDOGRVJFI-OXKPJDFFSA-N 1 1 325.500 3.817 20 30 EHEDMO COc1ccc(OC(F)F)c(C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000131181218 1129774036 /nfs/dbraw/zinc/77/40/36/1129774036.db2.gz VYIZQBYHAYSNQO-UHFFFAOYSA-N 1 1 332.350 3.800 20 30 EHEDMO COc1ccc(OC(F)F)c(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000131181218 1129774038 /nfs/dbraw/zinc/77/40/38/1129774038.db2.gz VYIZQBYHAYSNQO-UHFFFAOYSA-N 1 1 332.350 3.800 20 30 EHEDMO Cc1ccc(C#N)c(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000161864663 1129777771 /nfs/dbraw/zinc/77/77/71/1129777771.db2.gz NMZLRIUBIVMHMY-QGZVFWFLSA-N 1 1 326.488 3.743 20 30 EHEDMO COCc1ccc([C@@H]2CCC[N@H+]2CCOc2ccccc2C#N)o1 ZINC000131433383 1129796278 /nfs/dbraw/zinc/79/62/78/1129796278.db2.gz PBBVWTVOHHFDMB-KRWDZBQOSA-N 1 1 326.396 3.514 20 30 EHEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246428769 1130380487 /nfs/dbraw/zinc/38/04/87/1130380487.db2.gz CNYZVSUBCJZEOM-IAGOWNOFSA-N 1 1 342.464 3.587 20 30 EHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000174744366 1130381943 /nfs/dbraw/zinc/38/19/43/1130381943.db2.gz HVYJFCPTZPZKAB-SFHVURJKSA-N 1 1 346.352 3.724 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cc2ccccc2o1 ZINC000175189425 1130412013 /nfs/dbraw/zinc/41/20/13/1130412013.db2.gz GRRPIWHOQQBPPH-CQSZACIVSA-N 1 1 333.391 3.763 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cc2ccccc2o1 ZINC000175189425 1130412018 /nfs/dbraw/zinc/41/20/18/1130412018.db2.gz GRRPIWHOQQBPPH-CQSZACIVSA-N 1 1 333.391 3.763 20 30 EHEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1Oc1cccc(C)c1 ZINC000730285698 1130693368 /nfs/dbraw/zinc/69/33/68/1130693368.db2.gz FHOZRPGANBOUDF-FQEVSTJZSA-N 1 1 348.446 3.501 20 30 EHEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1Oc1cccc(C)c1 ZINC000730285698 1130693370 /nfs/dbraw/zinc/69/33/70/1130693370.db2.gz FHOZRPGANBOUDF-FQEVSTJZSA-N 1 1 348.446 3.501 20 30 EHEDMO C[N@@H+](CCOc1cccc(Cl)c1)Cc1ccc(OCC#N)cc1 ZINC000731210187 1130776721 /nfs/dbraw/zinc/77/67/21/1130776721.db2.gz BNSSHKLMEQRMKG-UHFFFAOYSA-N 1 1 330.815 3.753 20 30 EHEDMO C[N@@H+](CCCOc1ccc(F)cc1)Cc1ccc(OCC#N)cc1 ZINC000731211649 1130776813 /nfs/dbraw/zinc/77/68/13/1130776813.db2.gz SMQOFMRFFKKTFW-UHFFFAOYSA-N 1 1 328.387 3.629 20 30 EHEDMO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347957005 1131104981 /nfs/dbraw/zinc/10/49/81/1131104981.db2.gz LYCCLKPMDFMZBO-HNNXBMFYSA-N 1 1 349.409 3.814 20 30 EHEDMO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347957005 1131104984 /nfs/dbraw/zinc/10/49/84/1131104984.db2.gz LYCCLKPMDFMZBO-HNNXBMFYSA-N 1 1 349.409 3.814 20 30 EHEDMO C#CCOc1ccccc1C[NH2+]Cc1ccc(OC)cc1OC(F)F ZINC000734159763 1131204806 /nfs/dbraw/zinc/20/48/06/1131204806.db2.gz XNSNKBRLPMPSTM-UHFFFAOYSA-N 1 1 347.361 3.598 20 30 EHEDMO C[C@H]1CC(N=Nc2ccc(Cl)nn2)CC[N@H+]1Cc1ccccc1 ZINC000734297099 1131215694 /nfs/dbraw/zinc/21/56/94/1131215694.db2.gz FIVJRYPUXZVVNV-ZDUSSCGKSA-N 1 1 329.835 3.582 20 30 EHEDMO CC[N@H+]1CC[C@H](N(C)Cc2cc(Cl)ccc2OCC#N)C[C@H]1C ZINC000740883936 1131552853 /nfs/dbraw/zinc/55/28/53/1131552853.db2.gz QRYBKFXILYKUAD-PBHICJAKSA-N 1 1 335.879 3.547 20 30 EHEDMO CC(C)COCC[C@@H](C)[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001172476924 1131737889 /nfs/dbraw/zinc/73/78/89/1131737889.db2.gz UFOYWHBASRJRRN-MJGOQNOKSA-N 1 1 330.472 3.853 20 30 EHEDMO C[C@@H](CCCC#N)[N@H+]1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC001172494478 1131757417 /nfs/dbraw/zinc/75/74/17/1131757417.db2.gz HIZVOSHVUXJGAG-HNNXBMFYSA-N 1 1 338.430 3.766 20 30 EHEDMO C[C@@H](CCCC#N)[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001172499110 1131760007 /nfs/dbraw/zinc/76/00/07/1131760007.db2.gz VARUBOYETQCPHD-HNNXBMFYSA-N 1 1 333.863 3.570 20 30 EHEDMO C[C@H](CCCC#N)[NH+]1CCN(c2c(Cl)cncc2Cl)CC1 ZINC001172499541 1131760529 /nfs/dbraw/zinc/76/05/29/1131760529.db2.gz DTXPILVXEXEBHI-GFCCVEGCSA-N 1 1 327.259 3.593 20 30 EHEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@H]2OCC[C@@]2(C(=O)NC)C1 ZINC001172511094 1131763918 /nfs/dbraw/zinc/76/39/18/1131763918.db2.gz MSTWAEIALHWCSA-NLWGTHIKSA-N 1 1 338.536 3.743 20 30 EHEDMO C[C@H](CCCC#N)[N@@H+](C1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001172509994 1131763988 /nfs/dbraw/zinc/76/39/88/1131763988.db2.gz UHXNLGVIRIJKFS-NVXWUHKLSA-N 1 1 335.492 3.933 20 30 EHEDMO CCCC[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001172647626 1131799615 /nfs/dbraw/zinc/79/96/15/1131799615.db2.gz DXUQZSDVCITRHJ-GVDBMIGSSA-N 1 1 335.492 3.790 20 30 EHEDMO CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001172647626 1131799620 /nfs/dbraw/zinc/79/96/20/1131799620.db2.gz DXUQZSDVCITRHJ-GVDBMIGSSA-N 1 1 335.492 3.790 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172681447 1131817199 /nfs/dbraw/zinc/81/71/99/1131817199.db2.gz LPYSSVGSJIJJMK-OAQYLSRUSA-N 1 1 334.463 3.866 20 30 EHEDMO C[C@@H]1CC[C@@H]([N@@H+](CCC#N)C2CCCC2)CN1C(=O)OC(C)(C)C ZINC001173067555 1131954499 /nfs/dbraw/zinc/95/44/99/1131954499.db2.gz BRKCWCUWHWUFMS-NVXWUHKLSA-N 1 1 335.492 3.933 20 30 EHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1CCC(OCCC)CC1)C2 ZINC001173097549 1131954648 /nfs/dbraw/zinc/95/46/48/1131954648.db2.gz CEQZKDYATHICOJ-GHBBCFCZSA-N 1 1 337.504 3.550 20 30 EHEDMO CC[C@@H]1CC[C@H]([N@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)C1 ZINC001173280762 1132041190 /nfs/dbraw/zinc/04/11/90/1132041190.db2.gz QEULFVBVAXHLEJ-MMOPVJDHSA-N 1 1 337.467 3.566 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C1CCC(CC#N)CC1 ZINC001173330846 1132049037 /nfs/dbraw/zinc/04/90/37/1132049037.db2.gz GDTIVIDWRILQKJ-GQGLESIBSA-N 1 1 333.476 3.543 20 30 EHEDMO N#CCC1CCC([N@@H+]2CCC[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001173331031 1132049312 /nfs/dbraw/zinc/04/93/12/1132049312.db2.gz JZTNXPFYSSTFSG-KVZIAJEVSA-N 1 1 326.440 3.667 20 30 EHEDMO N#CCC1CCC(N[C@@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC001173330973 1132049521 /nfs/dbraw/zinc/04/95/21/1132049521.db2.gz YKXKUOVZSBGLLB-MOQPWLNLSA-N 1 1 336.277 3.511 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2C2CCC(CC#N)CC2)C1 ZINC001173332311 1132050922 /nfs/dbraw/zinc/05/09/22/1132050922.db2.gz ZDKNWFHTSNUPBU-UHYCVJNDSA-N 1 1 347.503 3.934 20 30 EHEDMO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CCC(CC#N)CC1)CCO2 ZINC001173335622 1132052174 /nfs/dbraw/zinc/05/21/74/1132052174.db2.gz SRYZLIVPHFNMEX-CQJJOKNBSA-N 1 1 332.488 3.533 20 30 EHEDMO CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C1CCC(CC#N)CC1 ZINC001173338270 1132054344 /nfs/dbraw/zinc/05/43/44/1132054344.db2.gz CFBLSXWLTPZLOZ-AQFXKWCLSA-N 1 1 335.492 3.790 20 30 EHEDMO CCOC(=O)C[N@H+](Cc1ccc(OC)cc1)C1CCC(CC#N)CC1 ZINC001173338627 1132054647 /nfs/dbraw/zinc/05/46/47/1132054647.db2.gz GDXUUFDEBNNKSH-UHFFFAOYSA-N 1 1 344.455 3.533 20 30 EHEDMO CCOC(=O)C[N@@H+](Cc1ccc(OC)cc1)C1CCC(CC#N)CC1 ZINC001173338627 1132054654 /nfs/dbraw/zinc/05/46/54/1132054654.db2.gz GDXUUFDEBNNKSH-UHFFFAOYSA-N 1 1 344.455 3.533 20 30 EHEDMO CSCC[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC(C)(C)C ZINC001173586010 1132095636 /nfs/dbraw/zinc/09/56/36/1132095636.db2.gz CSRCLNMGXSABNZ-UUCFBXCCSA-N 1 1 326.506 3.512 20 30 EHEDMO CC1(C#N)CCC([NH2+]C2(C(=O)OCc3ccccc3)CCC2)CC1 ZINC001173588159 1132096481 /nfs/dbraw/zinc/09/64/81/1132096481.db2.gz BBDWBLQVLUGLJZ-UHFFFAOYSA-N 1 1 326.440 3.715 20 30 EHEDMO CC(C)(C)OC(=O)N[C@H]1CCCC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173594116 1132098680 /nfs/dbraw/zinc/09/86/80/1132098680.db2.gz RYKFJRVHRUXEEH-LYGPFTKASA-N 1 1 335.492 3.838 20 30 EHEDMO C[C@@H]1CC([N@H+]2CCC[C@H](CC#N)C2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173683332 1132120760 /nfs/dbraw/zinc/12/07/60/1132120760.db2.gz ZPGNEPGTPCHOOQ-BZUAXINKSA-N 1 1 335.492 3.789 20 30 EHEDMO N#Cc1cnn(-c2cccc(Cl)c2)c1Nc1ccc2[nH+]ccn2c1 ZINC001174277985 1132310253 /nfs/dbraw/zinc/31/02/53/1132310253.db2.gz GLRLHPAVLUVQOK-UHFFFAOYSA-N 1 1 334.770 3.789 20 30 EHEDMO Cc1cc(C#N)cc(C#N)c1NC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174394774 1132328668 /nfs/dbraw/zinc/32/86/68/1132328668.db2.gz MRBJWOSKJSGXRH-UHFFFAOYSA-N 1 1 328.419 3.940 20 30 EHEDMO N#Cc1ccc(Nc2ccc(C[NH+]3CCOCC3)cc2)c(Cl)c1 ZINC001174446877 1132362738 /nfs/dbraw/zinc/36/27/38/1132362738.db2.gz ZFLLGWCBDGYRGS-UHFFFAOYSA-N 1 1 327.815 3.787 20 30 EHEDMO C=C(Cl)CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000746282174 1132398540 /nfs/dbraw/zinc/39/85/40/1132398540.db2.gz MZYQEMCLZJILCT-UHFFFAOYSA-N 1 1 328.843 3.558 20 30 EHEDMO CCOc1cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)ccc1F ZINC001175050811 1132550599 /nfs/dbraw/zinc/55/05/99/1132550599.db2.gz NZXWYYLWFUGYIB-UHFFFAOYSA-N 1 1 331.416 3.889 20 30 EHEDMO Fc1cccc(O[C@@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)c1 ZINC001175427365 1132665847 /nfs/dbraw/zinc/66/58/47/1132665847.db2.gz PCHULFHABSPWHW-GOSISDBHSA-N 1 1 329.802 3.984 20 30 EHEDMO Fc1cccc(O[C@@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)c1 ZINC001175427365 1132665850 /nfs/dbraw/zinc/66/58/50/1132665850.db2.gz PCHULFHABSPWHW-GOSISDBHSA-N 1 1 329.802 3.984 20 30 EHEDMO C[C@]1(Cc2ccc(F)c(F)c2)CCC[N@H+]1Cc1ccncc1C#N ZINC001175492208 1132682632 /nfs/dbraw/zinc/68/26/32/1132682632.db2.gz OLKXDCRJDFKTQB-LJQANCHMSA-N 1 1 327.378 3.829 20 30 EHEDMO CC[N@H+]([C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCCC[C@@H]1C ZINC001169284330 1132715441 /nfs/dbraw/zinc/71/54/41/1132715441.db2.gz PPWRYYOZBOQQQX-FFZOFVMBSA-N 1 1 339.483 3.954 20 30 EHEDMO CC[N@H+]([C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCCC[C@H]1C ZINC001169284331 1132715805 /nfs/dbraw/zinc/71/58/05/1132715805.db2.gz PPWRYYOZBOQQQX-LSTHTHJFSA-N 1 1 339.483 3.954 20 30 EHEDMO N#Cc1c(Cl)cccc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175860090 1132785412 /nfs/dbraw/zinc/78/54/12/1132785412.db2.gz IPENFCOWYAMQAZ-UHFFFAOYSA-N 1 1 327.815 3.787 20 30 EHEDMO CC(=O)N1CC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H](C)c2ccccc2)C1 ZINC001169560616 1132785894 /nfs/dbraw/zinc/78/58/94/1132785894.db2.gz OWEATZNIMAOPBK-VGSWGCGISA-N 1 1 347.462 3.742 20 30 EHEDMO C#CCC[N@@H+](Cc1ccc(C)cc1Br)C[C@H]1CCCO1 ZINC001169853732 1132876694 /nfs/dbraw/zinc/87/66/94/1132876694.db2.gz IOHMTPPBMDDWAH-MRXNPFEDSA-N 1 1 336.273 3.762 20 30 EHEDMO C#CCC[N@H+](Cc1ccc(C)cc1Br)C[C@H]1CCCO1 ZINC001169853732 1132876702 /nfs/dbraw/zinc/87/67/02/1132876702.db2.gz IOHMTPPBMDDWAH-MRXNPFEDSA-N 1 1 336.273 3.762 20 30 EHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(C#N)c2)C1 ZINC001169862464 1132883762 /nfs/dbraw/zinc/88/37/62/1132883762.db2.gz GEPGIFIWXRYDDX-RPTUDFQQSA-N 1 1 332.875 3.973 20 30 EHEDMO CC(C)C[C@]1(CO)CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC001169929140 1132900971 /nfs/dbraw/zinc/90/09/71/1132900971.db2.gz SMESSQUBHFAMEV-SFHVURJKSA-N 1 1 339.401 3.930 20 30 EHEDMO COc1cc(C#N)ccc1C[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000766900383 1132907164 /nfs/dbraw/zinc/90/71/64/1132907164.db2.gz CEKZZRFOFNKDSI-VWKPWSFCSA-N 1 1 336.435 3.917 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000766900383 1132907167 /nfs/dbraw/zinc/90/71/67/1132907167.db2.gz CEKZZRFOFNKDSI-VWKPWSFCSA-N 1 1 336.435 3.917 20 30 EHEDMO C=CCCC[N@H+](CC)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC001176798109 1132997397 /nfs/dbraw/zinc/99/73/97/1132997397.db2.gz KWGDSTFRBFHLRA-SFHVURJKSA-N 1 1 336.426 3.744 20 30 EHEDMO Cc1cc(C#N)cc(C)c1CNc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001177464995 1133066043 /nfs/dbraw/zinc/06/60/43/1133066043.db2.gz ZGPACUSBDLIEKM-UHFFFAOYSA-N 1 1 348.494 3.535 20 30 EHEDMO C=C(Br)C[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC001177744131 1133098298 /nfs/dbraw/zinc/09/82/98/1133098298.db2.gz RWAIBXIMCIYHJJ-UHFFFAOYSA-N 1 1 340.652 3.583 20 30 EHEDMO COCC[N@@H+](Cc1cccs1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768197735 1133112258 /nfs/dbraw/zinc/11/22/58/1133112258.db2.gz MWEFWAMDIHFOJM-OAHLLOKOSA-N 1 1 330.453 3.688 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+](C)Cc2ccc(F)cc2F)cc1 ZINC000768232527 1133115414 /nfs/dbraw/zinc/11/54/14/1133115414.db2.gz DMNWZAMOIGKGHQ-UHFFFAOYSA-N 1 1 329.394 3.947 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2ccc(F)cc2F)cc1 ZINC000768232527 1133115416 /nfs/dbraw/zinc/11/54/16/1133115416.db2.gz DMNWZAMOIGKGHQ-UHFFFAOYSA-N 1 1 329.394 3.947 20 30 EHEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000768351835 1133128519 /nfs/dbraw/zinc/12/85/19/1133128519.db2.gz LEZYJHCXPUCJQV-QGZVFWFLSA-N 1 1 346.471 3.741 20 30 EHEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1c(Cl)cc(F)cc1Cl ZINC001156672506 1133183490 /nfs/dbraw/zinc/18/34/90/1133183490.db2.gz RDABMQKQZLLJKQ-UHFFFAOYSA-N 1 1 333.234 3.712 20 30 EHEDMO COc1cc(C[NH2+]Cc2nc(-c3cccs3)oc2C)ccc1C#N ZINC001178648265 1133188406 /nfs/dbraw/zinc/18/84/06/1133188406.db2.gz XKVDTVCLBRZYAE-UHFFFAOYSA-N 1 1 339.420 3.882 20 30 EHEDMO COCC[N@H+](CC#Cc1ccccc1)CCCOc1ccc(F)cc1 ZINC001179862868 1133295143 /nfs/dbraw/zinc/29/51/43/1133295143.db2.gz DXPGDEDEKGQPDD-UHFFFAOYSA-N 1 1 341.426 3.595 20 30 EHEDMO C[N@@H+](Cc1cc(C#N)cs1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000769568377 1133316012 /nfs/dbraw/zinc/31/60/12/1133316012.db2.gz YVJRWTVCQXMYBC-UHFFFAOYSA-N 1 1 337.489 3.602 20 30 EHEDMO C#CC[N@H+](Cc1ccc(NC(=O)OC(C)(C)C)nn1)C1CCCCC1 ZINC001180031277 1133319611 /nfs/dbraw/zinc/31/96/11/1133319611.db2.gz XDJZWCILJFFRHH-UHFFFAOYSA-N 1 1 344.459 3.592 20 30 EHEDMO CC(C)c1[nH+]c(C=C2CCc3[nH]c(=O)ccc3C2=O)c2ccccn21 ZINC000769614617 1133322825 /nfs/dbraw/zinc/32/28/25/1133322825.db2.gz LEPIXKOPJAHSFN-ACCUITESSA-N 1 1 333.391 3.771 20 30 EHEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1csc(C#N)c1 ZINC001180220042 1133346028 /nfs/dbraw/zinc/34/60/28/1133346028.db2.gz YKDBYMZIVDFCMK-INIZCTEOSA-N 1 1 336.464 3.943 20 30 EHEDMO C=CCSCC(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001180559567 1133391629 /nfs/dbraw/zinc/39/16/29/1133391629.db2.gz DKFJGCNTLLIEKW-IBGZPJMESA-N 1 1 344.524 3.561 20 30 EHEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC000770333030 1133406542 /nfs/dbraw/zinc/40/65/42/1133406542.db2.gz VOMCUIANRBRUKT-GOSISDBHSA-N 1 1 343.467 3.642 20 30 EHEDMO CC[C@H]1CN(Cc2cccc(F)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC001180686549 1133406977 /nfs/dbraw/zinc/40/69/77/1133406977.db2.gz HFLNTYWPWWHYPZ-IBGZPJMESA-N 1 1 337.442 3.794 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001204300198 1133501195 /nfs/dbraw/zinc/50/11/95/1133501195.db2.gz MWOGPCRCTNSDRN-QGZVFWFLSA-N 1 1 331.456 3.805 20 30 EHEDMO O=C(NCCCS)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182246892 1133600616 /nfs/dbraw/zinc/60/06/16/1133600616.db2.gz ZWHYRJDPJAQYKY-MRXNPFEDSA-N 1 1 340.920 3.693 20 30 EHEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(Br)c1O ZINC000785617670 1133732597 /nfs/dbraw/zinc/73/25/97/1133732597.db2.gz SGKDYOBNWPAKMB-MRXNPFEDSA-N 1 1 343.224 3.803 20 30 EHEDMO C=CCSCC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C[C@H](CC)CCCC ZINC001273477536 1133739394 /nfs/dbraw/zinc/73/93/94/1133739394.db2.gz FBRSVNJCGJQYAX-SQNIBIBYSA-N 1 1 338.561 3.797 20 30 EHEDMO C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2CCCC[N@H+]2CC)cc1 ZINC000774575559 1133773835 /nfs/dbraw/zinc/77/38/35/1133773835.db2.gz MDOYFMSOKYQISS-SFHVURJKSA-N 1 1 344.455 3.509 20 30 EHEDMO C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC000774575559 1133773842 /nfs/dbraw/zinc/77/38/42/1133773842.db2.gz MDOYFMSOKYQISS-SFHVURJKSA-N 1 1 344.455 3.509 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1F ZINC000774661173 1133839233 /nfs/dbraw/zinc/83/92/33/1133839233.db2.gz WLWYMHGHNSDHHE-CVEARBPZSA-N 1 1 330.428 3.847 20 30 EHEDMO N#Cc1cc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c([N+](=O)[O-])s1 ZINC001184516160 1133956352 /nfs/dbraw/zinc/95/63/52/1133956352.db2.gz MHKURVGBPUQKGX-AWEZNQCLSA-N 1 1 346.412 3.760 20 30 EHEDMO CCCCC[C@H](C)NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000746650648 1133968827 /nfs/dbraw/zinc/96/88/27/1133968827.db2.gz FCKOWNSDVDVNTL-KRWDZBQOSA-N 1 1 329.488 3.854 20 30 EHEDMO Cc1[nH+]ccn1Cc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001184754017 1133982810 /nfs/dbraw/zinc/98/28/10/1133982810.db2.gz UUGSAXHVLILHQF-UHFFFAOYSA-N 1 1 331.379 3.756 20 30 EHEDMO Cc1c(Cl)cnc(NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c1C#N ZINC001185150043 1134047468 /nfs/dbraw/zinc/04/74/68/1134047468.db2.gz ZYAHBUSDHLKDNL-CYBMUJFWSA-N 1 1 340.858 3.774 20 30 EHEDMO C[N@@H+](CCSCc1ccc(OCC#N)cc1)Cc1ccccc1 ZINC000788509458 1134135549 /nfs/dbraw/zinc/13/55/49/1134135549.db2.gz OPSIMQMPROBMQC-UHFFFAOYSA-N 1 1 326.465 3.954 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cn3ccccc3n2)c1 ZINC000788640614 1134155317 /nfs/dbraw/zinc/15/53/17/1134155317.db2.gz BLPUWZUORFCIOV-NVXWUHKLSA-N 1 1 334.423 3.866 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)CCc2cc(Cl)cc(Cl)c2)n1 ZINC000789331472 1134258000 /nfs/dbraw/zinc/25/80/00/1134258000.db2.gz ASZWLUGOQIFNOL-UHFFFAOYSA-N 1 1 336.266 3.888 20 30 EHEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000789449623 1134276252 /nfs/dbraw/zinc/27/62/52/1134276252.db2.gz ICPHANIUJUQQQB-AESZEHBQSA-N 1 1 348.450 3.590 20 30 EHEDMO COCC[N@@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)[C@@H]1CC[C@@H](C)C1 ZINC000790475615 1134422717 /nfs/dbraw/zinc/42/27/17/1134422717.db2.gz BLNGZTJTOWXNFD-VQIMIIECSA-N 1 1 338.455 3.516 20 30 EHEDMO N#Cc1cccc(C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)c1 ZINC000790513718 1134429031 /nfs/dbraw/zinc/42/90/31/1134429031.db2.gz DFCAUEYOBXSDJK-UHFFFAOYSA-N 1 1 336.826 3.746 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cn3cc(C)ccc3n2)c1 ZINC000790545269 1134438669 /nfs/dbraw/zinc/43/86/69/1134438669.db2.gz WBYDIOVCYMLMET-GOSISDBHSA-N 1 1 334.423 3.614 20 30 EHEDMO C#C[C@@H](C)[N@H+](C)Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000775182613 1134482164 /nfs/dbraw/zinc/48/21/64/1134482164.db2.gz FCMQDXLNCWFDIY-GFCCVEGCSA-N 1 1 346.272 3.705 20 30 EHEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000775182613 1134482167 /nfs/dbraw/zinc/48/21/67/1134482167.db2.gz FCMQDXLNCWFDIY-GFCCVEGCSA-N 1 1 346.272 3.705 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC001189285222 1134561513 /nfs/dbraw/zinc/56/15/13/1134561513.db2.gz LWMZKCNPKXTASH-YJBOKZPZSA-N 1 1 329.488 3.594 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1 ZINC001189259586 1134563980 /nfs/dbraw/zinc/56/39/80/1134563980.db2.gz XYONSTZLVDUJKP-MSOLQXFVSA-N 1 1 341.499 3.548 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)[C@H]1CCCO1 ZINC000775341656 1134653425 /nfs/dbraw/zinc/65/34/25/1134653425.db2.gz MSQCRIABEAASSD-GDBMZVCRSA-N 1 1 338.432 3.827 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c(Cl)c1 ZINC000792390047 1134684177 /nfs/dbraw/zinc/68/41/77/1134684177.db2.gz PTSDJZKLTCBEML-UHFFFAOYSA-N 1 1 345.805 3.789 20 30 EHEDMO C[N@@H+](CCCOc1cccc(Cl)c1)CCOc1cccc(C#N)c1 ZINC001190418017 1134696829 /nfs/dbraw/zinc/69/68/29/1134696829.db2.gz UKEOFAUUBAFFKJ-UHFFFAOYSA-N 1 1 344.842 3.991 20 30 EHEDMO C=CCC[C@H](O)C[N@@H+](Cc1cccc(Br)c1)C(C)C ZINC001190540615 1134715532 /nfs/dbraw/zinc/71/55/32/1134715532.db2.gz JKRJQWAIKKIMHX-INIZCTEOSA-N 1 1 326.278 3.987 20 30 EHEDMO CCC[N@H+](Cc1ccc(F)cc1F)C[C@@H](O)c1cccc(C#N)c1 ZINC001190604064 1134726292 /nfs/dbraw/zinc/72/62/92/1134726292.db2.gz BTNSLJFPUUMYGR-LJQANCHMSA-N 1 1 330.378 3.782 20 30 EHEDMO C#C[C@H](CC)[NH2+][C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000792638217 1134755134 /nfs/dbraw/zinc/75/51/34/1134755134.db2.gz ZJTLGNDYAZORTH-YLJYHZDGSA-N 1 1 336.435 3.767 20 30 EHEDMO COC(=O)[C@@H]1CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)[C@H]1C ZINC001170389432 1134763480 /nfs/dbraw/zinc/76/34/80/1134763480.db2.gz SGGCTOXSRMNTSD-WHMCQKABSA-N 1 1 340.467 3.664 20 30 EHEDMO N#CC1(c2ccccc2)CCC(N2CC3(C2)CC[N@@H+](CC2CC2)C3)CC1 ZINC001170381689 1134766745 /nfs/dbraw/zinc/76/67/45/1134766745.db2.gz VXFNFSNTHMCLNW-UHFFFAOYSA-N 1 1 349.522 3.808 20 30 EHEDMO CCCCCCCCNC(=O)N1CCN(C)c2[nH+]c(C)ccc2C1 ZINC001191059822 1134785046 /nfs/dbraw/zinc/78/50/46/1134785046.db2.gz KITHYMWOVWBMLN-UHFFFAOYSA-N 1 1 332.492 3.712 20 30 EHEDMO CCC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1C[C@H](OCC)C1(C)C ZINC001191099147 1134792121 /nfs/dbraw/zinc/79/21/21/1134792121.db2.gz JEKKKOQKTQATHB-MSOLQXFVSA-N 1 1 345.443 3.882 20 30 EHEDMO CCC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1C[C@H](OCC)C1(C)C ZINC001191099147 1134792126 /nfs/dbraw/zinc/79/21/26/1134792126.db2.gz JEKKKOQKTQATHB-MSOLQXFVSA-N 1 1 345.443 3.882 20 30 EHEDMO C=C(C)CC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792900374 1134816759 /nfs/dbraw/zinc/81/67/59/1134816759.db2.gz UDYPAYKTDIMAPL-UHFFFAOYSA-N 1 1 325.206 3.682 20 30 EHEDMO C=C(C)CC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792900374 1134816764 /nfs/dbraw/zinc/81/67/64/1134816764.db2.gz UDYPAYKTDIMAPL-UHFFFAOYSA-N 1 1 325.206 3.682 20 30 EHEDMO N#Cc1ccc(CC[N@H+](CCCO)[C@@H]2CCCc3ccccc32)cc1 ZINC001191305050 1134844344 /nfs/dbraw/zinc/84/43/44/1134844344.db2.gz FGCGOZKVMJQANC-JOCHJYFZSA-N 1 1 334.463 3.863 20 30 EHEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC001191743656 1134916667 /nfs/dbraw/zinc/91/66/67/1134916667.db2.gz VOWSCGDEYNSYPF-OALUTQOASA-N 1 1 330.472 3.853 20 30 EHEDMO C#C[C@H](NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccc(Cl)cc1F ZINC000804420406 1135064080 /nfs/dbraw/zinc/06/40/80/1135064080.db2.gz HIEOALBEYYYPEP-ZHRONYKTSA-N 1 1 336.838 3.531 20 30 EHEDMO COC(=O)c1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)c(F)c1 ZINC000775552607 1135073359 /nfs/dbraw/zinc/07/33/59/1135073359.db2.gz IYXRICOVVJYURM-SFHVURJKSA-N 1 1 326.371 3.747 20 30 EHEDMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2cc(OC)cc(OC)c2)CCCC1(C)C ZINC001193921170 1135204531 /nfs/dbraw/zinc/20/45/31/1135204531.db2.gz WBJCHELQJPMWJB-SFHVURJKSA-N 1 1 346.471 3.709 20 30 EHEDMO C=CCCCCCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000806004827 1135370231 /nfs/dbraw/zinc/37/02/31/1135370231.db2.gz WUUIRSJPJXVEGA-HKUYNNGSSA-N 1 1 333.520 3.781 20 30 EHEDMO C#CCOc1ccc([C@H](C)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000806173581 1135398246 /nfs/dbraw/zinc/39/82/46/1135398246.db2.gz YJISUTYBOVCRCI-KKSFZXQISA-N 1 1 340.442 3.791 20 30 EHEDMO Cc1cc(C#N)ccc1CN1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC001195904323 1135488586 /nfs/dbraw/zinc/48/85/86/1135488586.db2.gz ZBPIQZRCOPIXFU-JOCHJYFZSA-N 1 1 333.479 3.616 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC001195904323 1135488589 /nfs/dbraw/zinc/48/85/89/1135488589.db2.gz ZBPIQZRCOPIXFU-JOCHJYFZSA-N 1 1 333.479 3.616 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC001195904323 1135488592 /nfs/dbraw/zinc/48/85/92/1135488592.db2.gz ZBPIQZRCOPIXFU-JOCHJYFZSA-N 1 1 333.479 3.616 20 30 EHEDMO C=CC[C@H]1CCC[N@H+](CCCC(=O)Nc2ccccc2C(C)=O)C1 ZINC001195956162 1135500211 /nfs/dbraw/zinc/50/02/11/1135500211.db2.gz WUEVHYDJFUMNJE-KRWDZBQOSA-N 1 1 328.456 3.896 20 30 EHEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001196770996 1135613466 /nfs/dbraw/zinc/61/34/66/1135613466.db2.gz DHNNLOHUYAPFIQ-RHSMWYFYSA-N 1 1 348.874 3.679 20 30 EHEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001196770996 1135613470 /nfs/dbraw/zinc/61/34/70/1135613470.db2.gz DHNNLOHUYAPFIQ-RHSMWYFYSA-N 1 1 348.874 3.679 20 30 EHEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCCSC[C@@H]2c2ccccc2)c1 ZINC001197368400 1135686230 /nfs/dbraw/zinc/68/62/30/1135686230.db2.gz HJBBTEJVFGVUGU-WOJBJXKFSA-N 1 1 338.476 3.772 20 30 EHEDMO C[N@@H+](CCC1(C#N)CCCCC1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC001197480863 1135694436 /nfs/dbraw/zinc/69/44/36/1135694436.db2.gz FRXPZDMAVFEOSS-SFHVURJKSA-N 1 1 341.455 3.808 20 30 EHEDMO C#C[C@H]([NH2+]CC(=O)Nc1c(C(C)C)cccc1C(C)C)[C@H]1CCCO1 ZINC000775794703 1135754784 /nfs/dbraw/zinc/75/47/84/1135754784.db2.gz JMKGBYPYFOGQAS-RBUKOAKNSA-N 1 1 342.483 3.642 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1cc2ccc(SC)cc2nc1Cl)[C@H]1CCCO1 ZINC000775807684 1135762380 /nfs/dbraw/zinc/76/23/80/1135762380.db2.gz URFWDYUBAFKFEG-NVXWUHKLSA-N 1 1 346.883 3.881 20 30 EHEDMO C=CCC[C@@H]([NH2+]Cc1ncc(C2OCCO2)s1)c1ccccc1 ZINC000809628120 1135862326 /nfs/dbraw/zinc/86/23/26/1135862326.db2.gz OXRQDYBHMQBMKM-OAHLLOKOSA-N 1 1 330.453 3.986 20 30 EHEDMO C#CCOc1ccccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000809699694 1135869752 /nfs/dbraw/zinc/86/97/52/1135869752.db2.gz RZRPXVAGKJWFFN-YPAWHYETSA-N 1 1 347.458 3.703 20 30 EHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc(OC)c1O ZINC000809704495 1135875169 /nfs/dbraw/zinc/87/51/69/1135875169.db2.gz DXXWHKOEOQBNQE-UHFFFAOYSA-N 1 1 329.444 3.757 20 30 EHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000775930016 1135881233 /nfs/dbraw/zinc/88/12/33/1135881233.db2.gz ACBYMPDZMQBZKO-MRXNPFEDSA-N 1 1 348.425 3.959 20 30 EHEDMO CC1CCN(c2ccc(C[NH2+]Cc3nc(C#N)cs3)cc2)CC1 ZINC000810143897 1135927594 /nfs/dbraw/zinc/92/75/94/1135927594.db2.gz OHCBKSWYQMDECO-UHFFFAOYSA-N 1 1 326.469 3.541 20 30 EHEDMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000747626972 1136001137 /nfs/dbraw/zinc/00/11/37/1136001137.db2.gz SLFKDKHGJWBSSP-QGZVFWFLSA-N 1 1 348.874 3.633 20 30 EHEDMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000747626972 1136001141 /nfs/dbraw/zinc/00/11/41/1136001141.db2.gz SLFKDKHGJWBSSP-QGZVFWFLSA-N 1 1 348.874 3.633 20 30 EHEDMO Cc1cc(N=NCC(C)(C)C[N@@H+](C)Cc2ccccc2)nc(C)n1 ZINC000747633034 1136007712 /nfs/dbraw/zinc/00/77/12/1136007712.db2.gz KKXCVWILTSUOET-UHFFFAOYSA-N 1 1 325.460 3.649 20 30 EHEDMO CCCCCCCC[N@@H+]1C[C@H]2[C@H](CC[C@@]23N=C(C)N(CC)C3=O)C1 ZINC001201813795 1136064930 /nfs/dbraw/zinc/06/49/30/1136064930.db2.gz JMEDHMVYHYGQPE-WSTZPKSXSA-N 1 1 333.520 3.708 20 30 EHEDMO CCCCCCCC[N@H+]1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001201814965 1136065234 /nfs/dbraw/zinc/06/52/34/1136065234.db2.gz UYEZNYKRSGZMCQ-CTNGQTDRSA-N 1 1 346.515 3.907 20 30 EHEDMO CCCCCCCC[N@H+]1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001201826339 1136067971 /nfs/dbraw/zinc/06/79/71/1136067971.db2.gz SKSYGZIYKOHWQZ-HXUWFJFHSA-N 1 1 329.488 3.871 20 30 EHEDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OCc2ccccc2C(C)(C)C#N)C1 ZINC000811443933 1136087866 /nfs/dbraw/zinc/08/78/66/1136087866.db2.gz BYZJYYIJSXFNOV-FQEVSTJZSA-N 1 1 346.446 3.743 20 30 EHEDMO CN(C)c1cc(Cl)cc(Cl)c1C=[NH+]NC[C@@H]1CCSC1 ZINC000811660585 1136115664 /nfs/dbraw/zinc/11/56/64/1136115664.db2.gz QIDGJTGJPNVJRE-JTQLQIEISA-N 1 1 332.300 3.736 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1nc(C(F)(F)F)cc1C ZINC000811733618 1136132495 /nfs/dbraw/zinc/13/24/95/1136132495.db2.gz SDYDLHBSNDZMMF-UHFFFAOYSA-N 1 1 336.361 3.952 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cn1nc(C(F)(F)F)cc1C ZINC000811733618 1136132498 /nfs/dbraw/zinc/13/24/98/1136132498.db2.gz SDYDLHBSNDZMMF-UHFFFAOYSA-N 1 1 336.361 3.952 20 30 EHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000776353959 1136161680 /nfs/dbraw/zinc/16/16/80/1136161680.db2.gz TXXVYHHFOVDJOV-HNNXBMFYSA-N 1 1 341.480 3.993 20 30 EHEDMO C(=[NH+]OC1CCC1)c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000812236510 1136187495 /nfs/dbraw/zinc/18/74/95/1136187495.db2.gz OAWCDQXIGXGESX-UHFFFAOYSA-N 1 1 343.452 3.550 20 30 EHEDMO COc1cccc(O)c1/C=N/C[C@H](c1ccccc1Cl)[NH+](C)C ZINC000812395536 1136203476 /nfs/dbraw/zinc/20/34/76/1136203476.db2.gz CGUWEDVAONYSRL-MBTVCVBTSA-N 1 1 332.831 3.776 20 30 EHEDMO C#CCCOc1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)cc1 ZINC000747812068 1136238554 /nfs/dbraw/zinc/23/85/54/1136238554.db2.gz QLRNTESAKAUODJ-UHFFFAOYSA-N 1 1 326.465 3.714 20 30 EHEDMO CN(CCC#N)c1ccc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000850381091 1136245878 /nfs/dbraw/zinc/24/58/78/1136245878.db2.gz BGHVCPLDKBOOBA-IBGZPJMESA-N 1 1 340.515 3.533 20 30 EHEDMO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)cc1 ZINC000850381091 1136245882 /nfs/dbraw/zinc/24/58/82/1136245882.db2.gz BGHVCPLDKBOOBA-IBGZPJMESA-N 1 1 340.515 3.533 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)c(COCC)c1)c1ccc(F)cc1 ZINC000812793752 1136250940 /nfs/dbraw/zinc/25/09/40/1136250940.db2.gz CTHJIIXTBHJOGC-LJQANCHMSA-N 1 1 327.399 3.835 20 30 EHEDMO CC[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)CC(C)(C)C ZINC000812893534 1136269572 /nfs/dbraw/zinc/26/95/72/1136269572.db2.gz WNVAWJSJNRVMHI-HNNXBMFYSA-N 1 1 336.439 3.592 20 30 EHEDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1sc2c(c1C#N)C(C)(C)CC2 ZINC001133944143 1136369104 /nfs/dbraw/zinc/36/91/04/1136369104.db2.gz PPDGPFCJHXAMPE-CYBMUJFWSA-N 1 1 331.485 3.655 20 30 EHEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1sc2c(c1C#N)C(C)(C)CC2 ZINC001133944143 1136369107 /nfs/dbraw/zinc/36/91/07/1136369107.db2.gz PPDGPFCJHXAMPE-CYBMUJFWSA-N 1 1 331.485 3.655 20 30 EHEDMO N#CC[C@H](CC(=O)OC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000851469018 1136381526 /nfs/dbraw/zinc/38/15/26/1136381526.db2.gz QVVLPUMGGOSDPN-RTWAWAEBSA-N 1 1 348.446 3.892 20 30 EHEDMO N#CC1(c2ccccc2F)CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC001137050249 1136424644 /nfs/dbraw/zinc/42/46/44/1136424644.db2.gz XBRQQXWTXQPQHP-UHFFFAOYSA-N 1 1 334.398 3.759 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC([C@@H]2CCC[N@@H+](CC3(C#N)CC3)C2)CC1 ZINC000852300576 1136446781 /nfs/dbraw/zinc/44/67/81/1136446781.db2.gz JZBJZZHDPJIRQF-QGZVFWFLSA-N 1 1 347.503 3.649 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@H](CCF)C2)cc1 ZINC000852533434 1136463755 /nfs/dbraw/zinc/46/37/55/1136463755.db2.gz UREFMVPWLFAHRG-ZWKOTPCHSA-N 1 1 345.462 3.702 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000852685087 1136478112 /nfs/dbraw/zinc/47/81/12/1136478112.db2.gz AOFACTFVCFNJPV-IYBDPMFKSA-N 1 1 325.408 3.744 20 30 EHEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000852712687 1136479299 /nfs/dbraw/zinc/47/92/99/1136479299.db2.gz TYFNJZFBUZZJHS-USXIJHARSA-N 1 1 348.450 3.877 20 30 EHEDMO OC1CCN(c2ccc(C=[NH+]Nc3cccc4c3CCCC4)cc2)CC1 ZINC000853294550 1136524154 /nfs/dbraw/zinc/52/41/54/1136524154.db2.gz VCCMSFHHKQDEEZ-UHFFFAOYSA-N 1 1 349.478 3.973 20 30 EHEDMO CC1(C)Cc2c(cnn2-c2ccccc2)C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000854062006 1136584766 /nfs/dbraw/zinc/58/47/66/1136584766.db2.gz ROHPWKSMIDKIFW-VQIMIIECSA-N 1 1 334.467 3.949 20 30 EHEDMO C#CC[N@@H+](C)CCCN[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000815652912 1136626551 /nfs/dbraw/zinc/62/65/51/1136626551.db2.gz ZZKUGTRONXYQPO-LBPRGKRZSA-N 1 1 330.806 3.547 20 30 EHEDMO C#CC[N@H+](C)CCCN[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000815652912 1136626554 /nfs/dbraw/zinc/62/65/54/1136626554.db2.gz ZZKUGTRONXYQPO-LBPRGKRZSA-N 1 1 330.806 3.547 20 30 EHEDMO COC(=O)c1cccc(C[N@@H+](C)CCc2ccc(Cl)cc2)c1C#N ZINC000543702838 1136652892 /nfs/dbraw/zinc/65/28/92/1136652892.db2.gz CJEYVDNVHPQGKZ-UHFFFAOYSA-N 1 1 342.826 3.673 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000776799384 1136678237 /nfs/dbraw/zinc/67/82/37/1136678237.db2.gz QPLXQKORDQAUIW-MAUKXSAKSA-N 1 1 343.471 3.602 20 30 EHEDMO CC(C)CCN(CCC#N)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857147925 1136848064 /nfs/dbraw/zinc/84/80/64/1136848064.db2.gz CNRHPYSTMZUBQX-FQEVSTJZSA-N 1 1 341.499 3.898 20 30 EHEDMO C#CC[C@H](NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)c1ccccc1 ZINC000857164963 1136849062 /nfs/dbraw/zinc/84/90/62/1136849062.db2.gz ONSXCLJSPUCUQB-YADHBBJMSA-N 1 1 346.474 3.990 20 30 EHEDMO C[C@@H](CC#N)NN=C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000857211119 1136854417 /nfs/dbraw/zinc/85/44/17/1136854417.db2.gz AUAZINSKYAMRFR-PXNSSMCTSA-N 1 1 326.488 3.802 20 30 EHEDMO C#CC[N@@H+](C)CCCNC(=O)c1sc2cc(C)ccc2c1Cl ZINC000818584469 1136885269 /nfs/dbraw/zinc/88/52/69/1136885269.db2.gz NXOUMCWRMWFKGL-UHFFFAOYSA-N 1 1 334.872 3.548 20 30 EHEDMO C=C(C)COCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000820821175 1137005649 /nfs/dbraw/zinc/00/56/49/1137005649.db2.gz CVWHWGJOSDOBAD-SEJPIABJSA-N 1 1 328.500 3.754 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H](CC#N)c2ccccc2)C1 ZINC001136493139 1137036941 /nfs/dbraw/zinc/03/69/41/1137036941.db2.gz SRWHMEOUKRJWKU-HNJRGHQBSA-N 1 1 339.483 3.548 20 30 EHEDMO O[C@@H](C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cccc(F)c1 ZINC000117351620 1137052965 /nfs/dbraw/zinc/05/29/65/1137052965.db2.gz BMZVITCTSCVDBK-NSHDSACASA-N 1 1 345.258 3.676 20 30 EHEDMO O[C@@H](C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cccc(F)c1 ZINC000117351620 1137052966 /nfs/dbraw/zinc/05/29/66/1137052966.db2.gz BMZVITCTSCVDBK-NSHDSACASA-N 1 1 345.258 3.676 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)C2CC(C)(C)C2)cc1C ZINC001170989969 1137061942 /nfs/dbraw/zinc/06/19/42/1137061942.db2.gz DUHFCUOJUZPEMK-UHFFFAOYSA-N 1 1 327.472 3.671 20 30 EHEDMO CCC(C#N)(CC)C(=O)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000860549163 1137065817 /nfs/dbraw/zinc/06/58/17/1137065817.db2.gz LWWVFRQCILXILT-SFHVURJKSA-N 1 1 328.456 3.772 20 30 EHEDMO COCC[N@@H+](CC[C@@H]1CC1(Cl)Cl)Cc1ccc(C#N)cc1 ZINC000822592803 1137067288 /nfs/dbraw/zinc/06/72/88/1137067288.db2.gz JOOZAKIRWPYBQW-OAHLLOKOSA-N 1 1 327.255 3.591 20 30 EHEDMO C=CCC1(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CCCCC1 ZINC000822653104 1137068227 /nfs/dbraw/zinc/06/82/27/1137068227.db2.gz YTORGYJPSLQOJS-UHFFFAOYSA-N 1 1 338.455 3.719 20 30 EHEDMO N#CCCC[C@H]([NH3+])c1nc(-c2cc(F)ccc2C(F)(F)F)no1 ZINC000822722473 1137071735 /nfs/dbraw/zinc/07/17/35/1137071735.db2.gz GHYAHFBRRBTQFF-NSHDSACASA-N 1 1 328.269 3.588 20 30 EHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823438817 1137099561 /nfs/dbraw/zinc/09/95/61/1137099561.db2.gz WSJPFRUVPBUFCD-KXBFYZLASA-N 1 1 335.492 3.505 20 30 EHEDMO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cnc(C3CC3)o2)ccc1OC ZINC000862280326 1137137013 /nfs/dbraw/zinc/13/70/13/1137137013.db2.gz YKRKSHADZPOBIP-HNNXBMFYSA-N 1 1 341.411 3.531 20 30 EHEDMO C[C@H](C#N)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccccc1 ZINC000862324025 1137138465 /nfs/dbraw/zinc/13/84/65/1137138465.db2.gz AAYFHCHSVAQTEA-BPQIPLTHSA-N 1 1 343.471 3.529 20 30 EHEDMO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](CO)CC2)cc1OC ZINC000862381127 1137141597 /nfs/dbraw/zinc/14/15/97/1137141597.db2.gz VMCVQELYGOOUNT-CQSZACIVSA-N 1 1 339.863 3.508 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000862444605 1137145039 /nfs/dbraw/zinc/14/50/39/1137145039.db2.gz DAQVADSKZPFWJB-ZDUSSCGKSA-N 1 1 333.357 3.941 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000862443657 1137145109 /nfs/dbraw/zinc/14/51/09/1137145109.db2.gz RRCAEZXDDCEADJ-QGZVFWFLSA-N 1 1 336.435 3.514 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C1 ZINC000862444935 1137145124 /nfs/dbraw/zinc/14/51/24/1137145124.db2.gz JDLKITFMLWLDQS-MRXNPFEDSA-N 1 1 340.467 3.829 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000862445502 1137145325 /nfs/dbraw/zinc/14/53/25/1137145325.db2.gz VOVIMSOETACCME-CYBMUJFWSA-N 1 1 344.256 3.684 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)cc1 ZINC000862541474 1137149105 /nfs/dbraw/zinc/14/91/05/1137149105.db2.gz VFDJJZKMDLFAKP-IBGZPJMESA-N 1 1 335.451 3.732 20 30 EHEDMO C[C@@H](C[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1)NC(=O)OC(C)(C)C ZINC000862541443 1137149416 /nfs/dbraw/zinc/14/94/16/1137149416.db2.gz QRBARCVPPPJUNW-HNNXBMFYSA-N 1 1 343.471 3.587 20 30 EHEDMO CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143716162 1137191631 /nfs/dbraw/zinc/19/16/31/1137191631.db2.gz FFMSXELFYAJXBX-SFHVURJKSA-N 1 1 334.847 3.767 20 30 EHEDMO CCOC(=O)[C@@]1(C)CCCC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143716162 1137191633 /nfs/dbraw/zinc/19/16/33/1137191633.db2.gz FFMSXELFYAJXBX-SFHVURJKSA-N 1 1 334.847 3.767 20 30 EHEDMO CN(C)c1ccc(C=[NH+]N[C@H]2CCOC(C)(C)C2)c(C(F)(F)F)c1 ZINC000794534759 1137191836 /nfs/dbraw/zinc/19/18/36/1137191836.db2.gz CMARBUZDNKETOM-ZDUSSCGKSA-N 1 1 343.393 3.653 20 30 EHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844370620 1137213106 /nfs/dbraw/zinc/21/31/06/1137213106.db2.gz HUBINKYOAFPHDC-IBGZPJMESA-N 1 1 326.827 3.695 20 30 EHEDMO C[C@@H](CSc1ccccc1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000844362105 1137215360 /nfs/dbraw/zinc/21/53/60/1137215360.db2.gz XVOPDSYAUIGRKN-KXBFYZLASA-N 1 1 326.465 3.704 20 30 EHEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@@H]2NC(=O)c3ccccc32)cc1 ZINC001171129934 1137231278 /nfs/dbraw/zinc/23/12/78/1137231278.db2.gz NRWZCVIHEUQFFP-WOJBJXKFSA-N 1 1 333.435 3.864 20 30 EHEDMO C=C(C)C[N@H+](CC)Cc1ccccc1N1CCC(C(=O)OCC)CC1 ZINC001144099751 1137238611 /nfs/dbraw/zinc/23/86/11/1137238611.db2.gz QWLIGCRLHMDDFF-UHFFFAOYSA-N 1 1 344.499 3.864 20 30 EHEDMO C#Cc1ccc(C[N@H+](C(C)C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001144581506 1137310993 /nfs/dbraw/zinc/31/09/93/1137310993.db2.gz SZOJOJBPEIHJLI-IBGZPJMESA-N 1 1 342.483 3.888 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC000120730948 1137311160 /nfs/dbraw/zinc/31/11/60/1137311160.db2.gz RSOAFFRCZBDEBQ-GOSISDBHSA-N 1 1 337.471 3.841 20 30 EHEDMO CN(CCC#N)c1ccc(C[NH2+][C@H](CF)c2ccc(F)cc2)cc1 ZINC000865824093 1137314444 /nfs/dbraw/zinc/31/44/44/1137314444.db2.gz YEVFMVWIPORPKV-LJQANCHMSA-N 1 1 329.394 3.976 20 30 EHEDMO C=CC[C@@H](C)[C@@H](C)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1 ZINC000846050906 1137330148 /nfs/dbraw/zinc/33/01/48/1137330148.db2.gz WKCTXLQWLYGLLG-RTBURBONSA-N 1 1 345.531 3.716 20 30 EHEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000846108630 1137332837 /nfs/dbraw/zinc/33/28/37/1137332837.db2.gz AYZSWAXVAYPMBJ-KDURUIRLSA-N 1 1 340.373 3.834 20 30 EHEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cccc3cc[nH]c31)C2 ZINC001144712005 1137333317 /nfs/dbraw/zinc/33/33/17/1137333317.db2.gz GXXFXVWPKYNORP-PZJWPPBQSA-N 1 1 340.467 3.742 20 30 EHEDMO CCCCOc1ncccc1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866242379 1137338399 /nfs/dbraw/zinc/33/83/99/1137338399.db2.gz NXVCIRNSMVZSDO-AWEZNQCLSA-N 1 1 325.412 3.689 20 30 EHEDMO C[C@@H]([NH2+][C@@H]1CCCOc2ccc(F)cc21)c1cccc(C#N)c1O ZINC000866246684 1137339072 /nfs/dbraw/zinc/33/90/72/1137339072.db2.gz MVEXLJJDHGFILC-SJKOYZFVSA-N 1 1 326.371 3.967 20 30 EHEDMO COc1ccccc1O[C@H]1CC[N@H+]([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171220987 1137346642 /nfs/dbraw/zinc/34/66/42/1137346642.db2.gz GVFNQJHEUKZVLX-APWZRJJASA-N 1 1 336.435 3.651 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCc2ncc(C(F)(F)F)cc2C1 ZINC001171221381 1137347182 /nfs/dbraw/zinc/34/71/82/1137347182.db2.gz MBMJAQZWGFJQRR-CYBMUJFWSA-N 1 1 345.368 3.961 20 30 EHEDMO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)CCO2 ZINC000866341269 1137347230 /nfs/dbraw/zinc/34/72/30/1137347230.db2.gz LVPGQPDSTUIRRV-SCLBCKFNSA-N 1 1 338.407 3.837 20 30 EHEDMO COC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccc(Cl)cc1 ZINC000866348384 1137348064 /nfs/dbraw/zinc/34/80/64/1137348064.db2.gz ADOGCUDEJZCNQH-SJKOYZFVSA-N 1 1 330.815 3.956 20 30 EHEDMO CCCc1noc([C@@H]2CCC[N@H+]([C@H](C)Cc3cccc(C#N)c3)C2)n1 ZINC001171224196 1137349268 /nfs/dbraw/zinc/34/92/68/1137349268.db2.gz PUDFKCAKNQXNRA-CRAIPNDOSA-N 1 1 338.455 3.704 20 30 EHEDMO C=CCCCCCCCCC(=O)N1CCN(c2[nH+]cccc2N)CC1 ZINC001144797812 1137349371 /nfs/dbraw/zinc/34/93/71/1137349371.db2.gz OQICDSVJBVBXJF-UHFFFAOYSA-N 1 1 344.503 3.619 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC001171229485 1137354739 /nfs/dbraw/zinc/35/47/39/1137354739.db2.gz NYLYKMMVUZXBGZ-QGZVFWFLSA-N 1 1 330.435 3.807 20 30 EHEDMO Cc1cccc(O[C@@H]2CCC[N@H+]([C@H](C)Cc3cccc(C#N)c3)C2)n1 ZINC001171231163 1137355089 /nfs/dbraw/zinc/35/50/89/1137355089.db2.gz HNLKMCQYOVJNNZ-YLJYHZDGSA-N 1 1 335.451 3.736 20 30 EHEDMO C=CCCn1cc(C[N@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)nn1 ZINC000846760800 1137363687 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CC(C)(C)OC(=O)C1CCC([N@@H+](CCC#N)Cc2cccnc2)CC1 ZINC001171922448 1137521277 /nfs/dbraw/zinc/52/12/77/1137521277.db2.gz XSKAPYPBFKBVEE-UHFFFAOYSA-N 1 1 343.471 3.698 20 30 EHEDMO CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172310857 1137545913 /nfs/dbraw/zinc/54/59/13/1137545913.db2.gz KFDBRBOOGYHFQA-MRXNPFEDSA-N 1 1 345.487 3.678 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001172309830 1137545956 /nfs/dbraw/zinc/54/59/56/1137545956.db2.gz CFZVQLCITOLPQJ-HTAPYJJXSA-N 1 1 345.446 3.904 20 30 EHEDMO CC[C@H](C)OCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001172358141 1137554475 /nfs/dbraw/zinc/55/44/75/1137554475.db2.gz FTYAWXWVZQODTE-FUHIMQAGSA-N 1 1 330.472 3.995 20 30 EHEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@H](OC)c2cccc(Cl)c2)no1 ZINC000872174203 1137575257 /nfs/dbraw/zinc/57/52/57/1137575257.db2.gz ABBZYQDURCDAFQ-NWDGAFQWSA-N 1 1 328.199 3.601 20 30 EHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cccnc2OC2CCCC2)no1 ZINC000872176496 1137575296 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EHEDMO CN(C(=O)c1ccccc1Oc1ccccc1C#N)[C@@H]1CCC[N@@H+](C)C1 ZINC000182032273 1139946388 /nfs/dbraw/zinc/94/63/88/1139946388.db2.gz RWHRRDMFCKBGME-QGZVFWFLSA-N 1 1 349.434 3.517 20 30 EHEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)Cc3ccccc3CC#N)c2C1 ZINC000777419906 1140173699 /nfs/dbraw/zinc/17/36/99/1140173699.db2.gz DJGKVOKCKGSEII-UHFFFAOYSA-N 1 1 347.462 3.905 20 30 EHEDMO CC(C)C[N@@H+](Cc1cnc(N(C)C)s1)Cc1ccc(C#N)cc1 ZINC000350654838 1140234590 /nfs/dbraw/zinc/23/45/90/1140234590.db2.gz HPRSVARWBSVGMK-UHFFFAOYSA-N 1 1 328.485 3.739 20 30 EHEDMO C#CCCOc1ccc(C[NH2+]Cc2nc3cc(C)ccc3n2C)cc1 ZINC000187585716 1140262598 /nfs/dbraw/zinc/26/25/98/1140262598.db2.gz FSJOXRYIVYTJCE-UHFFFAOYSA-N 1 1 333.435 3.574 20 30 EHEDMO C#CCN(CC)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000267379925 1140784812 /nfs/dbraw/zinc/78/48/12/1140784812.db2.gz ZQFJJDGRGPOFEP-UHFFFAOYSA-N 1 1 327.472 3.938 20 30 EHEDMO CC(C)C[C@H](CNC(=[NH2+])Nc1ccccn1)N[C@H](C)c1ccccc1 ZINC000267416944 1140788518 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N#CC1(F)CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000348709776 1141569409 /nfs/dbraw/zinc/56/94/09/1141569409.db2.gz NGLFNAJWSIYTQB-UHFFFAOYSA-N 1 1 329.331 3.682 20 30 EHEDMO N#Cc1ccc(C2=CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC2)cc1 ZINC000348746426 1141574134 /nfs/dbraw/zinc/57/41/34/1141574134.db2.gz GNFVOUSGYZGDNB-NRFANRHFSA-N 1 1 349.478 3.581 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283451978 1141628812 /nfs/dbraw/zinc/62/88/12/1141628812.db2.gz HLPILWLUSMQVEP-NRFANRHFSA-N 1 1 348.490 3.879 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000067320541 215132685 /nfs/dbraw/zinc/13/26/85/215132685.db2.gz KSIXFGFRTRSICG-QGZVFWFLSA-N 1 1 343.427 3.659 20 30 EHEDMO C=CCCC[N@H+](C)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000735412521 599475996 /nfs/dbraw/zinc/47/59/96/599475996.db2.gz FBBGPUUAZCSLLM-UHFFFAOYSA-N 1 1 333.439 3.932 20 30 EHEDMO Cc1ccc(CC#N)c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164621725 719100337 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C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCCOC1 ZINC000510158369 1015873042 /nfs/dbraw/zinc/87/30/42/1015873042.db2.gz GJPUCMRYXAXAPQ-OAQYLSRUSA-N 1 1 334.463 3.997 20 30 EHEDMO CC(C)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1cccs1 ZINC000336865633 1015880422 /nfs/dbraw/zinc/88/04/22/1015880422.db2.gz YBTVARRPCGMSSE-UHFFFAOYSA-N 1 1 327.453 3.859 20 30 EHEDMO Cc1nsc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1C#N ZINC000339969206 1016086605 /nfs/dbraw/zinc/08/66/05/1016086605.db2.gz OBAUFTSIWJESKT-UHFFFAOYSA-N 1 1 346.887 3.689 20 30 EHEDMO Cc1nsc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1C#N ZINC000339969206 1016086614 /nfs/dbraw/zinc/08/66/14/1016086614.db2.gz OBAUFTSIWJESKT-UHFFFAOYSA-N 1 1 346.887 3.689 20 30 EHEDMO C[C@@H]1CC[N@@H+](C)CCN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000536682721 1032147312 /nfs/dbraw/zinc/14/73/12/1032147312.db2.gz FDHVUKDHPCPUSB-GOSISDBHSA-N 1 1 349.478 3.663 20 30 EHEDMO C[C@@H]1CCN(C)CC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000536682721 1032147317 /nfs/dbraw/zinc/14/73/17/1032147317.db2.gz FDHVUKDHPCPUSB-GOSISDBHSA-N 1 1 349.478 3.663 20 30 EHEDMO C[C@@H]1CCN(C)CC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000536682721 1032147322 /nfs/dbraw/zinc/14/73/22/1032147322.db2.gz FDHVUKDHPCPUSB-GOSISDBHSA-N 1 1 349.478 3.663 20 30 EHEDMO N#Cc1cccc(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)c1 ZINC000103169463 1016639877 /nfs/dbraw/zinc/63/98/77/1016639877.db2.gz KCNSIAKWTWTKBE-UHFFFAOYSA-N 1 1 349.415 3.700 20 30 EHEDMO C#CC[N@H+](CCCOCCc1ccccc1)Cc1ccc(F)cc1 ZINC001167273448 1016913573 /nfs/dbraw/zinc/91/35/73/1016913573.db2.gz HABUIOXQISROSF-UHFFFAOYSA-N 1 1 325.427 3.910 20 30 EHEDMO CC[NH+](CC)Cc1ccc(C(O)=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000340363773 1017037887 /nfs/dbraw/zinc/03/78/87/1017037887.db2.gz MFGUWNLYFOLEJK-KRWDZBQOSA-N 1 1 346.434 3.895 20 30 EHEDMO C=CC[N@H+](Cc1cc(=O)n2c(C)cccc2n1)CC1CCCCC1 ZINC000484970091 1032190233 /nfs/dbraw/zinc/19/02/33/1032190233.db2.gz JDPMGQDWNTZYLO-UHFFFAOYSA-N 1 1 325.456 3.571 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc(C2(c3cccc(OC)c3)CCC2)no1 ZINC000904719393 1032194627 /nfs/dbraw/zinc/19/46/27/1032194627.db2.gz VWNMCKXFRDSXEP-INIZCTEOSA-N 1 1 327.428 3.904 20 30 EHEDMO Cn1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C(C)(C)C)n1 ZINC000538304854 1032284258 /nfs/dbraw/zinc/28/42/58/1032284258.db2.gz LSRWQBIJOGTRSI-RBUKOAKNSA-N 1 1 336.483 3.989 20 30 EHEDMO Cn1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C(C)(C)C)n1 ZINC000538304854 1032284267 /nfs/dbraw/zinc/28/42/67/1032284267.db2.gz LSRWQBIJOGTRSI-RBUKOAKNSA-N 1 1 336.483 3.989 20 30 EHEDMO Oc1ccc2ccccc2c1/C=N\[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000905002258 1032316276 /nfs/dbraw/zinc/31/62/76/1032316276.db2.gz GDJWGUMTGXVKNG-HOEOUTIMSA-N 1 1 326.465 3.544 20 30 EHEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000081604430 1032350786 /nfs/dbraw/zinc/35/07/86/1032350786.db2.gz RRIZEUSAJGWFBN-GOSISDBHSA-N 1 1 339.826 3.987 20 30 EHEDMO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459762016 1032452646 /nfs/dbraw/zinc/45/26/46/1032452646.db2.gz LFRLTUQXLBHAJO-ZDUSSCGKSA-N 1 1 327.359 3.669 20 30 EHEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459762016 1032452649 /nfs/dbraw/zinc/45/26/49/1032452649.db2.gz LFRLTUQXLBHAJO-ZDUSSCGKSA-N 1 1 327.359 3.669 20 30 EHEDMO CCC(C#N)(CC)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000528609868 1032507281 /nfs/dbraw/zinc/50/72/81/1032507281.db2.gz LOTGWAWWSIHTOD-HZPDHXFCSA-N 1 1 343.471 3.564 20 30 EHEDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000449386237 1032512130 /nfs/dbraw/zinc/51/21/30/1032512130.db2.gz HURXDPINKIKHNK-GUXCAODWSA-N 1 1 330.435 3.972 20 30 EHEDMO Cc1nc(C[NH2+]Cc2ccc(C#N)c(C)c2)sc1Br ZINC000449403197 1032527481 /nfs/dbraw/zinc/52/74/81/1032527481.db2.gz VGGWKCAWOFLXDO-UHFFFAOYSA-N 1 1 336.258 3.684 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC000307042083 1017314191 /nfs/dbraw/zinc/31/41/91/1017314191.db2.gz AQSOMQWLMVJZKF-WCQYABFASA-N 1 1 332.860 3.601 20 30 EHEDMO N#CCCCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000449451070 1032568085 /nfs/dbraw/zinc/56/80/85/1032568085.db2.gz HQVYKGZQOZUFNJ-HBMCJLEFSA-N 1 1 342.483 3.885 20 30 EHEDMO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCOc2ccc(C#N)cc2)CC1 ZINC000090106776 1032573190 /nfs/dbraw/zinc/57/31/90/1032573190.db2.gz AKYJGLDESFUNEP-UTKZUKDTSA-N 1 1 341.499 3.570 20 30 EHEDMO CCCC(=O)Nc1ccc(C[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000602007828 1032591451 /nfs/dbraw/zinc/59/14/51/1032591451.db2.gz YXGWLSQLMAVCGG-UHFFFAOYSA-N 1 1 325.387 3.726 20 30 EHEDMO C=CC[N@H+](Cc1cc(Br)ccc1F)[C@H](CO)C(=C)C ZINC001167291413 1017353701 /nfs/dbraw/zinc/35/37/01/1017353701.db2.gz MOXVGVSKIQETSF-OAHLLOKOSA-N 1 1 328.225 3.513 20 30 EHEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)[C@H](CO)C(=C)C ZINC001167291413 1017353711 /nfs/dbraw/zinc/35/37/11/1017353711.db2.gz MOXVGVSKIQETSF-OAHLLOKOSA-N 1 1 328.225 3.513 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCSC[C@H]2C2CC2)c(C(F)(F)F)c1 ZINC000449525059 1032725135 /nfs/dbraw/zinc/72/51/35/1032725135.db2.gz ARCIZSLLIUIRDB-HNNXBMFYSA-N 1 1 326.387 3.904 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCSC[C@H]2C2CC2)c(C(F)(F)F)c1 ZINC000449525059 1032725147 /nfs/dbraw/zinc/72/51/47/1032725147.db2.gz ARCIZSLLIUIRDB-HNNXBMFYSA-N 1 1 326.387 3.904 20 30 EHEDMO CCC[N@@H+](C)[C@@H](CNC(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000574183582 1032732366 /nfs/dbraw/zinc/73/23/66/1032732366.db2.gz LJBMSGSWYIWXAH-INIZCTEOSA-N 1 1 335.879 3.779 20 30 EHEDMO COc1ccc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)cc1OCCCC#N ZINC000449542662 1032731190 /nfs/dbraw/zinc/73/11/90/1032731190.db2.gz QXTGJAHBIOPTJU-WIYYLYMNSA-N 1 1 340.467 3.998 20 30 EHEDMO CCN(CC)C(=O)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000610343221 1018337246 /nfs/dbraw/zinc/33/72/46/1018337246.db2.gz BFNXEVGHLWFKPK-JXFKEZNVSA-N 1 1 335.451 3.819 20 30 EHEDMO C=CCCCCNC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472871203 1018426343 /nfs/dbraw/zinc/42/63/43/1018426343.db2.gz RIQNUHVDDMKIKP-HXUWFJFHSA-N 1 1 343.515 3.896 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000683826908 1018725932 /nfs/dbraw/zinc/72/59/32/1018725932.db2.gz XUZSNLQCJFYTDB-VQTJNVASSA-N 1 1 341.499 3.649 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000449554463 1032791335 /nfs/dbraw/zinc/79/13/35/1032791335.db2.gz OISHKZCHUKHKGL-FMKPAKJESA-N 1 1 338.373 3.560 20 30 EHEDMO CC[C@@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1F ZINC000594019975 1032792705 /nfs/dbraw/zinc/79/27/05/1032792705.db2.gz WMSUNWNSUSLRDI-MRXNPFEDSA-N 1 1 329.375 3.587 20 30 EHEDMO CCN(C(=O)Nc1cccc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000129183134 1018965865 /nfs/dbraw/zinc/96/58/65/1018965865.db2.gz VACWBHYCKVEXLE-FQEVSTJZSA-N 1 1 348.450 3.687 20 30 EHEDMO CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)Cc2ccc(C#N)cc2C)cc1 ZINC000614402935 1018980427 /nfs/dbraw/zinc/98/04/27/1018980427.db2.gz QZSOLTKTDYVCHH-QGZVFWFLSA-N 1 1 349.478 3.868 20 30 EHEDMO CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)Cc2ccc(C#N)cc2C)cc1 ZINC000614402935 1018980431 /nfs/dbraw/zinc/98/04/31/1018980431.db2.gz QZSOLTKTDYVCHH-QGZVFWFLSA-N 1 1 349.478 3.868 20 30 EHEDMO C[C@@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000592403597 1032800705 /nfs/dbraw/zinc/80/07/05/1032800705.db2.gz PRSGVDWFRCJEGQ-ZTNFWEORSA-N 1 1 337.442 3.693 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cnn(Cc2ccccc2)c1 ZINC000151156971 1019382268 /nfs/dbraw/zinc/38/22/68/1019382268.db2.gz CBWSDKCILGHMKM-OAHLLOKOSA-N 1 1 334.398 3.793 20 30 EHEDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000513228600 1019426276 /nfs/dbraw/zinc/42/62/76/1019426276.db2.gz LNNURVILIRRRFZ-OXJNMPFZSA-N 1 1 333.435 3.970 20 30 EHEDMO N#Cc1cccc(C[N@H+]2CCCN(c3ccccc3F)CC2)c1F ZINC000513376526 1019580400 /nfs/dbraw/zinc/58/04/00/1019580400.db2.gz OHPOAKXUINWVKX-UHFFFAOYSA-N 1 1 327.378 3.549 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCCN(c3ccccc3F)CC2)c1F ZINC000513376526 1019580414 /nfs/dbraw/zinc/58/04/14/1019580414.db2.gz OHPOAKXUINWVKX-UHFFFAOYSA-N 1 1 327.378 3.549 20 30 EHEDMO C=C(C)CN1CCC([NH2+]Cc2ccc(C)cc2Br)CC1 ZINC000513510614 1019774367 /nfs/dbraw/zinc/77/43/67/1019774367.db2.gz FAVUZPQBRWMHJV-UHFFFAOYSA-N 1 1 337.305 3.888 20 30 EHEDMO Cn1ncc(C(F)(F)F)c1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000897588467 1032857028 /nfs/dbraw/zinc/85/70/28/1032857028.db2.gz CSVNPJWFKZEVHY-UHFFFAOYSA-N 1 1 348.372 3.690 20 30 EHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1cc(C#N)ccc1F ZINC000610451655 1019868406 /nfs/dbraw/zinc/86/84/06/1019868406.db2.gz XTAZXOZOSBXDMP-KRWDZBQOSA-N 1 1 337.442 3.794 20 30 EHEDMO CCC[N@H+](CC(=O)Nc1cccc(F)c1)Cc1ccc(C#N)cc1 ZINC000047739894 1020322067 /nfs/dbraw/zinc/32/20/67/1020322067.db2.gz AHSDQUJQYQCKIH-UHFFFAOYSA-N 1 1 325.387 3.548 20 30 EHEDMO CCC[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1ccc(C#N)cc1 ZINC000047739894 1020322078 /nfs/dbraw/zinc/32/20/78/1020322078.db2.gz AHSDQUJQYQCKIH-UHFFFAOYSA-N 1 1 325.387 3.548 20 30 EHEDMO C=CCN(CC=C)C(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000684141290 1020406410 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CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602545920 1032955632 /nfs/dbraw/zinc/95/56/32/1032955632.db2.gz RTJRIBNDPKRWFX-DLBZAZTESA-N 1 1 346.494 3.558 20 30 EHEDMO N#CCCCOc1cccc(C[NH2+]CCc2ccc3cn[nH]c3c2)c1 ZINC000341252856 1021199277 /nfs/dbraw/zinc/19/92/77/1021199277.db2.gz GWQLBYFECVPNCR-UHFFFAOYSA-N 1 1 334.423 3.578 20 30 EHEDMO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1coc(-c2cccs2)n1 ZINC000602536916 1032966839 /nfs/dbraw/zinc/96/68/39/1032966839.db2.gz XYAFWDVCGWMVIF-ZDUSSCGKSA-N 1 1 331.441 3.592 20 30 EHEDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000394124812 1021269094 /nfs/dbraw/zinc/26/90/94/1021269094.db2.gz GRSCWNAXDMNASY-CQSZACIVSA-N 1 1 327.291 3.894 20 30 EHEDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1F ZINC000439261409 1021286197 /nfs/dbraw/zinc/28/61/97/1021286197.db2.gz MTVLNUFKMFJIJK-HXUWFJFHSA-N 1 1 326.415 3.861 20 30 EHEDMO C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000439314435 1021341582 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N#CC[C@@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000598217763 1032992834 /nfs/dbraw/zinc/99/28/34/1032992834.db2.gz BEOREFMKZDWQKR-RBUKOAKNSA-N 1 1 339.483 3.597 20 30 EHEDMO N#Cc1c(NC(=O)C[N@@H+]2CC[C@H]3CCC[C@H]32)sc2c1CCCCC2 ZINC000426473591 1021673991 /nfs/dbraw/zinc/67/39/91/1021673991.db2.gz ROPZMCRVKYYNGL-CZUORRHYSA-N 1 1 343.496 3.702 20 30 EHEDMO N#Cc1c(NC(=O)C[N@H+]2CC[C@H]3CCC[C@H]32)sc2c1CCCCC2 ZINC000426473591 1021673996 /nfs/dbraw/zinc/67/39/96/1021673996.db2.gz ROPZMCRVKYYNGL-CZUORRHYSA-N 1 1 343.496 3.702 20 30 EHEDMO CCCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 ZINC000559066693 1021706301 /nfs/dbraw/zinc/70/63/01/1021706301.db2.gz NQHNPLJLVGFMCP-UHFFFAOYSA-N 1 1 348.512 3.767 20 30 EHEDMO CC[C@@H](Nc1ccc(C#N)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471691418 1021722921 /nfs/dbraw/zinc/72/29/21/1021722921.db2.gz BDADYCLPWHCDAL-RTWAWAEBSA-N 1 1 335.451 3.650 20 30 EHEDMO CC[C@@H](Nc1ccc(C#N)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471691418 1021722939 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QWXOZMOUQXVOOU-QGZVFWFLSA-N 1 1 339.483 3.813 20 30 EHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](C)c1ccc(F)cc1 ZINC000437582484 1021974646 /nfs/dbraw/zinc/97/46/46/1021974646.db2.gz VEKURLSFVVUPPV-INIZCTEOSA-N 1 1 326.415 3.949 20 30 EHEDMO Cc1cccc(C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC(C)C)c1 ZINC000520173525 1021988185 /nfs/dbraw/zinc/98/81/85/1021988185.db2.gz OFVCSMSHYIGGEC-FQEVSTJZSA-N 1 1 329.488 3.508 20 30 EHEDMO C[N@H+](CC#Cc1ccccc1Cl)C[C@@H]1OCCc2ccccc21 ZINC000441156124 1022022068 /nfs/dbraw/zinc/02/20/68/1022022068.db2.gz PYIHNOFVJWKNLF-FQEVSTJZSA-N 1 1 325.839 3.937 20 30 EHEDMO C[N@@H+](CC#Cc1ccccc1Cl)C[C@@H]1OCCc2ccccc21 ZINC000441156124 1022022084 /nfs/dbraw/zinc/02/20/84/1022022084.db2.gz PYIHNOFVJWKNLF-FQEVSTJZSA-N 1 1 325.839 3.937 20 30 EHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](CC)Cc1cccc(F)c1 ZINC000060845803 1033031957 /nfs/dbraw/zinc/03/19/57/1033031957.db2.gz DTGVFCYQNRDBKZ-FQEVSTJZSA-N 1 1 343.442 3.816 20 30 EHEDMO C=CCCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000102321363 1022299881 /nfs/dbraw/zinc/29/98/81/1022299881.db2.gz JEZZMDATFBMNPE-UHFFFAOYSA-N 1 1 334.463 3.886 20 30 EHEDMO N#Cc1ccc(NC(=O)C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000341590743 1022432412 /nfs/dbraw/zinc/43/24/12/1022432412.db2.gz VMUJKQDAPMJJDI-INIZCTEOSA-N 1 1 347.340 3.780 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC000328643038 1022453688 /nfs/dbraw/zinc/45/36/88/1022453688.db2.gz GCPPKUOADWSMNY-SIXWZSSISA-N 1 1 329.444 3.535 20 30 EHEDMO Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)s1 ZINC000328706303 1022471917 /nfs/dbraw/zinc/47/19/17/1022471917.db2.gz ZARJRQIRTDNHQY-GXTWGEPZSA-N 1 1 330.457 3.908 20 30 EHEDMO Cc1nnc([C@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)s1 ZINC000328706303 1022471929 /nfs/dbraw/zinc/47/19/29/1022471929.db2.gz ZARJRQIRTDNHQY-GXTWGEPZSA-N 1 1 330.457 3.908 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)cc1)C1CC1 ZINC000328795687 1022504312 /nfs/dbraw/zinc/50/43/12/1022504312.db2.gz 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C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000331048086 1022734097 /nfs/dbraw/zinc/73/40/97/1022734097.db2.gz GZIHESUVAIBSBW-MRXNPFEDSA-N 1 1 341.499 3.728 20 30 EHEDMO Cc1cc(C)c(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c(C)n1 ZINC000331240240 1022778472 /nfs/dbraw/zinc/77/84/72/1022778472.db2.gz PARUXLBUURRYEM-ZDUSSCGKSA-N 1 1 332.492 3.843 20 30 EHEDMO C=CC[N@H+](CC(=O)Nc1cccc(NC(C)=O)c1)CC1CCCCC1 ZINC000112210711 1022835106 /nfs/dbraw/zinc/83/51/06/1022835106.db2.gz KWLPUEJBSGNNRQ-UHFFFAOYSA-N 1 1 343.471 3.652 20 30 EHEDMO Cc1cc(C)c(C#N)c(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1 ZINC000383081656 1022912086 /nfs/dbraw/zinc/91/20/86/1022912086.db2.gz DWQWJZJVYOOLDN-SFHVURJKSA-N 1 1 334.467 3.671 20 30 EHEDMO CC[C@@](C)(C#N)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000506353101 1022988850 /nfs/dbraw/zinc/98/88/50/1022988850.db2.gz MHLIVFVESFLQBI-FVJLSDCUSA-N 1 1 341.499 3.721 20 30 EHEDMO C=CCC[C@@H](O)C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000128546576 1023007325 /nfs/dbraw/zinc/00/73/25/1023007325.db2.gz MARLDEYPEBBVHP-CQSZACIVSA-N 1 1 332.271 3.505 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000426765965 1023018928 /nfs/dbraw/zinc/01/89/28/1023018928.db2.gz VCHDMSTZUHIEBS-AEGPPILISA-N 1 1 331.847 3.661 20 30 EHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602709431 1033095940 /nfs/dbraw/zinc/09/59/40/1033095940.db2.gz SYWRGESYEJQQRI-NSHDSACASA-N 1 1 327.306 3.739 20 30 EHEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602709431 1033095954 /nfs/dbraw/zinc/09/59/54/1033095954.db2.gz SYWRGESYEJQQRI-NSHDSACASA-N 1 1 327.306 3.739 20 30 EHEDMO C[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000429597609 1023037896 /nfs/dbraw/zinc/03/78/96/1023037896.db2.gz LPOODUZNVPWQCR-UONOGXRCSA-N 1 1 345.512 3.948 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000426794460 1023051199 /nfs/dbraw/zinc/05/11/99/1023051199.db2.gz 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337.489 3.703 20 30 EHEDMO CC[C@H]1OCCC[C@@H]1C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000330228524 1024364052 /nfs/dbraw/zinc/36/40/52/1024364052.db2.gz CMPUWHRFBCNFEF-GXTWGEPZSA-N 1 1 337.489 3.703 20 30 EHEDMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1cccc2c1OCCCO2 ZINC000330289819 1024384814 /nfs/dbraw/zinc/38/48/14/1024384814.db2.gz FGQKJRMJJCJSHJ-INIZCTEOSA-N 1 1 332.444 3.569 20 30 EHEDMO CC(C)(C#N)C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000614646384 1024388139 /nfs/dbraw/zinc/38/81/39/1024388139.db2.gz KDPMSPBPRXMMMR-UHFFFAOYSA-N 1 1 336.361 3.590 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2cc(C(=O)OC)c(C)o2)cc1 ZINC000342204585 1024397204 /nfs/dbraw/zinc/39/72/04/1024397204.db2.gz JGHIDWLYCQDZNG-UHFFFAOYSA-N 1 1 329.396 3.571 20 30 EHEDMO C=CCOc1ccc(C[N@H+](C)Cc2cc(C(=O)OC)c(C)o2)cc1 ZINC000342204585 1024397223 /nfs/dbraw/zinc/39/72/23/1024397223.db2.gz JGHIDWLYCQDZNG-UHFFFAOYSA-N 1 1 329.396 3.571 20 30 EHEDMO C=CCC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000505515643 1024415523 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3.749 20 30 EHEDMO N#Cc1ccccc1OCC[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000505565171 1024499231 /nfs/dbraw/zinc/49/92/31/1024499231.db2.gz TVPUASWLSDGLTE-HXUWFJFHSA-N 1 1 336.435 3.618 20 30 EHEDMO C=CCc1cc(C[N@@H+](CCOC)Cc2ccccc2)cc(OC)c1O ZINC000505570723 1024505701 /nfs/dbraw/zinc/50/57/01/1024505701.db2.gz OMMIKRHQVGIIDH-UHFFFAOYSA-N 1 1 341.451 3.778 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000536485072 1024542575 /nfs/dbraw/zinc/54/25/75/1024542575.db2.gz GQMDIYAZIJODFD-ZDUSSCGKSA-N 1 1 326.843 3.724 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000536485072 1024542578 /nfs/dbraw/zinc/54/25/78/1024542578.db2.gz GQMDIYAZIJODFD-ZDUSSCGKSA-N 1 1 326.843 3.724 20 30 EHEDMO C=CCC[C@H](NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000435095908 1024619123 /nfs/dbraw/zinc/61/91/23/1024619123.db2.gz JSRMKEPDVKZGEX-QUCCMNQESA-N 1 1 343.515 3.971 20 30 EHEDMO C=CCC[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000435112844 1024629200 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329.488 3.676 20 30 EHEDMO C=C(C(=O)N1CC[C@H]2C[N@H+](C[C@H](CC)CCCC)C[C@H]21)C(F)(F)F ZINC001270008341 1025126841 /nfs/dbraw/zinc/12/68/41/1025126841.db2.gz QFYXDCGLBXWLFS-OWCLPIDISA-N 1 1 346.437 3.854 20 30 EHEDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)c(OC)c1 ZINC000121011626 1025193461 /nfs/dbraw/zinc/19/34/61/1025193461.db2.gz NMISWWHALMCGFR-KRWDZBQOSA-N 1 1 328.437 3.974 20 30 EHEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)c(OC)c1 ZINC000121011626 1025193464 /nfs/dbraw/zinc/19/34/64/1025193464.db2.gz NMISWWHALMCGFR-KRWDZBQOSA-N 1 1 328.437 3.974 20 30 EHEDMO CCC[C@H]1[C@H](C)CCC[N@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000173387439 1033271519 /nfs/dbraw/zinc/27/15/19/1033271519.db2.gz CGBSMLWAZLCLST-BEFAXECRSA-N 1 1 337.471 3.983 20 30 EHEDMO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(Br)cc2C#N)s1 ZINC000602956844 1033278871 /nfs/dbraw/zinc/27/88/71/1033278871.db2.gz OHZVNFKRFUMDSA-SECBINFHSA-N 1 1 336.258 3.937 20 30 EHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2F)C1 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EHEDMO CCC[N@@H+](CC)C[C@@H](C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000583292587 1029578846 /nfs/dbraw/zinc/57/88/46/1029578846.db2.gz RHCKGNPPXNHSPG-CYBMUJFWSA-N 1 1 327.394 3.787 20 30 EHEDMO CCCN(CC)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000583292587 1029578853 /nfs/dbraw/zinc/57/88/53/1029578853.db2.gz RHCKGNPPXNHSPG-CYBMUJFWSA-N 1 1 327.394 3.787 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000533291980 1029585724 /nfs/dbraw/zinc/58/57/24/1029585724.db2.gz NDXVTIZSBHXFRU-KFWWJZLASA-N 1 1 331.485 3.607 20 30 EHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H](C)CCC[C@H]2C)c(OC)c1 ZINC000525127694 1029698834 /nfs/dbraw/zinc/69/88/34/1029698834.db2.gz NHZYNOLOSKIYLA-ZHALLVOQSA-N 1 1 347.499 3.674 20 30 EHEDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000583412873 1029786827 /nfs/dbraw/zinc/78/68/27/1029786827.db2.gz AEYYPBODSVYCEP-INIZCTEOSA-N 1 1 339.405 3.883 20 30 EHEDMO COc1ccc(C#N)cc1C[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000446764279 1029786917 /nfs/dbraw/zinc/78/69/17/1029786917.db2.gz FSTPPLQDAYSYHA-UHFFFAOYSA-N 1 1 348.446 3.970 20 30 EHEDMO CC1=CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000533760582 1029789543 /nfs/dbraw/zinc/78/95/43/1029789543.db2.gz GKZCQFHRAPAMHD-AWEZNQCLSA-N 1 1 343.496 3.725 20 30 EHEDMO C=C(C)C[NH+]1CCC(N[C@@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421830202 1029804910 /nfs/dbraw/zinc/80/49/10/1029804910.db2.gz JPROZUBZLCDKHG-HXUWFJFHSA-N 1 1 332.463 3.916 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)Cn1cc[nH+]c1C1CC1 ZINC000600611559 1030050802 /nfs/dbraw/zinc/05/08/02/1030050802.db2.gz QPEZEGHXEKGEMJ-CYBMUJFWSA-N 1 1 340.452 3.651 20 30 EHEDMO C=CCCC[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc(OCC)cc1 ZINC000121035450 1030163948 /nfs/dbraw/zinc/16/39/48/1030163948.db2.gz WWPZWTQPFFKCSY-IBGZPJMESA-N 1 1 330.472 3.647 20 30 EHEDMO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453368649 1030182887 /nfs/dbraw/zinc/18/28/87/1030182887.db2.gz UTYQHSFZBRNBIM-ADAARDCZSA-N 1 1 326.484 3.505 20 30 EHEDMO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000453368649 1030182896 /nfs/dbraw/zinc/18/28/96/1030182896.db2.gz UTYQHSFZBRNBIM-ADAARDCZSA-N 1 1 326.484 3.505 20 30 EHEDMO Cn1cc(Cl)cc1C[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000091930773 1030337091 /nfs/dbraw/zinc/33/70/91/1030337091.db2.gz LMECBAKFTMAHPE-UHFFFAOYSA-N 1 1 331.847 3.993 20 30 EHEDMO Cn1cc(Cl)cc1C[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000091930773 1030337112 /nfs/dbraw/zinc/33/71/12/1030337112.db2.gz LMECBAKFTMAHPE-UHFFFAOYSA-N 1 1 331.847 3.993 20 30 EHEDMO C=CCC[C@@H](NC(=O)NC[C@H]1CC[N@H+](CCC)C1)c1ccccc1 ZINC000246361367 1030465481 /nfs/dbraw/zinc/46/54/81/1030465481.db2.gz YETWDZSACVAMRE-IEBWSBKVSA-N 1 1 329.488 3.725 20 30 EHEDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000482509370 1030488658 /nfs/dbraw/zinc/48/86/58/1030488658.db2.gz NJXWSRLKWMRJGX-ZWKOTPCHSA-N 1 1 349.478 3.662 20 30 EHEDMO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000482509370 1030488670 /nfs/dbraw/zinc/48/86/70/1030488670.db2.gz NJXWSRLKWMRJGX-ZWKOTPCHSA-N 1 1 349.478 3.662 20 30 EHEDMO C=CCCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000447977662 1030637377 /nfs/dbraw/zinc/63/73/77/1030637377.db2.gz PBPFMJWKXOMPGZ-KRWDZBQOSA-N 1 1 329.488 3.684 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000093638076 1030643466 /nfs/dbraw/zinc/64/34/66/1030643466.db2.gz LHVYWUPOOIKXSM-VGOFRKELSA-N 1 1 348.446 3.651 20 30 EHEDMO CC[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000347616276 1030681062 /nfs/dbraw/zinc/68/10/62/1030681062.db2.gz LVUQTYYVEGAFTM-WFASDCNBSA-N 1 1 333.844 3.540 20 30 EHEDMO Cc1oc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)C[C@H]2C)c(C#N)c1C ZINC000246811282 1030718793 /nfs/dbraw/zinc/71/87/93/1030718793.db2.gz OANUJEZGGWCHRD-CXAGYDPISA-N 1 1 337.423 3.585 20 30 EHEDMO Cc1oc(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)C[C@H]2C)c(C#N)c1C ZINC000246811282 1030718808 /nfs/dbraw/zinc/71/88/08/1030718808.db2.gz OANUJEZGGWCHRD-CXAGYDPISA-N 1 1 337.423 3.585 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(-n2cncn2)c(F)c1 ZINC000527238783 1030728496 /nfs/dbraw/zinc/72/84/96/1030728496.db2.gz VLWLKGYHTAZQHE-UHFFFAOYSA-N 1 1 336.414 3.985 20 30 EHEDMO C=CC[N@@H+](Cn1ccc(=O)c2cccc(Br)c21)C(C)C ZINC000729848236 1030748448 /nfs/dbraw/zinc/74/84/48/1030748448.db2.gz OJPKKYVLTNVFMR-UHFFFAOYSA-N 1 1 335.245 3.618 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1C ZINC000160559422 1030855322 /nfs/dbraw/zinc/85/53/22/1030855322.db2.gz LRHQAYXAQSFBJC-ICSRJNTNSA-N 1 1 339.483 3.815 20 30 EHEDMO C=C(C)C[N@@H+](CC)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000096994090 1030878400 /nfs/dbraw/zinc/87/84/00/1030878400.db2.gz UUPBVBXOLKBJES-UHFFFAOYSA-N 1 1 333.863 3.793 20 30 EHEDMO C=C(C)C[N@H+](CC)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000096994090 1030878419 /nfs/dbraw/zinc/87/84/19/1030878419.db2.gz UUPBVBXOLKBJES-UHFFFAOYSA-N 1 1 333.863 3.793 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483101274 1030956843 /nfs/dbraw/zinc/95/68/43/1030956843.db2.gz INGRQRORYFHJCJ-RHSMWYFYSA-N 1 1 337.398 3.514 20 30 EHEDMO C=C(C)[C@@H](NC(=O)NCC[N@H+](C)[C@H](C)CC)c1ccc(F)c(F)c1 ZINC000476916765 1031078724 /nfs/dbraw/zinc/07/87/24/1031078724.db2.gz YHOIKOLHCSWNRC-CXAGYDPISA-N 1 1 339.430 3.612 20 30 EHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@H]2CC)cc1 ZINC000052868156 1031915450 /nfs/dbraw/zinc/91/54/50/1031915450.db2.gz PKBJGLSZEUCXFM-QGZVFWFLSA-N 1 1 343.471 3.596 20 30 EHEDMO COc1ccc2cc(C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)ccc2c1 ZINC000598587541 1033313172 /nfs/dbraw/zinc/31/31/72/1033313172.db2.gz SNNPMQATWVJFKM-SFHVURJKSA-N 1 1 326.440 3.581 20 30 EHEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC000574649939 1033315241 /nfs/dbraw/zinc/31/52/41/1033315241.db2.gz JBFUZLHDBOPUIZ-OAHLLOKOSA-N 1 1 342.240 3.705 20 30 EHEDMO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000598591906 1033317827 /nfs/dbraw/zinc/31/78/27/1033317827.db2.gz FEYCOARNAYIGMD-JKSUJKDBSA-N 1 1 338.904 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328.419 3.902 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnc2ccccc2n1 ZINC000595333503 1033733803 /nfs/dbraw/zinc/73/38/03/1033733803.db2.gz JKENPGJCMYCKJY-GHTZIAJQSA-N 1 1 328.419 3.902 20 30 EHEDMO N#Cc1ccc(CCNc2c[nH+]c3c(Br)cccn23)cc1 ZINC001167679096 1033780206 /nfs/dbraw/zinc/78/02/06/1033780206.db2.gz GZTFVTRXJXDLOH-UHFFFAOYSA-N 1 1 341.212 3.623 20 30 EHEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000595426071 1033795104 /nfs/dbraw/zinc/79/51/04/1033795104.db2.gz OUOSOEDWSXUMHK-INIZCTEOSA-N 1 1 348.372 3.653 20 30 EHEDMO CCc1ccc(C[N@H+](CC(=O)Nc2sccc2C#N)C2CC2)cc1 ZINC000603629970 1033816285 /nfs/dbraw/zinc/81/62/85/1033816285.db2.gz SJXVOUKHRSWTRH-UHFFFAOYSA-N 1 1 339.464 3.785 20 30 EHEDMO CCc1ccc(C[N@@H+](CC(=O)Nc2sccc2C#N)C2CC2)cc1 ZINC000603629970 1033816305 /nfs/dbraw/zinc/81/63/05/1033816305.db2.gz SJXVOUKHRSWTRH-UHFFFAOYSA-N 1 1 339.464 3.785 20 30 EHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000599259640 1033840099 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337.467 3.786 20 30 EHEDMO Cc1cccc(C)c1[C@H]1CCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599471111 1033945872 /nfs/dbraw/zinc/94/58/72/1033945872.db2.gz ZSWCAJYNLSRQEV-RTBURBONSA-N 1 1 342.483 3.512 20 30 EHEDMO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)CC1CCCC1 ZINC000064021408 1033947900 /nfs/dbraw/zinc/94/79/00/1033947900.db2.gz CWFKBDXWMBTWNY-UHFFFAOYSA-N 1 1 345.512 3.949 20 30 EHEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2C2CCCCC2)cc1 ZINC000603840792 1033953383 /nfs/dbraw/zinc/95/33/83/1033953383.db2.gz UPISQEAYPDCZKE-CTNGQTDRSA-N 1 1 342.483 3.537 20 30 EHEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000117870903 1033987628 /nfs/dbraw/zinc/98/76/28/1033987628.db2.gz AIDRRWNVHWKGNF-UHFFFAOYSA-N 1 1 325.250 3.594 20 30 EHEDMO Cc1cc(NC[C@@H](C)[N@@H+](C)C2CC2)n2c3ccccc3nc2c1C#N ZINC000609040021 1033989767 /nfs/dbraw/zinc/98/97/67/1033989767.db2.gz NZLBCYFNCAQQPB-CQSZACIVSA-N 1 1 333.439 3.562 20 30 EHEDMO Cc1cccc2sc(C(=O)NC3(C#N)CC[NH+](C)CC3)c(Cl)c21 ZINC000603886328 1034008576 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3.866 20 30 EHEDMO N#CC1(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CCCCC1 ZINC000609444682 1034214999 /nfs/dbraw/zinc/21/49/99/1034214999.db2.gz SEXSJHRLVHSNTE-GOSISDBHSA-N 1 1 331.504 3.621 20 30 EHEDMO C=CCC1(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)CCC1 ZINC000456319981 1034325404 /nfs/dbraw/zinc/32/54/04/1034325404.db2.gz BZTGZRHETPBVLU-GOSISDBHSA-N 1 1 326.484 3.713 20 30 EHEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CNCC[C@@H]1c1ccccc1 ZINC000596647986 1034346460 /nfs/dbraw/zinc/34/64/60/1034346460.db2.gz FKKLMOGZDFONAW-BHIFYINESA-N 1 1 331.463 3.671 20 30 EHEDMO C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000450454985 1034364096 /nfs/dbraw/zinc/36/40/96/1034364096.db2.gz STUXZMLEJQNUDB-BRKWEVRTSA-N 1 1 334.463 3.923 20 30 EHEDMO C=CCCCCCN(C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472379748 1034364060 /nfs/dbraw/zinc/36/40/60/1034364060.db2.gz DRLCCVJNRAGUGM-FQEVSTJZSA-N 1 1 343.515 3.896 20 30 EHEDMO N#Cc1cccc(OCCC[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC000612174417 1034379014 /nfs/dbraw/zinc/37/90/14/1034379014.db2.gz KNXNNZOVWLQTLD-FQEVSTJZSA-N 1 1 340.398 3.620 20 30 EHEDMO CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1F ZINC000604493438 1034397821 /nfs/dbraw/zinc/39/78/21/1034397821.db2.gz XPXIRBAKMAXNFW-UHFFFAOYSA-N 1 1 339.414 3.938 20 30 EHEDMO CCCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)c1ccc(C)o1 ZINC000604493688 1034400634 /nfs/dbraw/zinc/40/06/34/1034400634.db2.gz YJMCVRTWROKQID-VQIMIIECSA-N 1 1 333.476 3.806 20 30 EHEDMO CCCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)c1ccc(C)o1 ZINC000604493688 1034400640 /nfs/dbraw/zinc/40/06/40/1034400640.db2.gz YJMCVRTWROKQID-VQIMIIECSA-N 1 1 333.476 3.806 20 30 EHEDMO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c(Cl)c1 ZINC000612186095 1034431781 /nfs/dbraw/zinc/43/17/81/1034431781.db2.gz OXJWBZPQAWFLNT-LBPRGKRZSA-N 1 1 345.805 3.949 20 30 EHEDMO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)c1C ZINC000596978101 1034477300 /nfs/dbraw/zinc/47/73/00/1034477300.db2.gz SNFJXECDHSGVLN-UHFFFAOYSA-N 1 1 347.462 3.929 20 30 EHEDMO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)c1C ZINC000596978101 1034477308 /nfs/dbraw/zinc/47/73/08/1034477308.db2.gz SNFJXECDHSGVLN-UHFFFAOYSA-N 1 1 347.462 3.929 20 30 EHEDMO CN(Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000596983280 1034481884 /nfs/dbraw/zinc/48/18/84/1034481884.db2.gz UAHNOPJTMCDTNB-QFIPXVFZSA-N 1 1 345.490 3.948 20 30 EHEDMO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000596983280 1034481891 /nfs/dbraw/zinc/48/18/91/1034481891.db2.gz UAHNOPJTMCDTNB-QFIPXVFZSA-N 1 1 345.490 3.948 20 30 EHEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000596983280 1034481900 /nfs/dbraw/zinc/48/19/00/1034481900.db2.gz UAHNOPJTMCDTNB-QFIPXVFZSA-N 1 1 345.490 3.948 20 30 EHEDMO C[C@@]1(CNC(=O)c2ccccc2CC#N)CCC[N@H+]1Cc1ccccc1 ZINC000601470481 1034551933 /nfs/dbraw/zinc/55/19/33/1034551933.db2.gz IEUVWNWJVAZZPS-QFIPXVFZSA-N 1 1 347.462 3.537 20 30 EHEDMO N#CC1(c2ccc(C[N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)cc2)CC1 ZINC000597133124 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EHEDMO COc1cc([C@H](C)[NH2+]Cc2ccncc2C#N)ccc1OCC(C)C ZINC000592095436 1037833194 /nfs/dbraw/zinc/83/31/94/1037833194.db2.gz WZLYMJVZONUGDO-HNNXBMFYSA-N 1 1 339.439 3.847 20 30 EHEDMO N#CCc1ccc(C[N@@H+]2CCC[C@@H](O)[C@H]2CCc2ccccc2)cc1 ZINC000592166790 1037862040 /nfs/dbraw/zinc/86/20/40/1037862040.db2.gz IICAQTDBQUAQAY-FGZHOGPDSA-N 1 1 334.463 3.711 20 30 EHEDMO C[C@@H]1CC2(C[N@H+]1Cc1ccc(C#N)cc1OC(F)F)CCOCC2 ZINC000592182712 1037909245 /nfs/dbraw/zinc/90/92/45/1037909245.db2.gz PZSKHZMJVSJTDP-CYBMUJFWSA-N 1 1 336.382 3.551 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](O)[C@H]2CCc2ccccc2)cc1F ZINC000592165830 1037910378 /nfs/dbraw/zinc/91/03/78/1037910378.db2.gz FSPDQUVNZOHJIX-NHCUHLMSSA-N 1 1 338.426 3.655 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+](C)C2CCN(CC)CC2)ccc1OC ZINC000125290496 1038305352 /nfs/dbraw/zinc/30/53/52/1038305352.db2.gz CGIHEIPTCGNCBG-UHFFFAOYSA-N 1 1 332.488 3.566 20 30 EHEDMO C=C(C)COc1cc(C[N@H+](C)C2CCN(CC)CC2)ccc1OC ZINC000125290496 1038305368 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3.965 20 30 EHEDMO C=C(C)C[N@H+](CC/C=C\c1cncc(OC)c1)Cc1ccc(CO)o1 ZINC000584587782 1039312827 /nfs/dbraw/zinc/31/28/27/1039312827.db2.gz CGOHWIRDOYGBEW-XQRVVYSFSA-N 1 1 342.439 3.657 20 30 EHEDMO C[N@@H+](CCNC(=O)N[C@H](CCCC#N)c1ccccc1)C1CCCC1 ZINC000431921511 1039432826 /nfs/dbraw/zinc/43/28/26/1039432826.db2.gz XHZPXEOBHLGMFF-LJQANCHMSA-N 1 1 342.487 3.595 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)cc1Cl ZINC000485720098 1039459173 /nfs/dbraw/zinc/45/91/73/1039459173.db2.gz QMOWAXHUWJUPJX-ZDUSSCGKSA-N 1 1 338.879 3.640 20 30 EHEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)cc1Cl ZINC000485720098 1039459184 /nfs/dbraw/zinc/45/91/84/1039459184.db2.gz QMOWAXHUWJUPJX-ZDUSSCGKSA-N 1 1 338.879 3.640 20 30 EHEDMO C=CCn1cccc1C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000489041962 1039581529 /nfs/dbraw/zinc/58/15/29/1039581529.db2.gz OOECGAGLEYLJEL-SFHVURJKSA-N 1 1 343.515 3.791 20 30 EHEDMO N#Cc1ccc(Cl)cc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000480574279 1039718574 /nfs/dbraw/zinc/71/85/74/1039718574.db2.gz DUPLNVSUJBSSKG-HDICACEKSA-N 1 1 337.854 3.780 20 30 EHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCCC[C@@H]3C)sc2C1 ZINC000553063234 1039745366 /nfs/dbraw/zinc/74/53/66/1039745366.db2.gz HPZFGDNOOMSARA-KGLIPLIRSA-N 1 1 345.512 3.948 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc2oc(=O)oc2c1 ZINC000894086317 1040043569 /nfs/dbraw/zinc/04/35/69/1040043569.db2.gz VDWSTVSJLXNRKP-SJORKVTESA-N 1 1 334.375 3.658 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc2oc(=O)oc2c1 ZINC000894086317 1040043594 /nfs/dbraw/zinc/04/35/94/1040043594.db2.gz VDWSTVSJLXNRKP-SJORKVTESA-N 1 1 334.375 3.658 20 30 EHEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)N[C@H](C)CCC)C2)c1 ZINC000512547737 1040075467 /nfs/dbraw/zinc/07/54/67/1040075467.db2.gz RSMJXTAYFLCDLC-MJGOQNOKSA-N 1 1 344.499 3.768 20 30 EHEDMO N#CC1(CN[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000584850738 1040099402 /nfs/dbraw/zinc/09/94/02/1040099402.db2.gz MYCOVVXTKWBSIB-LEWJYISDSA-N 1 1 331.463 3.548 20 30 EHEDMO N#CCc1ccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c(Cl)c1 ZINC000569437058 1040140432 /nfs/dbraw/zinc/14/04/32/1040140432.db2.gz PRSBQCCPFQDRKO-HNNXBMFYSA-N 1 1 345.874 3.999 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](C)Cc1ccccc1C ZINC000573551122 1040147716 /nfs/dbraw/zinc/14/77/16/1040147716.db2.gz VVMDWUWDXNYJLX-QGZVFWFLSA-N 1 1 338.451 3.817 20 30 EHEDMO CC[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1nnc2n1CCCCC2 ZINC000573647257 1040184692 /nfs/dbraw/zinc/18/46/92/1040184692.db2.gz JJKVUIWGERREAP-QZTJIDSGSA-N 1 1 335.455 3.604 20 30 EHEDMO C=CC1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489857180 1040211515 /nfs/dbraw/zinc/21/15/15/1040211515.db2.gz QHNOYKQSCXJCPV-PXNSSMCTSA-N 1 1 341.499 3.505 20 30 EHEDMO CN(C)C(=O)c1ccccc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000417782670 1040233160 /nfs/dbraw/zinc/23/31/60/1040233160.db2.gz LWETZARETDAVAW-RTWAWAEBSA-N 1 1 347.462 3.660 20 30 EHEDMO CN(C)C(=O)c1ccccc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000417782670 1040233174 /nfs/dbraw/zinc/23/31/74/1040233174.db2.gz LWETZARETDAVAW-RTWAWAEBSA-N 1 1 347.462 3.660 20 30 EHEDMO CCC1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000053379303 1040266480 /nfs/dbraw/zinc/26/64/80/1040266480.db2.gz LGWAQXAORCWFFC-GFCCVEGCSA-N 1 1 331.485 3.557 20 30 EHEDMO C=CCNC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000489999251 1040278470 /nfs/dbraw/zinc/27/84/70/1040278470.db2.gz LZWWTJPQTKBJHG-UHFFFAOYSA-N 1 1 337.467 3.516 20 30 EHEDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)CC(=O)Nc1sccc1C#N ZINC000120454429 1040456228 /nfs/dbraw/zinc/45/62/28/1040456228.db2.gz BPMQUVSOZJURJH-KRWDZBQOSA-N 1 1 341.480 3.901 20 30 EHEDMO C[C@@H](NCC1([NH+]2CCSCC2)CCCC1)c1ccc(C#N)cc1F ZINC000512671052 1040478698 /nfs/dbraw/zinc/47/86/98/1040478698.db2.gz DJQSSGAOWUQQIS-OAHLLOKOSA-N 1 1 347.503 3.710 20 30 EHEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000481272416 1040590239 /nfs/dbraw/zinc/59/02/39/1040590239.db2.gz VRMQDESRAZTFHN-LBPRGKRZSA-N 1 1 333.432 3.784 20 30 EHEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000481272416 1040590260 /nfs/dbraw/zinc/59/02/60/1040590260.db2.gz VRMQDESRAZTFHN-LBPRGKRZSA-N 1 1 333.432 3.784 20 30 EHEDMO Cc1ccccc1-n1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)nn1 ZINC000418142591 1040652673 /nfs/dbraw/zinc/65/26/73/1040652673.db2.gz HEUMIMPOSCTBEI-HXUWFJFHSA-N 1 1 343.434 3.615 20 30 EHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000462000200 1040675415 /nfs/dbraw/zinc/67/54/15/1040675415.db2.gz BNRCUKYUYUOFDO-ZDUSSCGKSA-N 1 1 343.924 3.828 20 30 EHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@H](C)c1ccccc1 ZINC000614227523 1040766304 /nfs/dbraw/zinc/76/63/04/1040766304.db2.gz UWBRYDSGQRLEFS-XLIONFOSSA-N 1 1 325.452 3.848 20 30 EHEDMO N#C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000487266856 1040861529 /nfs/dbraw/zinc/86/15/29/1040861529.db2.gz JVMOXFUWHPMMJZ-QAPCUYQASA-N 1 1 345.874 3.675 20 30 EHEDMO CC(C)[C@@H]1CN(C(=O)CCCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000600252748 1040908906 /nfs/dbraw/zinc/90/89/06/1040908906.db2.gz MWAPZBXQFFMFAV-FQEVSTJZSA-N 1 1 341.499 3.829 20 30 EHEDMO C=C(C)[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000481610214 1041136082 /nfs/dbraw/zinc/13/60/82/1041136082.db2.gz PSOOODLUMLGXFJ-IRWQIABSSA-N 1 1 336.426 3.867 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC000570931524 1041137519 /nfs/dbraw/zinc/13/75/19/1041137519.db2.gz TXXLCIBRJRDKRX-OAHLLOKOSA-N 1 1 325.343 3.595 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000481616555 1041151352 /nfs/dbraw/zinc/15/13/52/1041151352.db2.gz VHVHKDYYZDTBLM-KBXCAEBGSA-N 1 1 336.426 3.985 20 30 EHEDMO N#Cc1ccc2nc(N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2c1 ZINC000092923887 1041443650 /nfs/dbraw/zinc/44/36/50/1041443650.db2.gz HPWSEUIVTHMLPH-YLJYHZDGSA-N 1 1 332.451 3.560 20 30 EHEDMO Cc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)ccc1C#N ZINC000511779989 1041604324 /nfs/dbraw/zinc/60/43/24/1041604324.db2.gz WSRIXZSHMXFBEB-FSSWDIPSSA-N 1 1 332.447 3.871 20 30 EHEDMO CC(C)n1cnnc1[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000093201809 1041973176 /nfs/dbraw/zinc/97/31/76/1041973176.db2.gz FKQFQXPZFBBSTK-KRWDZBQOSA-N 1 1 342.874 3.744 20 30 EHEDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000093201809 1041973180 /nfs/dbraw/zinc/97/31/80/1041973180.db2.gz FKQFQXPZFBBSTK-KRWDZBQOSA-N 1 1 342.874 3.744 20 30 EHEDMO CC(C)[C@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)N1CCC(C)CC1 ZINC000236722297 1042083827 /nfs/dbraw/zinc/08/38/27/1042083827.db2.gz CNCALKXXPPPXGK-RXVVDRJESA-N 1 1 343.515 3.824 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661438126 1042118185 /nfs/dbraw/zinc/11/81/85/1042118185.db2.gz BBUPXKPEIZDOLA-FUHWJXTLSA-N 1 1 328.456 3.786 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661438126 1042118188 /nfs/dbraw/zinc/11/81/88/1042118188.db2.gz BBUPXKPEIZDOLA-FUHWJXTLSA-N 1 1 328.456 3.786 20 30 EHEDMO Cc1[nH+]c(N)ccc1CNc1nc(Cl)cc(C(F)(F)F)c1C#N ZINC001167780767 1042211715 /nfs/dbraw/zinc/21/17/15/1042211715.db2.gz BDDUBRBPMZKGRQ-UHFFFAOYSA-N 1 1 341.724 3.523 20 30 EHEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H](CCF)C2)c2ccccc21 ZINC000661695050 1042256832 /nfs/dbraw/zinc/25/68/32/1042256832.db2.gz CIQPXAMORYWKFL-MRXNPFEDSA-N 1 1 341.430 3.809 20 30 EHEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H](CCF)C2)c2ccccc21 ZINC000661695050 1042256838 /nfs/dbraw/zinc/25/68/38/1042256838.db2.gz CIQPXAMORYWKFL-MRXNPFEDSA-N 1 1 341.430 3.809 20 30 EHEDMO CC(C)[N@H+](C)CCNCc1cccc(OCc2ccccc2C#N)c1 ZINC000066905714 1042311882 /nfs/dbraw/zinc/31/18/82/1042311882.db2.gz PWYCQYQNLDSMPB-UHFFFAOYSA-N 1 1 337.467 3.567 20 30 EHEDMO CC(C)[N@@H+](C)CCNCc1cccc(OCc2ccccc2C#N)c1 ZINC000066905714 1042311888 /nfs/dbraw/zinc/31/18/88/1042311888.db2.gz PWYCQYQNLDSMPB-UHFFFAOYSA-N 1 1 337.467 3.567 20 30 EHEDMO C=CC[N@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)C(C)(C)C ZINC000661760700 1042313328 /nfs/dbraw/zinc/31/33/28/1042313328.db2.gz XANLSFAZWCLVQM-UHFFFAOYSA-N 1 1 340.851 3.582 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1cccnc1 ZINC000093872418 1042565611 /nfs/dbraw/zinc/56/56/11/1042565611.db2.gz NOELSSFDWIRGPL-WOJBJXKFSA-N 1 1 343.434 3.743 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1c[nH]nc1-c1cccnc1 ZINC000093872418 1042565615 /nfs/dbraw/zinc/56/56/15/1042565615.db2.gz NOELSSFDWIRGPL-WOJBJXKFSA-N 1 1 343.434 3.743 20 30 EHEDMO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)cc1OC ZINC000628313646 1042573317 /nfs/dbraw/zinc/57/33/17/1042573317.db2.gz WQKHGXJTXALIHT-DZGCQCFKSA-N 1 1 339.863 3.506 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000159230560 1042753478 /nfs/dbraw/zinc/75/34/78/1042753478.db2.gz JBYZSDOOSWQETD-UHFFFAOYSA-N 1 1 335.451 3.799 20 30 EHEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000159230560 1042753481 /nfs/dbraw/zinc/75/34/81/1042753481.db2.gz JBYZSDOOSWQETD-UHFFFAOYSA-N 1 1 335.451 3.799 20 30 EHEDMO CC[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000343915609 1042820386 /nfs/dbraw/zinc/82/03/86/1042820386.db2.gz XAEUCHNNHWBBKV-MSOLQXFVSA-N 1 1 327.472 3.834 20 30 EHEDMO N#Cc1ccccc1OCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000343923065 1042841156 /nfs/dbraw/zinc/84/11/56/1042841156.db2.gz DUUDUMLXBFHTOT-UHFFFAOYSA-N 1 1 337.379 3.510 20 30 EHEDMO C=CC[C@H]1CCN(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000636910160 1042862884 /nfs/dbraw/zinc/86/28/84/1042862884.db2.gz QIPDQLPOYGTBFT-WBVHZDCISA-N 1 1 338.455 3.849 20 30 EHEDMO CN(C(=O)C[N@@H+](C)C(C)(C)c1ccccc1)C1(C#N)CCCCC1 ZINC000585754284 1043022080 /nfs/dbraw/zinc/02/20/80/1043022080.db2.gz FBWZZGGJEBXIKU-UHFFFAOYSA-N 1 1 327.472 3.538 20 30 EHEDMO C=CC[C@H](CC)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000512168876 1043568535 /nfs/dbraw/zinc/56/85/35/1043568535.db2.gz WGZGDGOBHYKTAQ-RBUKOAKNSA-N 1 1 343.515 3.941 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2CC#N)cc1)C1CC1 ZINC000344395735 1043945444 /nfs/dbraw/zinc/94/54/44/1043945444.db2.gz RSJMJSBGFFSLKN-UHFFFAOYSA-N 1 1 333.435 3.989 20 30 EHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(OC(F)F)c1 ZINC000512195116 1043974046 /nfs/dbraw/zinc/97/40/46/1043974046.db2.gz KIOOKYCSEPEEMH-UHFFFAOYSA-N 1 1 337.366 3.952 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(OC(F)F)c1 ZINC000512195116 1043974054 /nfs/dbraw/zinc/97/40/54/1043974054.db2.gz KIOOKYCSEPEEMH-UHFFFAOYSA-N 1 1 337.366 3.952 20 30 EHEDMO N#CCCn1cc(C[N@H+]2CCC[C@H]2C2CCC2)c(-c2ccncc2)n1 ZINC000279402071 1044038824 /nfs/dbraw/zinc/03/88/24/1044038824.db2.gz MODLHUMARNHZAE-IBGZPJMESA-N 1 1 335.455 3.623 20 30 EHEDMO C[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1(C)C ZINC000279407746 1044049817 /nfs/dbraw/zinc/04/98/17/1044049817.db2.gz NJNLYQOBQROFKO-INIZCTEOSA-N 1 1 337.471 3.727 20 30 EHEDMO CCOc1cc(C#N)ccc1OCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000344658063 1044247372 /nfs/dbraw/zinc/24/73/72/1044247372.db2.gz UVTKVWKNNYQDJD-UHFFFAOYSA-N 1 1 328.387 3.607 20 30 EHEDMO C=CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000734458862 1131238246 /nfs/dbraw/zinc/23/82/46/1131238246.db2.gz CBHQHTIUDXLXKL-RTWAWAEBSA-N 1 1 349.478 3.727 20 30 EHEDMO C=CC[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000623693057 1127022389 /nfs/dbraw/zinc/02/23/89/1127022389.db2.gz AZBXBQDAQUVFOJ-GGPKGHCWSA-N 1 1 341.499 3.505 20 30 EHEDMO CCOc1cc2c(cc1C[NH2+]Cc1csc(C#N)c1)O[C@H](C)C2 ZINC000921503475 1127091107 /nfs/dbraw/zinc/09/11/07/1127091107.db2.gz WTFOVQWIPSDROY-GFCCVEGCSA-N 1 1 328.437 3.632 20 30 EHEDMO CC(C)(C)c1coc(C[NH2+]CCSCc2ccccc2C#N)n1 ZINC000921510056 1127155678 /nfs/dbraw/zinc/15/56/78/1127155678.db2.gz VPNLGTKWMRNFOX-UHFFFAOYSA-N 1 1 329.469 3.867 20 30 EHEDMO C=CCC[C@H](NC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC000623785759 1127162524 /nfs/dbraw/zinc/16/25/24/1127162524.db2.gz HRVBTYRHKZUBRL-MJGOQNOKSA-N 1 1 329.488 3.725 20 30 EHEDMO COc1cccc2c1CC[N@@H+](Cc1cccc(OCCCC#N)c1)C2 ZINC000180782853 1127186501 /nfs/dbraw/zinc/18/65/01/1127186501.db2.gz NHJQSFDMKRHEGV-UHFFFAOYSA-N 1 1 336.435 3.936 20 30 EHEDMO Cc1c([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)nnn1-c1ccc(C)cc1 ZINC000765009487 1127564249 /nfs/dbraw/zinc/56/42/49/1127564249.db2.gz GXHONVMLYUDNOY-OAHLLOKOSA-N 1 1 331.423 3.607 20 30 EHEDMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cc(C#N)ccc2F)CC1 ZINC000888355361 1127899216 /nfs/dbraw/zinc/89/92/16/1127899216.db2.gz PMOYSAMOQAGILN-UHFFFAOYSA-N 1 1 346.450 3.673 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c1C ZINC000347579527 1128113631 /nfs/dbraw/zinc/11/36/31/1128113631.db2.gz IVTUEGAOEQJRJH-RDJZCZTQSA-N 1 1 327.472 3.528 20 30 EHEDMO COc1ccc([C@@H]2C[C@H]([N@H+]3CCc4cc(C#N)ccc4C3)CCO2)cc1 ZINC001168638809 1128550910 /nfs/dbraw/zinc/55/09/10/1128550910.db2.gz XXBWWSMWSHJZRX-IRLDBZIGSA-N 1 1 348.446 3.845 20 30 EHEDMO N#Cc1ccc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c(F)c1 ZINC000301136907 1128574816 /nfs/dbraw/zinc/57/48/16/1128574816.db2.gz AVPLAVQFLCJYCT-UHFFFAOYSA-N 1 1 327.378 3.549 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3cccc(F)c3C#N)c2)CCO1 ZINC000301142425 1128575159 /nfs/dbraw/zinc/57/51/59/1128575159.db2.gz JCHUSLWJQWECCH-OAHLLOKOSA-N 1 1 339.414 3.530 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3cccc(F)c3C#N)c2)CCO1 ZINC000301142425 1128575161 /nfs/dbraw/zinc/57/51/61/1128575161.db2.gz JCHUSLWJQWECCH-OAHLLOKOSA-N 1 1 339.414 3.530 20 30 EHEDMO N#Cc1cc(Cl)ccc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000301216844 1128578633 /nfs/dbraw/zinc/57/86/33/1128578633.db2.gz YYBZCMBSFNVLMV-UHFFFAOYSA-N 1 1 341.842 3.656 20 30 EHEDMO COc1cccc([C@H](C)[NH+]2CCN(c3ccc(F)cc3C#N)CC2)c1 ZINC000301394711 1128589740 /nfs/dbraw/zinc/58/97/40/1128589740.db2.gz DPDQCMHZTFWDIQ-HNNXBMFYSA-N 1 1 339.414 3.589 20 30 EHEDMO Cc1ccc(CNc2snc(Cl)c2C#N)c(N2CCCC2)[nH+]1 ZINC000302038435 1128616143 /nfs/dbraw/zinc/61/61/43/1128616143.db2.gz GTVAUYMXHUVMRP-UHFFFAOYSA-N 1 1 333.848 3.584 20 30 EHEDMO CC(=O)c1ccc(C#N)c(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000302125205 1128621333 /nfs/dbraw/zinc/62/13/33/1128621333.db2.gz VZYZUEBLXNQVLA-NRFANRHFSA-N 1 1 347.462 3.862 20 30 EHEDMO C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000302062260 1128617914 /nfs/dbraw/zinc/61/79/14/1128617914.db2.gz UFPPQNUGBOOHGM-UKRRQHHQSA-N 1 1 328.416 3.531 20 30 EHEDMO CC(=O)c1ccc(C#N)cc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000302085103 1128619003 /nfs/dbraw/zinc/61/90/03/1128619003.db2.gz DRKKLKVAXGEKDX-QFBILLFUSA-N 1 1 339.483 3.852 20 30 EHEDMO CC(=O)c1ccc(C#N)c(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000302120882 1128621185 /nfs/dbraw/zinc/62/11/85/1128621185.db2.gz UDQVMEYWJIMYQG-QGZVFWFLSA-N 1 1 347.462 3.862 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(Cl)c(C#N)n1 ZINC000302163151 1128623370 /nfs/dbraw/zinc/62/33/70/1128623370.db2.gz IEDWDFZQZMUGOP-DYVFJYSZSA-N 1 1 326.831 3.539 20 30 EHEDMO CC#CC(=O)N1CCC[C@]2(CCC[N@H+](C[C@H](CC)CCCC)C2)C1 ZINC001272887403 1128647522 /nfs/dbraw/zinc/64/75/22/1128647522.db2.gz MLHAFUPPTZDIGZ-CTNGQTDRSA-N 1 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/nfs/dbraw/zinc/76/57/59/1128765759.db2.gz ZEYUTLQZOCTLGU-MJGOQNOKSA-N 1 1 347.418 3.612 20 30 EHEDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000063302846 1128868787 /nfs/dbraw/zinc/86/87/87/1128868787.db2.gz HDZHFURHKHVGEH-ZDUSSCGKSA-N 1 1 331.485 3.559 20 30 EHEDMO CC(C)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000063493168 1128880208 /nfs/dbraw/zinc/88/02/08/1128880208.db2.gz AEFOLEWYPFXUTJ-UHFFFAOYSA-N 1 1 331.485 3.557 20 30 EHEDMO C=CC1CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000111742363 1128884727 /nfs/dbraw/zinc/88/47/27/1128884727.db2.gz WUJGNGKOOCISLV-UHFFFAOYSA-N 1 1 345.512 3.665 20 30 EHEDMO COC(=O)c1oc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1C ZINC000063750704 1128896062 /nfs/dbraw/zinc/89/60/62/1128896062.db2.gz CTJYQAJXQLLKGL-UHFFFAOYSA-N 1 1 326.396 3.657 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c2cccnc12 ZINC000063753840 1128896966 /nfs/dbraw/zinc/89/69/66/1128896966.db2.gz PCDWHTMFRRAHRM-UHFFFAOYSA-N 1 1 349.409 3.894 20 30 EHEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCSCC#N ZINC000185938286 1120436101 /nfs/dbraw/zinc/43/61/01/1120436101.db2.gz PDFXDVQFOLKCLD-PMPSAXMXSA-N 1 1 338.517 3.608 20 30 EHEDMO C/C(=C/c1ccccc1)C[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000494294479 1120529109 /nfs/dbraw/zinc/52/91/09/1120529109.db2.gz ZTTPPUQOXRGKNT-LGMDPLHJSA-N 1 1 333.435 3.922 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000494404646 1120550978 /nfs/dbraw/zinc/55/09/78/1120550978.db2.gz KMVWZUYVVCDNFW-YTQUADARSA-N 1 1 327.472 3.572 20 30 EHEDMO CN(Cc1ccc(C#N)cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310407277 1128941877 /nfs/dbraw/zinc/94/18/77/1128941877.db2.gz LUWNYUTXMYHMRL-LJQANCHMSA-N 1 1 339.870 3.918 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N(C)Cc1ccccc1C ZINC000302959895 1121109133 /nfs/dbraw/zinc/10/91/33/1121109133.db2.gz GFOUBKUGNVDZMW-UHFFFAOYSA-N 1 1 336.479 3.684 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N(C)Cc1ccccc1C ZINC000302959895 1121109136 /nfs/dbraw/zinc/10/91/36/1121109136.db2.gz GFOUBKUGNVDZMW-UHFFFAOYSA-N 1 1 336.479 3.684 20 30 EHEDMO Cc1ccc(C#N)c(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC000161557211 1128964325 /nfs/dbraw/zinc/96/43/25/1128964325.db2.gz LSQVBYRBNWJQBJ-WBVHZDCISA-N 1 1 326.469 3.818 20 30 EHEDMO C[C@H](C#N)C[N@@H+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000495719102 1121376635 /nfs/dbraw/zinc/37/66/35/1121376635.db2.gz HODDXCDRPLUMSU-CVEARBPZSA-N 1 1 335.492 3.648 20 30 EHEDMO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)cn1 ZINC000542572781 1121505585 /nfs/dbraw/zinc/50/55/85/1121505585.db2.gz CLHFNNAJBMTMJR-LBPRGKRZSA-N 1 1 334.370 3.788 20 30 EHEDMO N#Cc1cccc(C2(NC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000272326813 1121520883 /nfs/dbraw/zinc/52/08/83/1121520883.db2.gz XDVOXRWQTFQKAX-UHFFFAOYSA-N 1 1 331.463 3.802 20 30 EHEDMO Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000488013372 1121611794 /nfs/dbraw/zinc/61/17/94/1121611794.db2.gz WHOZTOIHPPCHBQ-AVRDEDQJSA-N 1 1 333.479 3.867 20 30 EHEDMO Cc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000488013372 1121611796 /nfs/dbraw/zinc/61/17/96/1121611796.db2.gz WHOZTOIHPPCHBQ-AVRDEDQJSA-N 1 1 333.479 3.867 20 30 EHEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2C/N=C/c2cccc(O)c2O)C1 ZINC000915979990 1122005687 /nfs/dbraw/zinc/00/56/87/1122005687.db2.gz VIJPDEMGJRBFJZ-QPNANDPSSA-N 1 1 338.451 3.949 20 30 EHEDMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1ccccc1C#N ZINC000496482569 1122096222 /nfs/dbraw/zinc/09/62/22/1122096222.db2.gz VFHSINYVAXIWHR-OAHLLOKOSA-N 1 1 335.407 3.708 20 30 EHEDMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1ccccc1C#N ZINC000496482569 1122096225 /nfs/dbraw/zinc/09/62/25/1122096225.db2.gz VFHSINYVAXIWHR-OAHLLOKOSA-N 1 1 335.407 3.708 20 30 EHEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H](O)c1ccccc1Br ZINC000154096940 1122219550 /nfs/dbraw/zinc/21/95/50/1122219550.db2.gz DJEKAVKHWKHQCV-OAHLLOKOSA-N 1 1 339.277 3.744 20 30 EHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)c1ccccc1Br ZINC000154096940 1122219552 /nfs/dbraw/zinc/21/95/52/1122219552.db2.gz DJEKAVKHWKHQCV-OAHLLOKOSA-N 1 1 339.277 3.744 20 30 EHEDMO Cc1cc(C[NH2+][C@H](c2nc(-c3ccncc3)no2)C(C)C)ccc1C#N ZINC000488168082 1122254344 /nfs/dbraw/zinc/25/43/44/1122254344.db2.gz XFGYQTPAXPBSLJ-SFHVURJKSA-N 1 1 347.422 3.799 20 30 EHEDMO C[N@@H+](CCCC(C)(C)C#N)[C@@H](CO)c1cccc(Br)c1 ZINC000125631265 1122322576 /nfs/dbraw/zinc/32/25/76/1122322576.db2.gz MQHLFSJCTLEQHF-HNNXBMFYSA-N 1 1 339.277 3.744 20 30 EHEDMO C=C(C)C[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000497259294 1122425450 /nfs/dbraw/zinc/42/54/50/1122425450.db2.gz DWBUHMKRQGCQEQ-UHFFFAOYSA-N 1 1 326.234 3.618 20 30 EHEDMO N#CCc1cccc(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000067203087 1122504278 /nfs/dbraw/zinc/50/42/78/1122504278.db2.gz GUUYUTXIGDFUMX-FQEVSTJZSA-N 1 1 339.483 3.527 20 30 EHEDMO CC[C@H]1CCCCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072682495 1123142017 /nfs/dbraw/zinc/14/20/17/1123142017.db2.gz XPEIYRWAFYXQTM-HNNXBMFYSA-N 1 1 331.485 3.895 20 30 EHEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000131820594 1123183511 /nfs/dbraw/zinc/18/35/11/1123183511.db2.gz IDUUHGYMBYHGOU-QGZVFWFLSA-N 1 1 328.460 3.602 20 30 EHEDMO C[N@@H+](CCC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C1CCCCC1 ZINC000557080228 1123313908 /nfs/dbraw/zinc/31/39/08/1123313908.db2.gz SAFAJXVSGNGQRD-HXUWFJFHSA-N 1 1 339.483 3.706 20 30 EHEDMO C#Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000920255706 1123344213 /nfs/dbraw/zinc/34/42/13/1123344213.db2.gz UMDZNWNOVMZGNJ-SFHVURJKSA-N 1 1 336.410 3.658 20 30 EHEDMO C=CC[N@H+](CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)C(C)C ZINC000920412300 1123365181 /nfs/dbraw/zinc/36/51/81/1123365181.db2.gz XMKHNKZZPTYKFW-UHFFFAOYSA-N 1 1 340.471 3.714 20 30 EHEDMO C[NH+](C)CCOc1ccc(CN=Nc2cccc(Cl)c2F)cc1 ZINC000921137907 1123470569 /nfs/dbraw/zinc/47/05/69/1123470569.db2.gz SSQSAQUYFMELSM-UHFFFAOYSA-N 1 1 335.810 3.866 20 30 EHEDMO COc1ccc(O)c(/C=N/C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000921261662 1123500884 /nfs/dbraw/zinc/50/08/84/1123500884.db2.gz SIRADMFKRVEWRF-OVBDPADQSA-N 1 1 338.451 3.732 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000135224071 1123592413 /nfs/dbraw/zinc/59/24/13/1123592413.db2.gz GCTDPYDUZWJZLW-OAQYLSRUSA-N 1 1 334.463 3.970 20 30 EHEDMO CCOC(=O)[C@H](CC)[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000615814396 1123887392 /nfs/dbraw/zinc/88/73/92/1123887392.db2.gz JEANXGZDIMIWQK-SFHVURJKSA-N 1 1 328.456 3.794 20 30 EHEDMO CCOC(=O)[C@H](CC)[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000615814396 1123887398 /nfs/dbraw/zinc/88/73/98/1123887398.db2.gz JEANXGZDIMIWQK-SFHVURJKSA-N 1 1 328.456 3.794 20 30 EHEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCOCC3(CCCC3)C2)c1 ZINC000617221268 1124459730 /nfs/dbraw/zinc/45/97/30/1124459730.db2.gz UEGIFWGABRXYLS-UHFFFAOYSA-N 1 1 349.272 3.713 20 30 EHEDMO N#Cc1ccc(Br)c(C[N@H+]2CCOCC3(CCCC3)C2)c1 ZINC000617221268 1124459732 /nfs/dbraw/zinc/45/97/32/1124459732.db2.gz UEGIFWGABRXYLS-UHFFFAOYSA-N 1 1 349.272 3.713 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(F)c(C(F)(F)F)c2)no1 ZINC001212325547 1124670520 /nfs/dbraw/zinc/67/05/20/1124670520.db2.gz ULJHFKKDXCRKKW-LBPRGKRZSA-N 1 1 327.281 3.698 20 30 EHEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000181569477 1124943499 /nfs/dbraw/zinc/94/34/99/1124943499.db2.gz YJTRKUAJOYKHBF-XDNAFOTISA-N 1 1 329.488 3.606 20 30 EHEDMO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181569477 1124943505 /nfs/dbraw/zinc/94/35/05/1124943505.db2.gz YJTRKUAJOYKHBF-XDNAFOTISA-N 1 1 329.488 3.606 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000618312208 1125043682 /nfs/dbraw/zinc/04/36/82/1125043682.db2.gz LIZQRNXJQVROGN-ZBFHGGJFSA-N 1 1 340.389 3.623 20 30 EHEDMO CC(C)c1ccc2ncc(C#N)c(NC[C@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000618582929 1125117291 /nfs/dbraw/zinc/11/72/91/1125117291.db2.gz HKGNCJNPLDDIGW-OAHLLOKOSA-N 1 1 334.467 3.548 20 30 EHEDMO C[C@@H](O)C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C1CCCCC1 ZINC000735310301 1131334435 /nfs/dbraw/zinc/33/44/35/1131334435.db2.gz XSGIZMAYZDGEGE-CQSZACIVSA-N 1 1 336.863 3.758 20 30 EHEDMO N#CCCn1cc(C[N@H+]2CC[C@@H]2c2ccccc2)c(-c2ccncc2)n1 ZINC000619067490 1125271763 /nfs/dbraw/zinc/27/17/63/1125271763.db2.gz VZJJJBDKEWMMQJ-HXUWFJFHSA-N 1 1 343.434 3.806 20 30 EHEDMO CC[N@@H+](CCCc1ccc(Br)cc1OC)C[C@@H](C)C#N ZINC000543130183 1129265597 /nfs/dbraw/zinc/26/55/97/1129265597.db2.gz WGQZXASMNMLQOC-ZDUSSCGKSA-N 1 1 339.277 3.872 20 30 EHEDMO C[C@@H]1C[C@@H](NC(=O)Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000079775928 1129295094 /nfs/dbraw/zinc/29/50/94/1129295094.db2.gz GFRQMBWOVNZQMR-UZLBHIALSA-N 1 1 348.450 3.733 20 30 EHEDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NCC(C)(C)C#N)c1 ZINC000499729844 1129424876 /nfs/dbraw/zinc/42/48/76/1129424876.db2.gz IYXKPPVWTXMNSS-UHFFFAOYSA-N 1 1 344.503 3.658 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2c(C#N)nnc3ccccc32)C1 ZINC000265874992 1129590079 /nfs/dbraw/zinc/59/00/79/1129590079.db2.gz WQXBVCSVHIVYHZ-IRXDYDNUSA-N 1 1 349.482 3.592 20 30 EHEDMO N#Cc1c(F)cccc1CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000428976590 1129657782 /nfs/dbraw/zinc/65/77/82/1129657782.db2.gz KNJXKWFFFNJARY-QFIPXVFZSA-N 1 1 349.453 3.795 20 30 EHEDMO N#CC1CC[NH+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000347854557 1129930689 /nfs/dbraw/zinc/93/06/89/1129930689.db2.gz RKLJKRJJEUWJOC-UHFFFAOYSA-N 1 1 334.345 3.627 20 30 EHEDMO N#Cc1ccc(C[N@H+](Cc2cc3ccccc3[nH]c2=O)C2CC2)cc1 ZINC000171921596 1130097555 /nfs/dbraw/zinc/09/75/55/1130097555.db2.gz JCLXJUNTJMBFLO-UHFFFAOYSA-N 1 1 329.403 3.564 20 30 EHEDMO COc1c(Br)cccc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000172925035 1130168086 /nfs/dbraw/zinc/16/80/86/1130168086.db2.gz QRDCDMROUWCLNI-UHFFFAOYSA-N 1 1 345.240 3.961 20 30 EHEDMO COc1c(Br)cccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000172925035 1130168088 /nfs/dbraw/zinc/16/80/88/1130168088.db2.gz QRDCDMROUWCLNI-UHFFFAOYSA-N 1 1 345.240 3.961 20 30 EHEDMO C[C@@H](C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)NC(=O)OC(C)(C)C ZINC000785478090 1130329627 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EHEDMO CC[NH+](CC)[C@H](C(=O)OCc1ccc(F)cc1C#N)c1ccccc1 ZINC000732348321 1130913533 /nfs/dbraw/zinc/91/35/33/1130913533.db2.gz KEFOVPDLXFPYHB-IBGZPJMESA-N 1 1 340.398 3.824 20 30 EHEDMO C#CCOc1ccc(C[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000733326242 1131026707 /nfs/dbraw/zinc/02/67/07/1131026707.db2.gz QYGWQTPGVKIDIG-JOCHJYFZSA-N 1 1 348.490 3.700 20 30 EHEDMO C#CCOc1ccc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000733326242 1131026712 /nfs/dbraw/zinc/02/67/12/1131026712.db2.gz QYGWQTPGVKIDIG-JOCHJYFZSA-N 1 1 348.490 3.700 20 30 EHEDMO C#CCOc1ccc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000733326242 1131026719 /nfs/dbraw/zinc/02/67/19/1131026719.db2.gz QYGWQTPGVKIDIG-JOCHJYFZSA-N 1 1 348.490 3.700 20 30 EHEDMO C#CCOc1ccccc1C[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000733331698 1131028467 /nfs/dbraw/zinc/02/84/67/1131028467.db2.gz PWCDNDKZOFAUEQ-UHFFFAOYSA-N 1 1 335.432 3.507 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2nn(C)c3ccccc23)c1 ZINC000733800436 1131083024 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EHEDMO COc1cccc(/C=N/C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1O ZINC000741465369 1131605944 /nfs/dbraw/zinc/60/59/44/1131605944.db2.gz UXRWVZYJOMCDDK-GRZVLKHLSA-N 1 1 344.480 3.964 20 30 EHEDMO N#Cc1ccc(F)c(C[NH2+]Cc2ccccc2OCc2ccccn2)c1 ZINC000742381728 1131712998 /nfs/dbraw/zinc/71/29/98/1131712998.db2.gz GJXZYQHGEKBKSB-UHFFFAOYSA-N 1 1 347.393 3.961 20 30 EHEDMO N#Cc1ccc(N2CCC[N@H+](C3CCC4(CCCC4)CC3)CC2)nc1 ZINC001172729199 1131826880 /nfs/dbraw/zinc/82/68/80/1131826880.db2.gz BFPSPDZAGBNNKB-UHFFFAOYSA-N 1 1 338.499 3.968 20 30 EHEDMO COc1cccc(/C=N\[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1O ZINC000743044542 1131842496 /nfs/dbraw/zinc/84/24/96/1131842496.db2.gz LDMJHBBIWIIPTB-CPEHUTGBSA-N 1 1 335.407 3.537 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)[C@H](C)[C@@H]1c1ccccc1 ZINC000743353235 1131897570 /nfs/dbraw/zinc/89/75/70/1131897570.db2.gz WGWXXVPMYVCHEW-DYESRHJHSA-N 1 1 347.462 3.947 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)[C@H](C)[C@@H]1c1ccccc1 ZINC000743353235 1131897576 /nfs/dbraw/zinc/89/75/76/1131897576.db2.gz WGWXXVPMYVCHEW-DYESRHJHSA-N 1 1 347.462 3.947 20 30 EHEDMO C[C@@H]1CCC[N@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C[C@@H]1C ZINC001172980343 1131924168 /nfs/dbraw/zinc/92/41/68/1131924168.db2.gz MVOXBIHOLJJOHM-QZWWFDLISA-N 1 1 335.492 3.646 20 30 EHEDMO C[N@@H+](Cc1ccc(F)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172979088 1131924598 /nfs/dbraw/zinc/92/45/98/1131924598.db2.gz BSYRQCKCPLNHPJ-IRXDYDNUSA-N 1 1 347.434 3.549 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC3(CCCC3)C2)cc1 ZINC000743864175 1131991870 /nfs/dbraw/zinc/99/18/70/1131991870.db2.gz JKBIFVXIWYWJAB-GOSISDBHSA-N 1 1 339.483 3.896 20 30 EHEDMO C[C@H]1C[N@H+](CCCOc2ccc(C#N)cc2)[C@@H](c2ccccc2)CO1 ZINC000743873744 1131997735 /nfs/dbraw/zinc/99/77/35/1131997735.db2.gz UDZSYYJBXFXXHC-LAUBAEHRSA-N 1 1 336.435 3.789 20 30 EHEDMO C[C@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)[C@@H](c2ccccc2)CO1 ZINC000743873744 1131997745 /nfs/dbraw/zinc/99/77/45/1131997745.db2.gz UDZSYYJBXFXXHC-LAUBAEHRSA-N 1 1 336.435 3.789 20 30 EHEDMO C[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)[C@H](c2ccccc2)CO1 ZINC000743873745 1131997919 /nfs/dbraw/zinc/99/79/19/1131997919.db2.gz UDZSYYJBXFXXHC-UTKZUKDTSA-N 1 1 336.435 3.789 20 30 EHEDMO C[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)[C@H](c2ccccc2)CO1 ZINC000743873745 1131997925 /nfs/dbraw/zinc/99/79/25/1131997925.db2.gz UDZSYYJBXFXXHC-UTKZUKDTSA-N 1 1 336.435 3.789 20 30 EHEDMO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1[C@@H](CCCC)CC(C)C ZINC001173260052 1132022499 /nfs/dbraw/zinc/02/24/99/1132022499.db2.gz KOJDYTSFDLLMJO-WMZOPIPTSA-N 1 1 334.508 3.522 20 30 EHEDMO C=CCOC1CCC([N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)CC1 ZINC001173322216 1132045936 /nfs/dbraw/zinc/04/59/36/1132045936.db2.gz YXRUPKNDXHCXOL-LMPOIIKSSA-N 1 1 335.410 3.526 20 30 EHEDMO N#CCC1CCC([N@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)CC1 ZINC001173337236 1132052740 /nfs/dbraw/zinc/05/27/40/1132052740.db2.gz CGYZPCRNMZGFGL-HPZPOOBXSA-N 1 1 332.451 3.989 20 30 EHEDMO N#CCC1CCC([N@H+]2CCC[C@@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001173338866 1132054699 /nfs/dbraw/zinc/05/46/99/1132054699.db2.gz AQIFUKCIUOCXRK-SKINQDTJSA-N 1 1 340.467 3.914 20 30 EHEDMO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173592243 1132097831 /nfs/dbraw/zinc/09/78/31/1132097831.db2.gz LXSGBHKDMOQALR-PBPGXSGUSA-N 1 1 329.463 3.804 20 30 EHEDMO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173593451 1132098312 /nfs/dbraw/zinc/09/83/12/1132098312.db2.gz JEXHIYZPCAGSRV-XRTORIHISA-N 1 1 347.503 3.648 20 30 EHEDMO COc1cc(C[N@@H+](C)C2CCC(C)(C#N)CC2)cc(OC)c1OC ZINC001173599268 1132102380 /nfs/dbraw/zinc/10/23/80/1132102380.db2.gz JERFWJBNTULDDK-UHFFFAOYSA-N 1 1 332.444 3.617 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccccc1F)[C@H]2CC ZINC001203348197 1132126942 /nfs/dbraw/zinc/12/69/42/1132126942.db2.gz MERBHHLPONZMLO-ICSRJNTNSA-N 1 1 330.447 3.747 20 30 EHEDMO N#Cc1cc(Cl)ccc1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174445316 1132361942 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346.434 3.795 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000121347218 1132756155 /nfs/dbraw/zinc/75/61/55/1132756155.db2.gz MITDKFRFESWZCH-KRWDZBQOSA-N 1 1 346.434 3.795 20 30 EHEDMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(Cc2ccc(C#N)o2)CC1 ZINC001175907677 1132794689 /nfs/dbraw/zinc/79/46/89/1132794689.db2.gz PBECMVOAJLZSFG-IBGZPJMESA-N 1 1 327.403 3.559 20 30 EHEDMO CC(C)C[N@@H+](CCC#N)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000766897993 1132912223 /nfs/dbraw/zinc/91/22/23/1132912223.db2.gz WHQGZVCZLYQJSM-UHFFFAOYSA-N 1 1 341.377 3.906 20 30 EHEDMO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[NH+]1CCC(C(F)F)CC1 ZINC000767082348 1132946585 /nfs/dbraw/zinc/94/65/85/1132946585.db2.gz JMQDJTKWQNINNA-PDGQHHTCSA-N 1 1 348.437 3.844 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(OCCC)cc2)c1 ZINC000767349672 1132988154 /nfs/dbraw/zinc/98/81/54/1132988154.db2.gz WEPNVEMDOPZFPG-UHFFFAOYSA-N 1 1 336.435 3.527 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(OCCC)cc2)c1 ZINC000767349672 1132988156 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CC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769297545 1133256179 /nfs/dbraw/zinc/25/61/79/1133256179.db2.gz BLKWIZYFIUWKSG-MRXNPFEDSA-N 1 1 347.434 3.529 20 30 EHEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000769485892 1133289526 /nfs/dbraw/zinc/28/95/26/1133289526.db2.gz PRHQCVGAFYPPTB-CZUORRHYSA-N 1 1 349.500 3.745 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](Cc2cc(C#N)cs2)C2CC2)C1 ZINC000769531740 1133310652 /nfs/dbraw/zinc/31/06/52/1133310652.db2.gz WQUMNOMIENKPLL-OAHLLOKOSA-N 1 1 347.484 3.594 20 30 EHEDMO CCCCc1ccc(NC(=O)C=NOCCCn2cc[nH+]c2C)cc1 ZINC000769559889 1133315264 /nfs/dbraw/zinc/31/52/64/1133315264.db2.gz ZKCVJSOUJRLXFA-UHFFFAOYSA-N 1 1 342.443 3.565 20 30 EHEDMO C#CCOc1cccc(Cl)c1CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC001180097402 1133324909 /nfs/dbraw/zinc/32/49/09/1133324909.db2.gz DFYAJORHQNTWQO-INIZCTEOSA-N 1 1 334.891 3.658 20 30 EHEDMO C#Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC001180210664 1133343545 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C[C@@H](CCC#N)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001182584363 1133703361 /nfs/dbraw/zinc/70/33/61/1133703361.db2.gz RDERZAYHZAEAIP-YTQUADARSA-N 1 1 342.483 3.984 20 30 EHEDMO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]CC1(C#N)CCCC1 ZINC001182685858 1133718321 /nfs/dbraw/zinc/71/83/21/1133718321.db2.gz USVGACWKFXPELY-UHFFFAOYSA-N 1 1 339.439 3.827 20 30 EHEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000785996613 1133788983 /nfs/dbraw/zinc/78/89/83/1133788983.db2.gz FXZBYKLVULTWNU-SFHVURJKSA-N 1 1 325.456 3.591 20 30 EHEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000785996613 1133788988 /nfs/dbraw/zinc/78/89/88/1133788988.db2.gz FXZBYKLVULTWNU-SFHVURJKSA-N 1 1 325.456 3.591 20 30 EHEDMO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)cc1OC ZINC001183346310 1133797574 /nfs/dbraw/zinc/79/75/74/1133797574.db2.gz WOHCJQSEXZTTHX-AWEZNQCLSA-N 1 1 339.863 3.506 20 30 EHEDMO C=CCOc1c(Cl)cc(C[N@H+]2C[C@@H](O)CC(C)(C)C2)cc1OC ZINC001183346310 1133797577 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CC(C)(C)OC(=O)NCCC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000774915960 1134124025 /nfs/dbraw/zinc/12/40/25/1134124025.db2.gz WKAQSXRKFXZVPX-MSOLQXFVSA-N 1 1 343.471 3.673 20 30 EHEDMO CC(C)(C)OC(=O)NCCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000774915960 1134124029 /nfs/dbraw/zinc/12/40/29/1134124029.db2.gz WKAQSXRKFXZVPX-MSOLQXFVSA-N 1 1 343.471 3.673 20 30 EHEDMO CCCCCCCS(=O)(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001185909382 1134148345 /nfs/dbraw/zinc/14/83/45/1134148345.db2.gz VNCOEEIZFGSDFR-CALCHBBNSA-N 1 1 346.581 3.633 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001186643858 1134241895 /nfs/dbraw/zinc/24/18/95/1134241895.db2.gz ZGLBGJUXSKHBEF-LBPRGKRZSA-N 1 1 346.780 3.739 20 30 EHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000791569073 1134568922 /nfs/dbraw/zinc/56/89/22/1134568922.db2.gz RNUGHWSIJJRLLE-LJQANCHMSA-N 1 1 326.396 3.707 20 30 EHEDMO CC(C)(C)C(=O)CC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000791623893 1134578316 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347.462 3.592 20 30 EHEDMO COC(=O)C[N@@H+](C1CCCC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395701 1134764233 /nfs/dbraw/zinc/76/42/33/1134764233.db2.gz MUYADUBQEGKXON-UHFFFAOYSA-N 1 1 340.467 3.808 20 30 EHEDMO C#CC[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000792877016 1134810808 /nfs/dbraw/zinc/81/08/08/1134810808.db2.gz PLOZTZSGKCLHHF-GOTSBHOMSA-N 1 1 348.490 3.632 20 30 EHEDMO C#CC[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1 ZINC000792877016 1134810813 /nfs/dbraw/zinc/81/08/13/1134810813.db2.gz PLOZTZSGKCLHHF-GOTSBHOMSA-N 1 1 348.490 3.632 20 30 EHEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC2(C1)CCCCC2 ZINC001191201540 1134815570 /nfs/dbraw/zinc/81/55/70/1134815570.db2.gz AGODGCHAYQVURG-WBTXTPOCSA-N 1 1 345.531 3.962 20 30 EHEDMO N#Cc1ccc(CC[N@H+](CCCO)[C@H]2CCCc3ccccc32)cc1 ZINC001191305052 1134844024 /nfs/dbraw/zinc/84/40/24/1134844024.db2.gz FGCGOZKVMJQANC-QFIPXVFZSA-N 1 1 334.463 3.863 20 30 EHEDMO N#Cc1cccc([C@H](O)C[N@H+]2CC[C@@H](CSc3ccccc3)C2)c1 ZINC001191330208 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C[C@H](Cc1ccc(C#N)cc1)N1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001172311306 1137546316 /nfs/dbraw/zinc/54/63/16/1137546316.db2.gz BJPTYASMBGKPAX-LEOXJPRUSA-N 1 1 345.490 3.696 20 30 EHEDMO CCOC(=O)[C@@]1(C)CCCC[N@H+]([C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172314285 1137546544 /nfs/dbraw/zinc/54/65/44/1137546544.db2.gz IJRUEWQZHIBYIT-UZLBHIALSA-N 1 1 328.456 3.545 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](CCN)C12CC3CC(CC(C3)C1)C2 ZINC001172296592 1137548741 /nfs/dbraw/zinc/54/87/41/1137548741.db2.gz IEMALXGVIKMJAH-LHEVVOJOSA-N 1 1 337.511 3.719 20 30 EHEDMO CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001172353030 1137553810 /nfs/dbraw/zinc/55/38/10/1137553810.db2.gz LCYOJDJESJDRRO-ZWOKBUDYSA-N 1 1 330.472 3.995 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCO[C@]2(CCCN(C(C)=O)C2)C1 ZINC001172355062 1137554186 /nfs/dbraw/zinc/55/41/86/1137554186.db2.gz MEQGHOLHNVPINV-UXHICEINSA-N 1 1 338.536 3.839 20 30 EHEDMO CC(C)[C@H]1[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CC12CCCCCC2 ZINC000871990946 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326.440 3.623 20 30 EHEDMO C#C[C@H]1CCC[N@@H+](Cc2nnc(-c3cc4ccccc4cc3OC)o2)C1 ZINC000878844129 1137729893 /nfs/dbraw/zinc/72/98/93/1137729893.db2.gz RFPXIDSJUFJBCV-HNNXBMFYSA-N 1 1 347.418 3.744 20 30 EHEDMO C#C[C@H]1CCC[N@H+](Cc2nnc(-c3cc4ccccc4cc3OC)o2)C1 ZINC000878844129 1137729894 /nfs/dbraw/zinc/72/98/94/1137729894.db2.gz RFPXIDSJUFJBCV-HNNXBMFYSA-N 1 1 347.418 3.744 20 30 EHEDMO Cc1cccc(-c2noc(C[N@H+](C)CCc3cccc(C#N)c3)n2)c1 ZINC000879434464 1137747699 /nfs/dbraw/zinc/74/76/99/1137747699.db2.gz JHZKTTMQOWUZIL-UHFFFAOYSA-N 1 1 332.407 3.591 20 30 EHEDMO Cc1cccc(-c2noc(C[N@@H+](C)CCc3cccc(C#N)c3)n2)c1 ZINC000879434464 1137747700 /nfs/dbraw/zinc/74/77/00/1137747700.db2.gz JHZKTTMQOWUZIL-UHFFFAOYSA-N 1 1 332.407 3.591 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879558088 1137750912 /nfs/dbraw/zinc/75/09/12/1137750912.db2.gz QWBOKANRUMUSMR-LSDHHAIUSA-N 1 1 348.537 3.588 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879558088 1137750913 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3.558 20 30 EHEDMO C=CCCC[C@@H](NC(=O)NCCn1cc[nH+]c1C)c1ccccc1 ZINC000883263682 1137851413 /nfs/dbraw/zinc/85/14/13/1137851413.db2.gz CLCFVOVXKMQNFU-GOSISDBHSA-N 1 1 326.444 3.588 20 30 EHEDMO C=CCCC[C@@H]([NH2+]Cc1cn(C[C@H]2CCCO2)nn1)c1ccccc1 ZINC000883325084 1137854902 /nfs/dbraw/zinc/85/49/02/1137854902.db2.gz NXIVSEOBTBQSIA-WOJBJXKFSA-N 1 1 340.471 3.644 20 30 EHEDMO Cc1cccc2ncc(C[N@H+]3CCC[C@@H](Oc4ccc(C#N)cc4)C3)n21 ZINC001137200040 1137879838 /nfs/dbraw/zinc/87/98/38/1137879838.db2.gz NLGKUDYXJDJPGB-HXUWFJFHSA-N 1 1 346.434 3.558 20 30 EHEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cc(C#N)ccc2C)c1 ZINC000111741847 1137905416 /nfs/dbraw/zinc/90/54/16/1137905416.db2.gz YJYNOOLBURDYIA-UHFFFAOYSA-N 1 1 336.439 3.640 20 30 EHEDMO CC(C)(C)C[N@H+](CCC#N)CCCc1nc(-c2ccccc2)no1 ZINC000119663112 1137943471 /nfs/dbraw/zinc/94/34/71/1137943471.db2.gz CZKJZBSHNZJMTK-UHFFFAOYSA-N 1 1 326.444 3.931 20 30 EHEDMO C=CCCC[N@H+](C)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000121095461 1137955013 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C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000072828218 1138108180 /nfs/dbraw/zinc/10/81/80/1138108180.db2.gz DOVISICOVKGULX-CQSZACIVSA-N 1 1 331.485 3.751 20 30 EHEDMO C#CCC1(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCC1 ZINC000886794079 1138142287 /nfs/dbraw/zinc/14/22/87/1138142287.db2.gz DRWDXZOFJBHPEE-QGZVFWFLSA-N 1 1 339.483 3.555 20 30 EHEDMO C[C@@H]1C[C@@H](NC(=O)c2cccc(CC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000079709551 1138157852 /nfs/dbraw/zinc/15/78/52/1138157852.db2.gz XWBMDUCZZQEDNJ-UTKZUKDTSA-N 1 1 347.462 3.536 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](C)c1cccc(O)c1 ZINC000080931285 1138164681 /nfs/dbraw/zinc/16/46/81/1138164681.db2.gz BOYVCZBGNVRADW-HNNXBMFYSA-N 1 1 337.423 3.676 20 30 EHEDMO CN(C)C(=O)Sc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000084070942 1138177312 /nfs/dbraw/zinc/17/73/12/1138177312.db2.gz BSHLCWKCRUNEJL-UHFFFAOYSA-N 1 1 339.464 3.964 20 30 EHEDMO N#Cc1ccccc1-c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000091412316 1138219375 /nfs/dbraw/zinc/21/93/75/1138219375.db2.gz CFTLICHITJUPQT-LEWJYISDSA-N 1 1 331.463 3.942 20 30 EHEDMO N#Cc1ccccc1-c1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000091412316 1138219378 /nfs/dbraw/zinc/21/93/78/1138219378.db2.gz CFTLICHITJUPQT-LEWJYISDSA-N 1 1 331.463 3.942 20 30 EHEDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)cc1OC ZINC000124671918 1138292267 /nfs/dbraw/zinc/29/22/67/1138292267.db2.gz OQKGXFCCZSQBQS-MRXNPFEDSA-N 1 1 328.437 3.974 20 30 EHEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)cc1OC ZINC000124671918 1138292268 /nfs/dbraw/zinc/29/22/68/1138292268.db2.gz OQKGXFCCZSQBQS-MRXNPFEDSA-N 1 1 328.437 3.974 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2cnc3ccccc3c2)CC1 ZINC000337132519 1138474614 /nfs/dbraw/zinc/47/46/14/1138474614.db2.gz LNHWBPAJVYOHNX-UHFFFAOYSA-N 1 1 342.446 3.819 20 30 EHEDMO C[NH+](C)Cc1cc(NC(=O)c2ncc(C#N)cc2Cl)ccc1Cl ZINC000337241228 1138505224 /nfs/dbraw/zinc/50/52/24/1138505224.db2.gz GBYIZYUXEFZZKK-UHFFFAOYSA-N 1 1 349.221 3.574 20 30 EHEDMO C[NH+](C)Cc1cc(NC(=O)c2ccc(CC#N)cc2)ccc1Cl ZINC000337250037 1138508668 /nfs/dbraw/zinc/50/86/68/1138508668.db2.gz MIHFRGFOUORMFA-UHFFFAOYSA-N 1 1 327.815 3.720 20 30 EHEDMO CC(C)[C@H](C#N)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000264748698 1138625932 /nfs/dbraw/zinc/62/59/32/1138625932.db2.gz LAXWJHCOBRHREN-FQEVSTJZSA-N 1 1 335.451 3.597 20 30 EHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000135619017 1138762975 /nfs/dbraw/zinc/76/29/75/1138762975.db2.gz ICRQVQZLMUYFHM-UHFFFAOYSA-N 1 1 348.446 3.607 20 30 EHEDMO CCOC(=O)C1CCC([N@@H+](CC)Cc2cc(C#N)ccc2OC)CC1 ZINC000338373711 1138867526 /nfs/dbraw/zinc/86/75/26/1138867526.db2.gz YOIAXKPFQRHUIR-UHFFFAOYSA-N 1 1 344.455 3.511 20 30 EHEDMO C[C@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1)c1ccc(C#N)cc1 ZINC000338383495 1138876578 /nfs/dbraw/zinc/87/65/78/1138876578.db2.gz ZKSRCUHVQOGEHI-ZDUSSCGKSA-N 1 1 337.814 3.643 20 30 EHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000175829960 1139521063 /nfs/dbraw/zinc/52/10/63/1139521063.db2.gz CKJIMYDJKADVIS-RDJZCZTQSA-N 1 1 330.428 3.847 20 30 EHEDMO C=CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000176737902 1139576036 /nfs/dbraw/zinc/57/60/36/1139576036.db2.gz FJAVQLGZVYAZPV-KRWDZBQOSA-N 1 1 347.478 3.501 20 30 EHEDMO CO[C@H](C)c1nc(CO[NH+]=C(N)CCCc2ccccc2)cs1 ZINC000177576726 1139627209 /nfs/dbraw/zinc/62/72/09/1139627209.db2.gz FKVQTWLWGPZECP-CYBMUJFWSA-N 1 1 333.457 3.662 20 30 EHEDMO C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000178176905 1139677617 /nfs/dbraw/zinc/67/76/17/1139677617.db2.gz BTGNCKFGJQTTJO-SFHVURJKSA-N 1 1 333.479 3.916 20 30 EHEDMO C=CCOc1ccccc1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181654656 1139922191 /nfs/dbraw/zinc/92/21/91/1139922191.db2.gz WLSPQDGCXHPBJO-DLBZAZTESA-N 1 1 342.483 3.634 20 30 EHEDMO C[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000181682035 1139924192 /nfs/dbraw/zinc/92/41/92/1139924192.db2.gz UEZPAELBUACGMK-WIYYLYMNSA-N 1 1 333.479 3.773 20 30 EHEDMO C[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000181682035 1139924199 /nfs/dbraw/zinc/92/41/99/1139924199.db2.gz UEZPAELBUACGMK-WIYYLYMNSA-N 1 1 333.479 3.773 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182846473 1139997064 /nfs/dbraw/zinc/99/70/64/1139997064.db2.gz ZKPOLSLJDQKYSC-HNNXBMFYSA-N 1 1 334.345 3.611 20 30 EHEDMO C[C@@H](C[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1)c1nccs1 ZINC000183250725 1140024803 /nfs/dbraw/zinc/02/48/03/1140024803.db2.gz FAKKOVKDYKKYBW-HNNXBMFYSA-N 1 1 328.485 3.728 20 30 EHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000183755459 1140056961 /nfs/dbraw/zinc/05/69/61/1140056961.db2.gz ZKDVRMZQJXYMCU-MEDUHNTESA-N 1 1 342.270 3.698 20 30 EHEDMO C=C(C)C[C@H](C)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000185731818 1140167423 /nfs/dbraw/zinc/16/74/23/1140167423.db2.gz BOEOUKOQZMFICW-AZUAARDMSA-N 1 1 328.500 3.959 20 30 EHEDMO CC#CCCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000185879188 1140175226 /nfs/dbraw/zinc/17/52/26/1140175226.db2.gz ZYKVZLJJCCBBBG-LEWJYISDSA-N 1 1 338.495 3.693 20 30 EHEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000189018189 1140317162 /nfs/dbraw/zinc/31/71/62/1140317162.db2.gz ZWHCEWTUCLYOKZ-HKUYNNGSSA-N 1 1 326.484 3.902 20 30 EHEDMO Cn1cc(C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)cc1C#N ZINC000191538735 1140471353 /nfs/dbraw/zinc/47/13/53/1140471353.db2.gz OFLXZWBNOMEJAI-OAHLLOKOSA-N 1 1 325.309 3.819 20 30 EHEDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000267037748 1140752510 /nfs/dbraw/zinc/75/25/10/1140752510.db2.gz ODHXEYNPGJHUEO-OWJWWREXSA-N 1 1 342.464 3.519 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c(F)c1 ZINC000267467767 1140794685 /nfs/dbraw/zinc/79/46/85/1140794685.db2.gz WFUGEIHVNSBWCU-WBVHZDCISA-N 1 1 330.428 3.847 20 30 EHEDMO N#Cc1ccc(OC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000350704862 1140956649 /nfs/dbraw/zinc/95/66/49/1140956649.db2.gz YJRXYOATAKXOKH-UHFFFAOYSA-N 1 1 328.362 3.880 20 30 EHEDMO C=CCn1c(SCCCn2cc[nH+]c2C)nnc1-c1cccs1 ZINC000269009682 1141045107 /nfs/dbraw/zinc/04/51/07/1141045107.db2.gz HVOBMLSMLFJKMS-UHFFFAOYSA-N 1 1 345.497 3.880 20 30 EHEDMO CCCc1[nH+]ccn1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000269367952 1141099122 /nfs/dbraw/zinc/09/91/22/1141099122.db2.gz OLRYJMKLMQMTSZ-UHFFFAOYSA-N 1 1 344.846 3.744 20 30 EHEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc(CC#N)cc1 ZINC000270351814 1141210525 /nfs/dbraw/zinc/21/05/25/1141210525.db2.gz CMGIKDZYCYEDAK-CTNGQTDRSA-N 1 1 345.446 3.509 20 30 EHEDMO Cn1c(C[NH2+]C2(c3cccc(C#N)c3)CC2)nc2ccc(Cl)cc21 ZINC000270706524 1141259911 /nfs/dbraw/zinc/25/99/11/1141259911.db2.gz ZIFQGWYKUWBCGE-UHFFFAOYSA-N 1 1 336.826 3.877 20 30 EHEDMO C[N@H+]1CC[C@@H](CNc2ncccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270722706 1141262130 /nfs/dbraw/zinc/26/21/30/1141262130.db2.gz OSLBMVJMEOMCDH-YOEHRIQHSA-N 1 1 344.821 3.851 20 30 EHEDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000016446181 211905235 /nfs/dbraw/zinc/90/52/35/211905235.db2.gz SMIDMNVXWWWOSW-AWEZNQCLSA-N 1 1 345.512 3.949 20 30 EHEDMO Cc1nc2c(n1[C@@H]1CC[N@@H+](Cc3ccc(F)c(C#N)c3)C1)CCCC2 ZINC000275352635 564008757 /nfs/dbraw/zinc/00/87/57/564008757.db2.gz UJQXQURAIQULSJ-QGZVFWFLSA-N 1 1 338.430 3.528 20 30 EHEDMO Cc1ccc2nc(N3C[C@H](C)[N@H+](C)C[C@@H]3C)c(C#N)c(Cl)c2c1 ZINC001164632054 719258186 /nfs/dbraw/zinc/25/81/86/719258186.db2.gz IALPZBVEMCKPFM-STQMWFEESA-N 1 1 328.847 3.597 20 30 EHEDMO CC[N@@H+](CCCC(C)(C)C#N)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821206797 945653463 /nfs/dbraw/zinc/65/34/63/945653463.db2.gz FLRLFGUBPZVLMM-CQSZACIVSA-N 1 1 326.448 3.580 20 30 EHEDMO CCN1CC[NH+](Cc2ccc(N[C@@H](C)c3ccc(C#N)cc3)cc2)CC1 ZINC000183180728 1125466273 /nfs/dbraw/zinc/46/62/73/1125466273.db2.gz VNNMKAKCKCMXBH-SFHVURJKSA-N 1 1 348.494 3.869 20 30 EHEDMO Cc1ccc(C[NH2+][C@H](C)c2nc(Br)cs2)cc1C#N ZINC000926965063 1032074747 /nfs/dbraw/zinc/07/47/47/1032074747.db2.gz OMOXRUPWAUGCKJ-SNVBAGLBSA-N 1 1 336.258 3.937 20 30 EHEDMO C[N@@H+](CCc1ccccc1)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000339283507 1014155958 /nfs/dbraw/zinc/15/59/58/1014155958.db2.gz VUDOWJVRTPNINI-UHFFFAOYSA-N 1 1 345.446 3.912 20 30 EHEDMO CC[N@@H+](CCC1CCN(c2snc(C)c2C#N)CC1)CC1CC1 ZINC000557646097 1014352976 /nfs/dbraw/zinc/35/29/76/1014352976.db2.gz LBAHNRPHLMNCAT-UHFFFAOYSA-N 1 1 332.517 3.662 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(OC(C)C)c(OC)c2)no1 ZINC000904520807 1032091589 /nfs/dbraw/zinc/09/15/89/1032091589.db2.gz KKTRNEIITXRMHB-CQSZACIVSA-N 1 1 331.416 3.889 20 30 EHEDMO CC(C)Oc1cccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000471145583 1014861074 /nfs/dbraw/zinc/86/10/74/1014861074.db2.gz ODGPMMZZBLQXIS-JOCHJYFZSA-N 1 1 349.478 3.856 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccccc2OC(F)(F)F)no1 ZINC000904538476 1032109218 /nfs/dbraw/zinc/10/92/18/1032109218.db2.gz PJGSSRMFNVUCEP-NSHDSACASA-N 1 1 327.306 3.991 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000127031499 1015179395 /nfs/dbraw/zinc/17/93/95/1015179395.db2.gz ULECGCOZNCIAHB-FQEVSTJZSA-N 1 1 347.462 3.603 20 30 EHEDMO CC[C@H]1CCCCN1C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000339713100 1015588218 /nfs/dbraw/zinc/58/82/18/1015588218.db2.gz WMYMSUBCFBEGFN-IBGZPJMESA-N 1 1 327.472 3.560 20 30 EHEDMO N#Cc1ccc(CC[N@@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)cc1 ZINC001208926061 1015615906 /nfs/dbraw/zinc/61/59/06/1015615906.db2.gz HFYCYAWNZBDJAW-KRWDZBQOSA-N 1 1 328.362 3.532 20 30 EHEDMO C=CCN(CC[N@@H+]1CCC[C@@H]1c1cc(F)cc(F)c1)C(=O)OCC ZINC001209024574 1015692318 /nfs/dbraw/zinc/69/23/18/1015692318.db2.gz UMCBJEUBDWHGKH-QGZVFWFLSA-N 1 1 338.398 3.746 20 30 EHEDMO C=CCN(CC[N@H+]1CCC[C@@H]1c1cc(F)cc(F)c1)C(=O)OCC ZINC001209024574 1015692324 /nfs/dbraw/zinc/69/23/24/1015692324.db2.gz UMCBJEUBDWHGKH-QGZVFWFLSA-N 1 1 338.398 3.746 20 30 EHEDMO N#CCSCCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000154748060 1015794618 /nfs/dbraw/zinc/79/46/18/1015794618.db2.gz MYQRBPOMRCRXJN-SFHVURJKSA-N 1 1 346.521 3.931 20 30 EHEDMO C#CC[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccccc1 ZINC001266348772 1015832402 /nfs/dbraw/zinc/83/24/02/1015832402.db2.gz NRTINXOMMNOLSB-MOPGFXCFSA-N 1 1 340.854 3.824 20 30 EHEDMO C=C(C)CN(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000180543690 1015977987 /nfs/dbraw/zinc/97/79/87/1015977987.db2.gz DRIOPEHSWMMGTQ-QGZVFWFLSA-N 1 1 329.488 3.779 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@@H](COCC)C1 ZINC000748094536 1016204357 /nfs/dbraw/zinc/20/43/57/1016204357.db2.gz NVWFYYOHVKYUPY-OAHLLOKOSA-N 1 1 331.485 3.630 20 30 EHEDMO C=CCCCCCCC[N@@H+]1CCCn2nc(C(=O)OCC)cc2C1 ZINC001209438648 1016284501 /nfs/dbraw/zinc/28/45/01/1016284501.db2.gz QZLCOIBGLLCCEK-UHFFFAOYSA-N 1 1 333.476 3.792 20 30 EHEDMO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)C(=O)Nc1cccc(C#N)c1 ZINC000032801012 1016605780 /nfs/dbraw/zinc/60/57/80/1016605780.db2.gz MMKHCPJNGVAEEM-CHWSQXEVSA-N 1 1 327.815 3.889 20 30 EHEDMO COc1ccc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1C#N ZINC000340182113 1016629453 /nfs/dbraw/zinc/62/94/53/1016629453.db2.gz QQSNUZZDTHKPLG-HXUWFJFHSA-N 1 1 336.435 3.748 20 30 EHEDMO COc1cc(CNC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000311869607 1017045162 /nfs/dbraw/zinc/04/51/62/1017045162.db2.gz YXQCRPSZVHSLAY-JOCHJYFZSA-N 1 1 349.478 3.569 20 30 EHEDMO COc1cc(CNC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000311869607 1017045168 /nfs/dbraw/zinc/04/51/68/1017045168.db2.gz YXQCRPSZVHSLAY-JOCHJYFZSA-N 1 1 349.478 3.569 20 30 EHEDMO COc1cc(C[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)ccc1C#N ZINC000311869607 1017045181 /nfs/dbraw/zinc/04/51/81/1017045181.db2.gz YXQCRPSZVHSLAY-JOCHJYFZSA-N 1 1 349.478 3.569 20 30 EHEDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000536695972 1032153773 /nfs/dbraw/zinc/15/37/73/1032153773.db2.gz OVZXSRLRYNCJPL-LPHOPBHVSA-N 1 1 330.435 3.659 20 30 EHEDMO C[C@@H](Cc1ccccc1)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000449073155 1032160399 /nfs/dbraw/zinc/16/03/99/1032160399.db2.gz HRYZDWAITADZFJ-SFHVURJKSA-N 1 1 333.479 3.743 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cc(N(C)C)nc3ccccc32)no1 ZINC000904616165 1032162406 /nfs/dbraw/zinc/16/24/06/1032162406.db2.gz MBZNLLBLWJRUJA-OAHLLOKOSA-N 1 1 337.427 3.707 20 30 EHEDMO CCOc1cccc([C@@H](C)[NH2+]Cc2cccc(C(=O)OC)c2C#N)c1 ZINC000538181318 1032190083 /nfs/dbraw/zinc/19/00/83/1032190083.db2.gz VJHLTEUOPVDRJK-CQSZACIVSA-N 1 1 338.407 3.594 20 30 EHEDMO CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@H]3CCC[N@H+]3C)ccc2NC1=O ZINC000329775810 1032227547 /nfs/dbraw/zinc/22/75/47/1032227547.db2.gz NJFRCTHBODTZCD-GLQYFDAESA-N 1 1 331.416 3.557 20 30 EHEDMO C=CC[N@@H+](CCC(=O)Nc1cccc(OC)c1)CCc1ccccc1 ZINC000485040907 1032260074 /nfs/dbraw/zinc/26/00/74/1032260074.db2.gz HLEYVRJXKYXJLZ-UHFFFAOYSA-N 1 1 338.451 3.755 20 30 EHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459576821 1032302116 /nfs/dbraw/zinc/30/21/16/1032302116.db2.gz VFFJNRUJZWPLIU-WOJBJXKFSA-N 1 1 339.483 3.658 20 30 EHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459576821 1032302125 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/nfs/dbraw/zinc/74/05/64/1022740564.db2.gz AHGDZBZVNYWTTG-DFQSSKMNSA-N 1 1 341.499 3.647 20 30 EHEDMO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccc2ccccc2c1)C1CC1)C1CC1 ZINC000517853210 1022754784 /nfs/dbraw/zinc/75/47/84/1022754784.db2.gz DSGHPOWOHGQWGR-JOCHJYFZSA-N 1 1 347.462 3.613 20 30 EHEDMO C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccc2ccccc2c1)C1CC1)C1CC1 ZINC000517853210 1022754791 /nfs/dbraw/zinc/75/47/91/1022754791.db2.gz DSGHPOWOHGQWGR-JOCHJYFZSA-N 1 1 347.462 3.613 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000426046085 1022757504 /nfs/dbraw/zinc/75/75/04/1022757504.db2.gz DFVDJZXKVOBCBS-YZGWKJHDSA-N 1 1 341.499 3.790 20 30 EHEDMO CCc1cc(C)cc(CC)c1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000331248151 1022780066 /nfs/dbraw/zinc/78/00/66/1022780066.db2.gz QVWFXVLKNRBBND-UHFFFAOYSA-N 1 1 347.503 3.557 20 30 EHEDMO CCc1cc(C)cc(CC)c1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000331248151 1022780076 /nfs/dbraw/zinc/78/00/76/1022780076.db2.gz QVWFXVLKNRBBND-UHFFFAOYSA-N 1 1 347.503 3.557 20 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3.761 20 30 EHEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(C#N)cc1 ZINC000058952538 1033130301 /nfs/dbraw/zinc/13/03/01/1033130301.db2.gz NGONVMOMQPYQPH-KRWDZBQOSA-N 1 1 347.462 3.863 20 30 EHEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)CC2(CO)CC2)c(Cl)c1 ZINC000341921324 1023698861 /nfs/dbraw/zinc/69/88/61/1023698861.db2.gz YWVNXXCRUMRXSC-UHFFFAOYSA-N 1 1 340.854 3.986 20 30 EHEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)CC2(CO)CC2)c(Cl)c1 ZINC000341921324 1023698866 /nfs/dbraw/zinc/69/88/66/1023698866.db2.gz YWVNXXCRUMRXSC-UHFFFAOYSA-N 1 1 340.854 3.986 20 30 EHEDMO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC[S@]1=O ZINC000277050699 1023723473 /nfs/dbraw/zinc/72/34/73/1023723473.db2.gz CKAZUTKKJBZJFU-VOIUYBSRSA-N 1 1 338.476 3.568 20 30 EHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC[S@]1=O ZINC000277050699 1023723476 /nfs/dbraw/zinc/72/34/76/1023723476.db2.gz CKAZUTKKJBZJFU-VOIUYBSRSA-N 1 1 338.476 3.568 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cc(F)ccc2C#N)C1 ZINC000247685781 1023876781 /nfs/dbraw/zinc/87/67/81/1023876781.db2.gz SDLMOJKBIWPYPE-IRXDYDNUSA-N 1 1 329.463 3.784 20 30 EHEDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(C#N)c1 ZINC000439263431 1024065140 /nfs/dbraw/zinc/06/51/40/1024065140.db2.gz XHUIBUZWOABAIH-OAQYLSRUSA-N 1 1 338.451 3.730 20 30 EHEDMO CC(C)[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)N1CCCC1 ZINC000236698514 1024090225 /nfs/dbraw/zinc/09/02/25/1024090225.db2.gz WFMARRYFGDTWHJ-HXUWFJFHSA-N 1 1 329.488 3.579 20 30 EHEDMO CO[C@](C)(C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)C1CC1 ZINC000329749012 1024173474 /nfs/dbraw/zinc/17/34/74/1024173474.db2.gz TZLMQXUTWQPWOU-SXGZJXTBSA-N 1 1 346.471 3.699 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000614600935 1024176086 /nfs/dbraw/zinc/17/60/86/1024176086.db2.gz PMDKSYKPIJLYAJ-BFYDXBDKSA-N 1 1 343.496 3.751 20 30 EHEDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC000329801032 1024200452 /nfs/dbraw/zinc/20/04/52/1024200452.db2.gz JFWXOSBVGIVILY-ZDUSSCGKSA-N 1 1 331.391 3.545 20 30 EHEDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1cc(-c2cccs2)on1 ZINC000329900152 1024241211 /nfs/dbraw/zinc/24/12/11/1024241211.db2.gz NMRWPLHHPCWMOU-ZDUSSCGKSA-N 1 1 331.441 3.725 20 30 EHEDMO CC[N@@H+](CCCSCC#N)Cc1ccccc1Br ZINC000342156527 1024254546 /nfs/dbraw/zinc/25/45/46/1024254546.db2.gz BSDCDKSYKVYAQK-UHFFFAOYSA-N 1 1 327.291 3.918 20 30 EHEDMO N#Cc1cccc(OCCC[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000575170090 1024263284 /nfs/dbraw/zinc/26/32/84/1024263284.db2.gz BDHAFPNIZABLQH-NJDAHSKKSA-N 1 1 342.483 3.733 20 30 EHEDMO O=C(NC[C@H]1CCCC1=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000330078845 1024313193 /nfs/dbraw/zinc/31/31/93/1024313193.db2.gz IHXPSLIJVDNCNW-HZPDHXFCSA-N 1 1 343.471 3.819 20 30 EHEDMO CC[C@H](C)n1ncc(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1C ZINC000330172613 1024342825 /nfs/dbraw/zinc/34/28/25/1024342825.db2.gz YCGREVNWUHOGAV-ZOCIIQOWSA-N 1 1 340.471 3.565 20 30 EHEDMO Cc1cc(C[NH2+][C@@H](c2nc(-c3cccnc3)no2)C(C)C)ccc1C#N ZINC000443972584 1024352169 /nfs/dbraw/zinc/35/21/69/1024352169.db2.gz YCNRXQOTQXWGBU-GOSISDBHSA-N 1 1 347.422 3.799 20 30 EHEDMO O=C(Nc1cccc(C(=O)N2CCCCC2)c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330256042 1024375928 /nfs/dbraw/zinc/37/59/28/1024375928.db2.gz KIIPUIYZLJNQLR-GOSISDBHSA-N 1 1 341.455 3.528 20 30 EHEDMO O=C(Nc1cccc(C(=O)N2CCCCC2)c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330256042 1024375945 /nfs/dbraw/zinc/37/59/45/1024375945.db2.gz KIIPUIYZLJNQLR-GOSISDBHSA-N 1 1 341.455 3.528 20 30 EHEDMO C[C@H](C#N)Oc1ccc(CN2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cc1 ZINC000895378083 1024428227 /nfs/dbraw/zinc/42/82/27/1024428227.db2.gz PNHPKKJIBGIDTH-QKLQHJQFSA-N 1 1 329.488 3.530 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)CN(C)C)cc1 ZINC000895378083 1024428235 /nfs/dbraw/zinc/42/82/35/1024428235.db2.gz PNHPKKJIBGIDTH-QKLQHJQFSA-N 1 1 329.488 3.530 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)CN(C)C)cc1 ZINC000895378083 1024428241 /nfs/dbraw/zinc/42/82/41/1024428241.db2.gz PNHPKKJIBGIDTH-QKLQHJQFSA-N 1 1 329.488 3.530 20 30 EHEDMO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000434795119 1024430945 /nfs/dbraw/zinc/43/09/45/1024430945.db2.gz MMSPFBBXTWHJDU-PMACEKPBSA-N 1 1 334.419 3.631 20 30 EHEDMO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccc(CC#N)cc1 ZINC000434795119 1024430952 /nfs/dbraw/zinc/43/09/52/1024430952.db2.gz MMSPFBBXTWHJDU-PMACEKPBSA-N 1 1 334.419 3.631 20 30 EHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1)CC(C)(C)C ZINC000507801313 1024448333 /nfs/dbraw/zinc/44/83/33/1024448333.db2.gz KGQXIBIJCYRSQK-HXUWFJFHSA-N 1 1 329.488 3.589 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1)CC(C)(C)C ZINC000507801312 1024448749 /nfs/dbraw/zinc/44/87/49/1024448749.db2.gz KGQXIBIJCYRSQK-FQEVSTJZSA-N 1 1 329.488 3.589 20 30 EHEDMO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1nnc2n1CCCCC2 ZINC000346155974 1024456548 /nfs/dbraw/zinc/45/65/48/1024456548.db2.gz GVBUBXDGXVOLHR-DYVFJYSZSA-N 1 1 341.434 3.817 20 30 EHEDMO CC(C)c1nnc(CC2CC[NH+](CCCCC(C)(C)C#N)CC2)[nH]1 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COC(=O)c1cccc(C[N@@H+](Cc2cccc(F)c2)C(C)C)c1C#N ZINC000535982140 1029491152 /nfs/dbraw/zinc/49/11/52/1029491152.db2.gz ZAPYSOIWXPRFHI-UHFFFAOYSA-N 1 1 340.398 3.895 20 30 EHEDMO C=C[C@@H](CC(=O)Nc1cccnc1-n1cc[nH+]c1C)c1ccccc1 ZINC000155392665 1029523833 /nfs/dbraw/zinc/52/38/33/1029523833.db2.gz QKONOMRDINFQRX-INIZCTEOSA-N 1 1 332.407 3.874 20 30 EHEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCCOc2cccc(C#N)c2)C12CCC2 ZINC001167665118 1029556671 /nfs/dbraw/zinc/55/66/71/1029556671.db2.gz XATAAYCDMIRBMA-RBUKOAKNSA-N 1 1 328.456 3.607 20 30 EHEDMO C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3C2CCCC2)c1 ZINC001272123002 1029573219 /nfs/dbraw/zinc/57/32/19/1029573219.db2.gz IZSFWGXAOJUNKV-YSSFQJQWSA-N 1 1 337.467 3.545 20 30 EHEDMO N#CCC[C@@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000583331078 1029664227 /nfs/dbraw/zinc/66/42/27/1029664227.db2.gz SELZXUPSPDQAEX-LEWJYISDSA-N 1 1 347.462 3.670 20 30 EHEDMO C[C@@]1(c2ccccc2)CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000446730498 1029765860 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CN(C(=O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1)C1(C#N)CCCCC1 ZINC000052455434 1030228477 /nfs/dbraw/zinc/22/84/77/1030228477.db2.gz NRQXPDQCCDPOOU-GOSISDBHSA-N 1 1 343.446 3.647 20 30 EHEDMO C[C@@H]1CC[N@@H+](C)CCN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000537637555 1030269670 /nfs/dbraw/zinc/26/96/70/1030269670.db2.gz YBJCSEJOWPBYCW-GOSISDBHSA-N 1 1 349.478 3.663 20 30 EHEDMO C[C@@H]1CCN(C)CC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000537637555 1030269688 /nfs/dbraw/zinc/26/96/88/1030269688.db2.gz YBJCSEJOWPBYCW-GOSISDBHSA-N 1 1 349.478 3.663 20 30 EHEDMO C[C@@H]1CCN(C)CC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000537637555 1030269704 /nfs/dbraw/zinc/26/97/04/1030269704.db2.gz YBJCSEJOWPBYCW-GOSISDBHSA-N 1 1 349.478 3.663 20 30 EHEDMO C=CCC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000246261715 1030429589 /nfs/dbraw/zinc/42/95/89/1030429589.db2.gz GIWWAFPXJDJVQR-YTQUADARSA-N 1 1 329.488 3.676 20 30 EHEDMO CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCC2)cc1 ZINC000526135776 1030438259 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EHEDMO C=CCCCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000447968951 1030615858 /nfs/dbraw/zinc/61/58/58/1030615858.db2.gz SYQPLMQBXISANQ-QGZVFWFLSA-N 1 1 329.488 3.826 20 30 EHEDMO C[C@H](C[NH+]1CCN(c2ncccc2C#N)CC1)c1cccc(Cl)c1 ZINC000527106552 1030649055 /nfs/dbraw/zinc/64/90/55/1030649055.db2.gz WPXABMZZGLNJFY-OAHLLOKOSA-N 1 1 340.858 3.532 20 30 EHEDMO N#Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc2ccccc12 ZINC000448056430 1030697087 /nfs/dbraw/zinc/69/70/87/1030697087.db2.gz NCJQATZNBKVZAQ-YWZLYKJASA-N 1 1 332.451 3.560 20 30 EHEDMO CCOc1ccc(CN2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000527482450 1030929394 /nfs/dbraw/zinc/92/93/94/1030929394.db2.gz UIURGEVYCVHMPP-GOSISDBHSA-N 1 1 349.478 3.836 20 30 EHEDMO CCOc1ccc(C[NH+]2CCN([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000527482450 1030929406 /nfs/dbraw/zinc/92/94/06/1030929406.db2.gz UIURGEVYCVHMPP-GOSISDBHSA-N 1 1 349.478 3.836 20 30 EHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483101275 1030958560 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C=CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000595659997 1033940011 /nfs/dbraw/zinc/94/00/11/1033940011.db2.gz PTMRGHVHQVSJRG-HNNXBMFYSA-N 1 1 331.416 3.520 20 30 EHEDMO N#Cc1cccc(C2([NH2+]Cc3cc(O)ccc3Cl)CCOCC2)c1 ZINC000599469035 1033942987 /nfs/dbraw/zinc/94/29/87/1033942987.db2.gz RUURYPDMWVJCFQ-UHFFFAOYSA-N 1 1 342.826 3.713 20 30 EHEDMO Cc1ccccc1C[N@H+]1CCCN(c2ncc(C#N)cc2Cl)CC1 ZINC000608885333 1033944610 /nfs/dbraw/zinc/94/46/10/1033944610.db2.gz VOKSFBFCVDZTJA-UHFFFAOYSA-N 1 1 340.858 3.627 20 30 EHEDMO COC(=O)c1cccc(C[NH2+][C@H](c2ccccc2F)C(C)C)c1C#N ZINC000595690692 1033949206 /nfs/dbraw/zinc/94/92/06/1033949206.db2.gz HSBRQNRQZFMVML-IBGZPJMESA-N 1 1 340.398 3.971 20 30 EHEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000595704850 1033955144 /nfs/dbraw/zinc/95/51/44/1033955144.db2.gz RCBIWPDMBHYBTC-ZWKOTPCHSA-N 1 1 342.487 3.594 20 30 EHEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@H]2CCCC[C@@H]12 ZINC000603846832 1033970210 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N#CC(CC[N@H+]1CC[C@H]2COC[C@@H]2C1)(c1ccccc1)c1ccccc1 ZINC000595828455 1034013797 /nfs/dbraw/zinc/01/37/97/1034013797.db2.gz FDRNKOVQOHKXOI-PMACEKPBSA-N 1 1 346.474 3.855 20 30 EHEDMO CCCN(Cc1ccc(C#N)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000595886376 1034019881 /nfs/dbraw/zinc/01/98/81/1034019881.db2.gz WMVWXLCBVZSVNB-UHFFFAOYSA-N 1 1 325.378 3.541 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCCC2(CC2)CC1 ZINC000599673689 1034081789 /nfs/dbraw/zinc/08/17/89/1034081789.db2.gz VYOCZIJYPNRMOQ-MRXNPFEDSA-N 1 1 343.446 3.727 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nc3ncccc3cc2C#N)C1 ZINC000596126314 1034083841 /nfs/dbraw/zinc/08/38/41/1034083841.db2.gz JVLKLODEOBUBIQ-IAGOWNOFSA-N 1 1 349.482 3.592 20 30 EHEDMO N#CCSCCC[N@@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000599681522 1034110835 /nfs/dbraw/zinc/11/08/35/1034110835.db2.gz FXOUJHQZAMVKAE-UHFFFAOYSA-N 1 1 343.265 3.593 20 30 EHEDMO N#CCSCCC[N@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000599681522 1034110841 /nfs/dbraw/zinc/11/08/41/1034110841.db2.gz 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/nfs/dbraw/zinc/60/14/47/1034601447.db2.gz OODBYSVLGOPLSQ-QGZVFWFLSA-N 1 1 332.488 3.719 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000534477511 1034601455 /nfs/dbraw/zinc/60/14/55/1034601455.db2.gz OODBYSVLGOPLSQ-QGZVFWFLSA-N 1 1 332.488 3.719 20 30 EHEDMO C[C@H](NC(=O)CC1(C#N)CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000597488351 1034784045 /nfs/dbraw/zinc/78/40/45/1034784045.db2.gz SJVAEHUBKBKSKN-DLBZAZTESA-N 1 1 331.504 3.620 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000365271273 1034998481 /nfs/dbraw/zinc/99/84/81/1034998481.db2.gz UNASPYRDEINYJX-IERDGZPVSA-N 1 1 337.442 3.698 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000365271273 1034998485 /nfs/dbraw/zinc/99/84/85/1034998485.db2.gz UNASPYRDEINYJX-IERDGZPVSA-N 1 1 337.442 3.698 20 30 EHEDMO COCC[N@@H+](CCCc1ccccc1)Cc1cc(C#N)ccc1F ZINC000065958889 1035028091 /nfs/dbraw/zinc/02/80/91/1035028091.db2.gz QRLHJAJIDCIPAG-UHFFFAOYSA-N 1 1 326.415 3.779 20 30 EHEDMO COc1cc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)ccc1Cl ZINC000451037815 1035038910 /nfs/dbraw/zinc/03/89/10/1035038910.db2.gz QLBZVCJCYQBFEB-UHFFFAOYSA-N 1 1 344.842 3.869 20 30 EHEDMO C[N@@H+](CCCC(=O)c1ccccc1)CCOCc1ccc(C#N)cc1 ZINC000451040846 1035041443 /nfs/dbraw/zinc/04/14/43/1035041443.db2.gz LKTVMWQZXUFRIR-UHFFFAOYSA-N 1 1 336.435 3.670 20 30 EHEDMO COc1ccc(C)cc1C[NH+]1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000612543770 1035041681 /nfs/dbraw/zinc/04/16/81/1035041681.db2.gz UDMOOWPGVHWJQS-SFHVURJKSA-N 1 1 349.478 3.754 20 30 EHEDMO COc1ccc(C)cc1CN1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000612543770 1035041690 /nfs/dbraw/zinc/04/16/90/1035041690.db2.gz UDMOOWPGVHWJQS-SFHVURJKSA-N 1 1 349.478 3.754 20 30 EHEDMO C=CCC[C@H](C)[NH2+]Cc1noc(-c2cccc(Br)c2)n1 ZINC000448266925 1035061036 /nfs/dbraw/zinc/06/10/36/1035061036.db2.gz JOJBBTFEBLDJIB-NSHDSACASA-N 1 1 336.233 3.943 20 30 EHEDMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000045003338 1035601762 /nfs/dbraw/zinc/60/17/62/1035601762.db2.gz NHVIIHMANDEDJJ-OAHLLOKOSA-N 1 1 339.439 3.768 20 30 EHEDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000045003338 1035601771 /nfs/dbraw/zinc/60/17/71/1035601771.db2.gz NHVIIHMANDEDJJ-OAHLLOKOSA-N 1 1 339.439 3.768 20 30 EHEDMO C=CCc1cc(C[N@@H+](CC)CCc2nccs2)c(O)c(OC)c1 ZINC000164608643 1035698600 /nfs/dbraw/zinc/69/86/00/1035698600.db2.gz IJQLVZSRJZHFRD-UHFFFAOYSA-N 1 1 332.469 3.650 20 30 EHEDMO N#Cc1ccc(N2CCC[N@H+](C3CCCC3)CC2)c(Br)c1 ZINC000534878983 1035736634 /nfs/dbraw/zinc/73/66/34/1035736634.db2.gz NAIKVYOALRNGSO-UHFFFAOYSA-N 1 1 348.288 3.775 20 30 EHEDMO CC(C)(CC#N)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000414159214 1035813694 /nfs/dbraw/zinc/81/36/94/1035813694.db2.gz AZWMYTYGXZKUCW-XUVXKRRUSA-N 1 1 325.500 3.959 20 30 EHEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000442691186 1035874928 /nfs/dbraw/zinc/87/49/28/1035874928.db2.gz LLPVPDKHOCGKHF-CYBMUJFWSA-N 1 1 325.368 3.668 20 30 EHEDMO C[C@@H](NC1(C[NH2+]Cc2cccc(C#N)c2)CCOCC1)c1ccccc1 ZINC000152368532 1035879407 /nfs/dbraw/zinc/87/94/07/1035879407.db2.gz ZEXDUELLMYMTQM-GOSISDBHSA-N 1 1 349.478 3.548 20 30 EHEDMO C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428778300 1036155836 /nfs/dbraw/zinc/15/58/36/1036155836.db2.gz BTWXPJDCDWVOPD-ZFWWWQNUSA-N 1 1 327.815 3.821 20 30 EHEDMO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)Cc2ccc(C)cc2)c1C#N ZINC000535203841 1036158055 /nfs/dbraw/zinc/15/80/55/1036158055.db2.gz ADPKIHJLWVURAG-MRXNPFEDSA-N 1 1 336.435 3.716 20 30 EHEDMO C[C@H](CNCc1ccc(C#N)cc1C(F)(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000589308731 1036355132 /nfs/dbraw/zinc/35/51/32/1036355132.db2.gz IXDFGHHRPCMDLB-ZIAGYGMSSA-N 1 1 339.405 3.787 20 30 EHEDMO C[C@H](CNCc1ccc(C#N)cc1C(F)(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000589308731 1036355150 /nfs/dbraw/zinc/35/51/50/1036355150.db2.gz IXDFGHHRPCMDLB-ZIAGYGMSSA-N 1 1 339.405 3.787 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H]1CCc3cc(F)ccc3C1)C2 ZINC001168438260 1036411965 /nfs/dbraw/zinc/41/19/65/1036411965.db2.gz MEDASIIUBNGLSH-HKBOAZHASA-N 1 1 345.458 3.509 20 30 EHEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1ccccc1OC)c1ccc(F)c(F)c1 ZINC000187794497 1036425054 /nfs/dbraw/zinc/42/50/54/1036425054.db2.gz VXJASWVBWKROPA-IBGZPJMESA-N 1 1 346.377 3.819 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ncc(Br)cc1F ZINC000572761933 1036461367 /nfs/dbraw/zinc/46/13/67/1036461367.db2.gz NAJGNOXZVNVKIH-LLVKDONJSA-N 1 1 348.219 3.900 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000589652516 1036578759 /nfs/dbraw/zinc/57/87/59/1036578759.db2.gz SCRWKWCDVCDHAU-INIZCTEOSA-N 1 1 331.460 3.637 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000589740950 1036601075 /nfs/dbraw/zinc/60/10/75/1036601075.db2.gz LSVZQVYLDNWOJG-IRXDYDNUSA-N 1 1 345.487 3.883 20 30 EHEDMO CC#CCCCC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000464649625 1036624758 /nfs/dbraw/zinc/62/47/58/1036624758.db2.gz WIQKUXZBYJBWDE-KDURUIRLSA-N 1 1 340.511 3.974 20 30 EHEDMO CC[N@@H+](CC(=O)N[C@@H](C)c1cccs1)[C@H](C)c1ccc(C#N)cc1 ZINC000249752812 1036629508 /nfs/dbraw/zinc/62/95/08/1036629508.db2.gz FHTKQXRLMUOYLE-LSDHHAIUSA-N 1 1 341.480 3.880 20 30 EHEDMO C=CCCn1cc(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)nn1 ZINC000653599468 1036788094 /nfs/dbraw/zinc/78/80/94/1036788094.db2.gz PDHZXTUMMIRCMH-LBPRGKRZSA-N 1 1 340.349 3.604 20 30 EHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC(C)(C)C2)c1C#N ZINC000464794524 1036812538 /nfs/dbraw/zinc/81/25/38/1036812538.db2.gz MZZNDWBYDQSIDP-UHFFFAOYSA-N 1 1 342.487 3.762 20 30 EHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC(C)(C)C2)c1C#N ZINC000464794524 1036812560 /nfs/dbraw/zinc/81/25/60/1036812560.db2.gz MZZNDWBYDQSIDP-UHFFFAOYSA-N 1 1 342.487 3.762 20 30 EHEDMO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)o1 ZINC000464839249 1036851122 /nfs/dbraw/zinc/85/11/22/1036851122.db2.gz PKMMFMNUGBKSBY-DOTOQJQBSA-N 1 1 343.471 3.704 20 30 EHEDMO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CC(=O)NC2(C#N)CCCCC2)o1 ZINC000464839249 1036851142 /nfs/dbraw/zinc/85/11/42/1036851142.db2.gz PKMMFMNUGBKSBY-DOTOQJQBSA-N 1 1 343.471 3.704 20 30 EHEDMO CCN(Cc1ccccc1C[N@H+](CC)C[C@@H](C)C#N)C[C@@H](C)C#N ZINC000103469584 1036923968 /nfs/dbraw/zinc/92/39/68/1036923968.db2.gz IYUCPDSYOOEOQH-ROUUACIJSA-N 1 1 326.488 3.650 20 30 EHEDMO CCN(Cc1ccccc1C[N@@H+](CC)C[C@@H](C)C#N)C[C@@H](C)C#N ZINC000103469584 1036923982 /nfs/dbraw/zinc/92/39/82/1036923982.db2.gz IYUCPDSYOOEOQH-ROUUACIJSA-N 1 1 326.488 3.650 20 30 EHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000539566600 1036927328 /nfs/dbraw/zinc/92/73/28/1036927328.db2.gz YTGSBOLRLLNSMZ-FQEVSTJZSA-N 1 1 349.478 3.974 20 30 EHEDMO COc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2C#N)cc1 ZINC000054426315 1037001613 /nfs/dbraw/zinc/00/16/13/1037001613.db2.gz ALBSGTZRPGBJLC-HXUWFJFHSA-N 1 1 349.434 3.733 20 30 EHEDMO C=CC[N@@H+](CCC(=O)N1CCc2ccccc21)Cc1cccs1 ZINC000054427185 1037026910 /nfs/dbraw/zinc/02/69/10/1037026910.db2.gz OYJJXJQGSURVSM-UHFFFAOYSA-N 1 1 326.465 3.716 20 30 EHEDMO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC000590951215 1037140117 /nfs/dbraw/zinc/14/01/17/1037140117.db2.gz GMEAZZRBCZFGMD-UHFFFAOYSA-N 1 1 348.450 3.623 20 30 EHEDMO C=CCc1cc(C[N@@H+]2Cc3ccccc3OC[C@@H]2C)cc(OC)c1O ZINC000542186688 1037146791 /nfs/dbraw/zinc/14/67/91/1037146791.db2.gz MMEGDQKOTKALEK-HNNXBMFYSA-N 1 1 339.435 3.912 20 30 EHEDMO C=CCc1cc(C[N@H+]2Cc3ccccc3OC[C@@H]2C)cc(OC)c1O ZINC000542186688 1037146800 /nfs/dbraw/zinc/14/68/00/1037146800.db2.gz MMEGDQKOTKALEK-HNNXBMFYSA-N 1 1 339.435 3.912 20 30 EHEDMO Cc1cc([NH+]2CCCC2)ccc1N[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000052774306 1037283854 /nfs/dbraw/zinc/28/38/54/1037283854.db2.gz SLYCELVMSARDBK-INIZCTEOSA-N 1 1 348.450 3.906 20 30 EHEDMO Cc1cccc([C@@H]2CC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)c1 ZINC000542319806 1037296366 /nfs/dbraw/zinc/29/63/66/1037296366.db2.gz KSIOEELBMNXYNA-LJQANCHMSA-N 1 1 333.435 3.685 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000491357334 1037417746 /nfs/dbraw/zinc/41/77/46/1037417746.db2.gz YFWGAEVURDYQQS-OAQYLSRUSA-N 1 1 338.451 3.578 20 30 EHEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000491357334 1037417756 /nfs/dbraw/zinc/41/77/56/1037417756.db2.gz YFWGAEVURDYQQS-OAQYLSRUSA-N 1 1 338.451 3.578 20 30 EHEDMO CC[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C[C@@H](C)OC ZINC000462830130 1037433601 /nfs/dbraw/zinc/43/36/01/1037433601.db2.gz UQJWJPLYLRLQNT-QGZVFWFLSA-N 1 1 338.451 3.994 20 30 EHEDMO N#Cc1ccc(F)c(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000541025017 1037457269 /nfs/dbraw/zinc/45/72/69/1037457269.db2.gz WJUJUSDKAATYKZ-MRXNPFEDSA-N 1 1 338.304 3.539 20 30 EHEDMO C[N@H+]1CCC[C@@H](CNc2ccc(C#N)cc2CO)[C@H]1c1cccs1 ZINC000892668015 1037486148 /nfs/dbraw/zinc/48/61/48/1037486148.db2.gz ADYNZGHEESAOAZ-KXBFYZLASA-N 1 1 341.480 3.607 20 30 EHEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000760875432 1037560138 /nfs/dbraw/zinc/56/01/38/1037560138.db2.gz AMVRDENENWYVOX-NRFANRHFSA-N 1 1 349.478 3.685 20 30 EHEDMO CCN(Cc1ccc(OCC#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000760875432 1037560154 /nfs/dbraw/zinc/56/01/54/1037560154.db2.gz AMVRDENENWYVOX-NRFANRHFSA-N 1 1 349.478 3.685 20 30 EHEDMO CCN(Cc1ccc(OCC#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000760875432 1037560162 /nfs/dbraw/zinc/56/01/62/1037560162.db2.gz AMVRDENENWYVOX-NRFANRHFSA-N 1 1 349.478 3.685 20 30 EHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000532578988 1037692872 /nfs/dbraw/zinc/69/28/72/1037692872.db2.gz YDCSXGPHPLVCHW-JTDSTZFVSA-N 1 1 333.435 3.763 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1ccsc1 ZINC000152921321 1037844088 /nfs/dbraw/zinc/84/40/88/1037844088.db2.gz DSTAQETVVOYVCY-CQSZACIVSA-N 1 1 334.510 3.845 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccsc1 ZINC000152921321 1037844109 /nfs/dbraw/zinc/84/41/09/1037844109.db2.gz DSTAQETVVOYVCY-CQSZACIVSA-N 1 1 334.510 3.845 20 30 EHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CCC(C)(C)C ZINC000592145353 1037845579 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20 30 EHEDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000278862851 1042660556 /nfs/dbraw/zinc/66/05/56/1042660556.db2.gz GNCROWXIUUHVTM-RBUKOAKNSA-N 1 1 344.842 3.565 20 30 EHEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](CC3CC3)C2)sc2c1CCC2 ZINC000568418745 1042755971 /nfs/dbraw/zinc/75/59/71/1042755971.db2.gz PKLTZWVQRCFJHC-AWEZNQCLSA-N 1 1 343.496 3.559 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000303915944 1042947832 /nfs/dbraw/zinc/94/78/32/1042947832.db2.gz NSZVUCGQRSVVHJ-IEBWSBKVSA-N 1 1 327.472 3.530 20 30 EHEDMO N#Cc1cccc(C2([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000569632715 1043013052 /nfs/dbraw/zinc/01/30/52/1043013052.db2.gz LMEXCJDBYZIMIX-UHFFFAOYSA-N 1 1 327.771 3.899 20 30 EHEDMO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000609492235 1043740128 /nfs/dbraw/zinc/74/01/28/1043740128.db2.gz IQSXGSZXZUBXJZ-HXUWFJFHSA-N 1 1 349.434 3.560 20 30 EHEDMO C[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000609492235 1043740139 /nfs/dbraw/zinc/74/01/39/1043740139.db2.gz IQSXGSZXZUBXJZ-HXUWFJFHSA-N 1 1 349.434 3.560 20 30 EHEDMO C[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H](C)C1 ZINC000279469771 1044114116 /nfs/dbraw/zinc/11/41/16/1044114116.db2.gz VHMQDNJIQLAGOT-DLBZAZTESA-N 1 1 337.471 3.727 20 30 EHEDMO Cc1cccc2[nH]c(C[NH2+]Cc3cccc(OCCCC#N)c3)nc21 ZINC000153630639 1125640734 /nfs/dbraw/zinc/64/07/34/1125640734.db2.gz TWTQHTPCZPMUKD-UHFFFAOYSA-N 1 1 334.423 3.844 20 30 EHEDMO Cc1cccc2nc(C[NH2+]Cc3cccc(OCCCC#N)c3)[nH]c21 ZINC000153630639 1125640742 /nfs/dbraw/zinc/64/07/42/1125640742.db2.gz TWTQHTPCZPMUKD-UHFFFAOYSA-N 1 1 334.423 3.844 20 30 EHEDMO COCC#CC[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000671255488 1126820453 /nfs/dbraw/zinc/82/04/53/1126820453.db2.gz ZBDWCVRKEYETHJ-UHFFFAOYSA-N 1 1 339.279 3.806 20 30 EHEDMO COCC#CC[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000671255488 1126820455 /nfs/dbraw/zinc/82/04/55/1126820455.db2.gz ZBDWCVRKEYETHJ-UHFFFAOYSA-N 1 1 339.279 3.806 20 30 EHEDMO CC[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1nccs1 ZINC000174116601 1126848161 /nfs/dbraw/zinc/84/81/61/1126848161.db2.gz WSJGPTBVHXQQEX-GOEBONIOSA-N 1 1 342.468 3.519 20 30 EHEDMO C=C(C)COc1cc(CN[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1OC ZINC000175012775 1126864589 /nfs/dbraw/zinc/86/45/89/1126864589.db2.gz VYPINMFSUFNEJC-ROUUACIJSA-N 1 1 332.488 3.613 20 30 EHEDMO C=C[C@H](CC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000179447529 1127064402 /nfs/dbraw/zinc/06/44/02/1127064402.db2.gz HWDGYXPQZHKCAB-RTBURBONSA-N 1 1 328.500 3.831 20 30 EHEDMO CCOc1ccc(O)c(/C=N\[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000764888630 1127546255 /nfs/dbraw/zinc/54/62/55/1127546255.db2.gz NMYWENZXMXAXTD-QWXNNODMSA-N 1 1 338.451 3.730 20 30 EHEDMO c1c(-c2ccccc2)sc2ncnc(N=NC3CC[N@H+]4CCC[C@H]34)c12 ZINC000765556863 1127664290 /nfs/dbraw/zinc/66/42/90/1127664290.db2.gz PRCXFTATDWXIDM-MRXNPFEDSA-N 1 1 349.463 3.994 20 30 EHEDMO N#Cc1csc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000130742598 1127737879 /nfs/dbraw/zinc/73/78/79/1127737879.db2.gz JIODFARSDCCZHF-UHFFFAOYSA-N 1 1 343.408 3.571 20 30 EHEDMO COc1ccc(OC(F)F)c(C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000130764826 1127741625 /nfs/dbraw/zinc/74/16/25/1127741625.db2.gz GBJXKEFBZGUVAE-UHFFFAOYSA-N 1 1 332.350 3.800 20 30 EHEDMO COc1ccc(OC(F)F)c(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000130764826 1127741627 /nfs/dbraw/zinc/74/16/27/1127741627.db2.gz GBJXKEFBZGUVAE-UHFFFAOYSA-N 1 1 332.350 3.800 20 30 EHEDMO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000889190708 1127897952 /nfs/dbraw/zinc/89/79/52/1127897952.db2.gz PMDWKYUCYQZHMM-FUHWJXTLSA-N 1 1 332.513 3.994 20 30 EHEDMO COc1cc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Br)ccn1 ZINC000347543863 1128064318 /nfs/dbraw/zinc/06/43/18/1128064318.db2.gz RQZMGMFIPXPHQB-NSHDSACASA-N 1 1 346.228 3.575 20 30 EHEDMO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000347616274 1128141246 /nfs/dbraw/zinc/14/12/46/1128141246.db2.gz LVUQTYYVEGAFTM-IUODEOHRSA-N 1 1 333.844 3.540 20 30 EHEDMO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cc(C#N)cs1 ZINC000153585835 1128474322 /nfs/dbraw/zinc/47/43/22/1128474322.db2.gz XFSXTWYARVFEQV-HOTGVXAUSA-N 1 1 339.508 3.866 20 30 EHEDMO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cc(C#N)cs1 ZINC000153585835 1128474323 /nfs/dbraw/zinc/47/43/23/1128474323.db2.gz XFSXTWYARVFEQV-HOTGVXAUSA-N 1 1 339.508 3.866 20 30 EHEDMO C[C@@H]1C[NH+](Cc2ccccc2NCc2ccccc2C#N)C[C@@H](C)O1 ZINC000055869977 1128534435 /nfs/dbraw/zinc/53/44/35/1128534435.db2.gz QZOKOCYKHODZCI-IAGOWNOFSA-N 1 1 335.451 3.780 20 30 EHEDMO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)nc1 ZINC000301250717 1128580687 /nfs/dbraw/zinc/58/06/87/1128580687.db2.gz MPHXIGCYQVFQCH-INIZCTEOSA-N 1 1 344.821 3.822 20 30 EHEDMO N#Cc1ccc(N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)nc1 ZINC000301250717 1128580690 /nfs/dbraw/zinc/58/06/90/1128580690.db2.gz MPHXIGCYQVFQCH-INIZCTEOSA-N 1 1 344.821 3.822 20 30 EHEDMO C[C@H]1CCC[N@H+](C(C)(C)CNc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000301285401 1128582160 /nfs/dbraw/zinc/58/21/60/1128582160.db2.gz LPFRBVWTLSQTOP-LBPRGKRZSA-N 1 1 340.393 3.894 20 30 EHEDMO N#Cc1cccnc1N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000301287502 1128582246 /nfs/dbraw/zinc/58/22/46/1128582246.db2.gz VSPOGRAJBYUYNU-INIZCTEOSA-N 1 1 344.821 3.822 20 30 EHEDMO N#Cc1cccnc1N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000301287502 1128582248 /nfs/dbraw/zinc/58/22/48/1128582248.db2.gz VSPOGRAJBYUYNU-INIZCTEOSA-N 1 1 344.821 3.822 20 30 EHEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(F)cc(C#N)cc1F ZINC000301451617 1128592457 /nfs/dbraw/zinc/59/24/57/1128592457.db2.gz QJVCTXHDFJDBKE-INIZCTEOSA-N 1 1 341.405 3.795 20 30 EHEDMO C[N@@H+]1CC[C@H](Nc2cccc(F)c2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000301859419 1128608782 /nfs/dbraw/zinc/60/87/82/1128608782.db2.gz BWXXCYOKYRBJSU-ZWKOTPCHSA-N 1 1 331.341 3.833 20 30 EHEDMO C[N@H+]1CC[C@H](Nc2cccc(F)c2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000301859419 1128608783 /nfs/dbraw/zinc/60/87/83/1128608783.db2.gz BWXXCYOKYRBJSU-ZWKOTPCHSA-N 1 1 331.341 3.833 20 30 EHEDMO C[N@H+]1CC[C@H](CNc2ccc(C#N)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301885213 1128610584 /nfs/dbraw/zinc/61/05/84/1128610584.db2.gz ONTKUDTUKVADBH-FZKQIMNGSA-N 1 1 344.821 3.851 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1snc(Cl)c1C#N ZINC000301914887 1128612028 /nfs/dbraw/zinc/61/20/28/1128612028.db2.gz VDNOMWRTDXCFFJ-CYBMUJFWSA-N 1 1 346.887 3.769 20 30 EHEDMO C[C@@H](Nc1cc(C#N)ccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000302226729 1128627373 /nfs/dbraw/zinc/62/73/73/1128627373.db2.gz WHPDYUDKVUJSJP-HIFRSBDPSA-N 1 1 328.416 3.531 20 30 EHEDMO N#Cc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)o1 ZINC000360075909 1128675896 /nfs/dbraw/zinc/67/58/96/1128675896.db2.gz OEOVBKBEXVRCTL-OAQYLSRUSA-N 1 1 335.451 3.639 20 30 EHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2C(C)C)c(OC)c1 ZINC000303676934 1128687248 /nfs/dbraw/zinc/68/72/48/1128687248.db2.gz LGASYFUOZCYLAZ-MOPGFXCFSA-N 1 1 347.499 3.674 20 30 EHEDMO C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000361825100 1128715827 /nfs/dbraw/zinc/71/58/27/1128715827.db2.gz IZBYYAVCRYUKET-QGZVFWFLSA-N 1 1 337.442 3.794 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000073396916 1128765295 /nfs/dbraw/zinc/76/52/95/1128765295.db2.gz FGJMZVZQEUVODO-UHFFFAOYSA-N 1 1 341.405 3.544 20 30 EHEDMO C[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000076115415 1128904396 /nfs/dbraw/zinc/90/43/96/1128904396.db2.gz JXPAHVNWZXFTKC-CYBMUJFWSA-N 1 1 331.485 3.702 20 30 EHEDMO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H]1CCc2ccccc21 ZINC000595877833 1120362454 /nfs/dbraw/zinc/36/24/54/1120362454.db2.gz KQFNUQGKQVKWNT-IBGZPJMESA-N 1 1 347.462 3.595 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1Cl ZINC000220359092 1120476740 /nfs/dbraw/zinc/47/67/40/1120476740.db2.gz FWOKIFNQKYLWGT-QGZVFWFLSA-N 1 1 331.843 3.768 20 30 EHEDMO C/C(=C\c1ccccc1)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000494287955 1120527128 /nfs/dbraw/zinc/52/71/28/1120527128.db2.gz NPVAKPJLQJZBNU-NWNNTGRJSA-N 1 1 333.435 3.921 20 30 EHEDMO C/C(=C\c1ccccc1)C[N@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000494287955 1120527130 /nfs/dbraw/zinc/52/71/30/1120527130.db2.gz NPVAKPJLQJZBNU-NWNNTGRJSA-N 1 1 333.435 3.921 20 30 EHEDMO COc1ccc(C[N@H+](C)CC#Cc2ccccc2)cc1OC(F)F ZINC000191934191 1120703616 /nfs/dbraw/zinc/70/36/16/1120703616.db2.gz QEYJJBLJYFQBEO-UHFFFAOYSA-N 1 1 331.362 3.780 20 30 EHEDMO COc1ccc(C[N@@H+](C)CC#Cc2ccccc2)cc1OC(F)F ZINC000191934191 1120703622 /nfs/dbraw/zinc/70/36/22/1120703622.db2.gz QEYJJBLJYFQBEO-UHFFFAOYSA-N 1 1 331.362 3.780 20 30 EHEDMO C=CC[N@@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(CC)cc1 ZINC000494649538 1120713454 /nfs/dbraw/zinc/71/34/54/1120713454.db2.gz BJWZNKOPGIXCEK-IBGZPJMESA-N 1 1 328.481 3.634 20 30 EHEDMO C=CC[N@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(CC)cc1 ZINC000494649538 1120713462 /nfs/dbraw/zinc/71/34/62/1120713462.db2.gz BJWZNKOPGIXCEK-IBGZPJMESA-N 1 1 328.481 3.634 20 30 EHEDMO CC(C)CCOC1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000193115719 1120924922 /nfs/dbraw/zinc/92/49/22/1120924922.db2.gz 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C=C(Cl)CNC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000736398283 1131419046 /nfs/dbraw/zinc/41/90/46/1131419046.db2.gz YUNCQJCFKBTEKH-GASCZTMLSA-N 1 1 349.906 3.716 20 30 EHEDMO C#CCOc1ccccc1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000740006439 1131516229 /nfs/dbraw/zinc/51/62/29/1131516229.db2.gz MTDARZADUMETRW-UHFFFAOYSA-N 1 1 330.771 3.550 20 30 EHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000739912444 1131516719 /nfs/dbraw/zinc/51/67/19/1131516719.db2.gz KNYBMPNDPFJBCV-UYAOXDASSA-N 1 1 334.419 3.570 20 30 EHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000739912444 1131516720 /nfs/dbraw/zinc/51/67/20/1131516720.db2.gz KNYBMPNDPFJBCV-UYAOXDASSA-N 1 1 334.419 3.570 20 30 EHEDMO C=CCOc1cccc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)c1 ZINC000179530193 1131555515 /nfs/dbraw/zinc/55/55/15/1131555515.db2.gz COCWROXHOGNVTM-UHFFFAOYSA-N 1 1 336.435 3.768 20 30 EHEDMO N#Cc1ccc(COC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000741349530 1131597895 /nfs/dbraw/zinc/59/78/95/1131597895.db2.gz GGIVMCMZQSHTQP-FQEVSTJZSA-N 1 1 334.419 3.656 20 30 EHEDMO N#Cc1ccc(COC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000741349530 1131597900 /nfs/dbraw/zinc/59/79/00/1131597900.db2.gz GGIVMCMZQSHTQP-FQEVSTJZSA-N 1 1 334.419 3.656 20 30 EHEDMO N#Cc1ccc(COC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000741349531 1131598206 /nfs/dbraw/zinc/59/82/06/1131598206.db2.gz GGIVMCMZQSHTQP-HXUWFJFHSA-N 1 1 334.419 3.656 20 30 EHEDMO N#Cc1ccc(COC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000741349531 1131598208 /nfs/dbraw/zinc/59/82/08/1131598208.db2.gz GGIVMCMZQSHTQP-HXUWFJFHSA-N 1 1 334.419 3.656 20 30 EHEDMO CCCCCCCCOCC(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000741559655 1131618445 /nfs/dbraw/zinc/61/84/45/1131618445.db2.gz XUAVBWNVRNKIPA-UHFFFAOYSA-N 1 1 332.488 3.842 20 30 EHEDMO CCCCCCCCOCC(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000741559655 1131618446 /nfs/dbraw/zinc/61/84/46/1131618446.db2.gz XUAVBWNVRNKIPA-UHFFFAOYSA-N 1 1 332.488 3.842 20 30 EHEDMO CCCOc1cc(C[NH2+]Cc2cc(C#N)ccc2F)ccc1OC ZINC000742381679 1131712738 /nfs/dbraw/zinc/71/27/38/1131712738.db2.gz CJMDADHWVCDUHV-UHFFFAOYSA-N 1 1 328.387 3.785 20 30 EHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC001172496482 1131758540 /nfs/dbraw/zinc/75/85/40/1131758540.db2.gz MUNQHLUYJGUGLJ-VQIMIIECSA-N 1 1 335.492 3.934 20 30 EHEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC001172495729 1131759064 /nfs/dbraw/zinc/75/90/64/1131759064.db2.gz UNIDJFKHGCWMIS-VQIMIIECSA-N 1 1 345.512 3.759 20 30 EHEDMO COC[C@@H]1C[N@H+]([C@@H](C)CCCC#N)Cc2cn(CC3CCCC3)nc21 ZINC001172496908 1131759208 /nfs/dbraw/zinc/75/92/08/1131759208.db2.gz UFHPKIDZDIAYCO-LPHOPBHVSA-N 1 1 344.503 3.701 20 30 EHEDMO Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)CCCC#N ZINC001172499640 1131759841 /nfs/dbraw/zinc/75/98/41/1131759841.db2.gz FOXSCFBOFLXLAE-NAZJXLNTSA-N 1 1 329.492 3.960 20 30 EHEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001172498041 1131760123 /nfs/dbraw/zinc/76/01/23/1131760123.db2.gz IGQQBRVSYLRTPA-MAUKXSAKSA-N 1 1 331.485 3.649 20 30 EHEDMO CCCCCCCC[C@H](CC)[N@H+]1Cc2nnn(C)c2[C@H](COC)C1 ZINC001172504524 1131762617 /nfs/dbraw/zinc/76/26/17/1131762617.db2.gz FULVDRTXGYXALP-IRXDYDNUSA-N 1 1 336.524 3.890 20 30 EHEDMO CCCCCCCC[C@H](CC)[N@@H+]1Cc2nnn(C)c2[C@H](COC)C1 ZINC001172504524 1131762626 /nfs/dbraw/zinc/76/26/26/1131762626.db2.gz FULVDRTXGYXALP-IRXDYDNUSA-N 1 1 336.524 3.890 20 30 EHEDMO CCCCCCC[C@@H](CCC)[N@H+]1CC[C@H]2O[C@@H](C(=O)N(C)C)C[C@H]21 ZINC001172510604 1131763068 /nfs/dbraw/zinc/76/30/68/1131763068.db2.gz GXJWEPAUCARLQD-NCXUSEDFSA-N 1 1 338.536 3.836 20 30 EHEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](C1CC(C)(C)OC(C)(C)C1)C2 ZINC001172657641 1131803371 /nfs/dbraw/zinc/80/33/71/1131803371.db2.gz RNBWXYNIVIOEBA-YLJYHZDGSA-N 1 1 337.504 3.549 20 30 EHEDMO CCOc1cccc(/C=N\[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1O ZINC000743044040 1131842263 /nfs/dbraw/zinc/84/22/63/1131842263.db2.gz DBUZRUHOZJYTAO-JYBCESJWSA-N 1 1 349.434 3.927 20 30 EHEDMO N#Cc1ccc2c(c1)CC[N@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172904447 1131886581 /nfs/dbraw/zinc/88/65/81/1131886581.db2.gz NJLCHRKDUZHVKC-FQEVSTJZSA-N 1 1 347.418 3.772 20 30 EHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000743355916 1131898439 /nfs/dbraw/zinc/89/84/39/1131898439.db2.gz KDIBYQMJEOLYLW-UWJYYQICSA-N 1 1 347.462 3.946 20 30 EHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000743355916 1131898449 /nfs/dbraw/zinc/89/84/49/1131898449.db2.gz KDIBYQMJEOLYLW-UWJYYQICSA-N 1 1 347.462 3.946 20 30 EHEDMO C=C(C)C[N@H+](CC)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173015055 1131935694 /nfs/dbraw/zinc/93/56/94/1131935694.db2.gz FPUGIBXHYDJILO-UHFFFAOYSA-N 1 1 339.386 3.740 20 30 EHEDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)CN1C(=O)OC(C)(C)C ZINC001173069697 1131953876 /nfs/dbraw/zinc/95/38/76/1131953876.db2.gz JTAXGJLWLXNANJ-CRAIPNDOSA-N 1 1 343.471 3.778 20 30 EHEDMO C=CCOC1CCC([N@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)CC1 ZINC001173325273 1132046985 /nfs/dbraw/zinc/04/69/85/1132046985.db2.gz IQLLJXHLGWSOOS-CTWPCTMYSA-N 1 1 330.472 3.747 20 30 EHEDMO C=CCOC1CCC([N@H+]2CCc3sc(C(=O)OCC)cc3C2)CC1 ZINC001173323542 1132047254 /nfs/dbraw/zinc/04/72/54/1132047254.db2.gz AWXKAUSCSZFSIG-UHFFFAOYSA-N 1 1 349.496 3.797 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](C3CCC(CC#N)CC3)C2)C1 ZINC001173331519 1132049469 /nfs/dbraw/zinc/04/94/69/1132049469.db2.gz PGEJZWQJTWBXMA-LBXVMSDZSA-N 1 1 347.503 3.792 20 30 EHEDMO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](C2CCC(CC#N)CC2)CC1 ZINC001173337279 1132053324 /nfs/dbraw/zinc/05/33/24/1132053324.db2.gz FAWPAXXLYUWAFR-AQFXKWCLSA-N 1 1 335.492 3.838 20 30 EHEDMO C[C@H]1CC[C@H]([N@@H+](C)C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173435023 1132073701 /nfs/dbraw/zinc/07/37/01/1132073701.db2.gz JCPSOXZRZNILJZ-RUCARUNLSA-N 1 1 339.483 3.673 20 30 EHEDMO COC(=O)CCCC[C@@H](C)[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001173456306 1132082179 /nfs/dbraw/zinc/08/21/79/1132082179.db2.gz BSGNYJWJHYMNPK-APWZRJJASA-N 1 1 344.455 3.523 20 30 EHEDMO COC(=O)CCCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001173460166 1132083117 /nfs/dbraw/zinc/08/31/17/1132083117.db2.gz RFDXWLYFCZIHHN-VQIMIIECSA-N 1 1 344.455 3.523 20 30 EHEDMO C=C(Br)C[C@@H]([NH3+])c1nc(-c2ccc(Cl)cc2C)no1 ZINC001249256402 1132090562 /nfs/dbraw/zinc/09/05/62/1132090562.db2.gz OPHFQDPQXSZKKU-LLVKDONJSA-N 1 1 342.624 3.997 20 30 EHEDMO CC(C)C[C@H]1CC(=O)N(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)C1 ZINC000744433778 1132097920 /nfs/dbraw/zinc/09/79/20/1132097920.db2.gz MGXFAMZNNAGJED-FQEVSTJZSA-N 1 1 341.499 3.868 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@H+]2C2CCC(C)(C#N)CC2)C1 ZINC001173592712 1132098295 /nfs/dbraw/zinc/09/82/95/1132098295.db2.gz ABIGDSSFBDANLP-GQOXECLESA-N 1 1 347.503 3.934 20 30 EHEDMO CC(C)(C)OC(=O)N[C@@H]1CCCC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173594117 1132098952 /nfs/dbraw/zinc/09/89/52/1132098952.db2.gz RYKFJRVHRUXEEH-MDCZIUGASA-N 1 1 335.492 3.838 20 30 EHEDMO C=CCn1c(-c2cccnc2)nn(C[N@H+]2C[C@H](C)C[C@@H]2CC)c1=S ZINC000744442380 1132100652 /nfs/dbraw/zinc/10/06/52/1132100652.db2.gz YYXBRJMIGIUJIO-ZBFHGGJFSA-N 1 1 343.500 3.740 20 30 EHEDMO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2C[C@H](C)C[C@@H]2CC)c1=S ZINC000744442380 1132100661 /nfs/dbraw/zinc/10/06/61/1132100661.db2.gz YYXBRJMIGIUJIO-ZBFHGGJFSA-N 1 1 343.500 3.740 20 30 EHEDMO CCOC(=O)[C@@H]1CC12CCC([N@@H+](CCC#N)Cc1ccccc1)CC2 ZINC001173605558 1132104220 /nfs/dbraw/zinc/10/42/20/1132104220.db2.gz DCARCRSAXAPISD-SCCNAQOGSA-N 1 1 340.467 3.914 20 30 EHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cn1cnc2cc(C)c(C)cc21 ZINC000746050407 1132354254 /nfs/dbraw/zinc/35/42/54/1132354254.db2.gz GBMDLNYYIYKISZ-UHFFFAOYSA-N 1 1 348.450 3.631 20 30 EHEDMO C[N@H+]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CCC1(C)C ZINC001168799314 1132560949 /nfs/dbraw/zinc/56/09/49/1132560949.db2.gz RUNMXVJJJWCDQZ-UHFFFAOYSA-N 1 1 346.474 3.643 20 30 EHEDMO COc1ccc(C[C@H](C)C[N@@H+](C)CCOc2ccccc2C#N)cc1 ZINC001168848298 1132586502 /nfs/dbraw/zinc/58/65/02/1132586502.db2.gz LCPARBLSJYYCQC-KRWDZBQOSA-N 1 1 338.451 3.756 20 30 EHEDMO CCC[N@@H+](Cn1cc2c(c(C#N)c1=O)CCC2)[C@H]1CCc2ccccc21 ZINC000766619298 1132703019 /nfs/dbraw/zinc/70/30/19/1132703019.db2.gz JASBHVKXKBNMLS-NRFANRHFSA-N 1 1 347.462 3.566 20 30 EHEDMO N#Cc1cc(F)c(Nc2cccc(C[NH+]3CCOCC3)c2)c(Cl)c1 ZINC001175864117 1132786550 /nfs/dbraw/zinc/78/65/50/1132786550.db2.gz HEKKMZQJAQIOSE-UHFFFAOYSA-N 1 1 345.805 3.927 20 30 EHEDMO CC(=O)N1CC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@@H](C)c2ccccc2)C1 ZINC001169560306 1132786629 /nfs/dbraw/zinc/78/66/29/1132786629.db2.gz LNNCHASFTXUYTH-HTAPYJJXSA-N 1 1 347.462 3.742 20 30 EHEDMO C#CC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCc2ccccc21 ZINC000103467242 1132901926 /nfs/dbraw/zinc/90/19/26/1132901926.db2.gz VREWHRRDPMJFRS-NRFANRHFSA-N 1 1 343.430 3.510 20 30 EHEDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000749306923 1132924032 /nfs/dbraw/zinc/92/40/32/1132924032.db2.gz PGYPNJKYDSJDFB-AWEZNQCLSA-N 1 1 336.863 3.537 20 30 EHEDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000749306923 1132924038 /nfs/dbraw/zinc/92/40/38/1132924038.db2.gz PGYPNJKYDSJDFB-AWEZNQCLSA-N 1 1 336.863 3.537 20 30 EHEDMO C#CC[N@@H+](C[C@@H]1COc2ccccc2O1)[C@@H]1CCCc2ccccc21 ZINC001176453567 1132939198 /nfs/dbraw/zinc/93/91/98/1132939198.db2.gz WIKGNRPSQFZVCV-UYAOXDASSA-N 1 1 333.431 3.839 20 30 EHEDMO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[NH+]1CCC(C(F)F)CC1 ZINC000767082346 1132946770 /nfs/dbraw/zinc/94/67/70/1132946770.db2.gz JMQDJTKWQNINNA-LDADJPATSA-N 1 1 348.437 3.844 20 30 EHEDMO C#CCC(C)(C)C(=O)NCc1cccc(C[N@H+](CC)CCCC)c1 ZINC000767092940 1132948744 /nfs/dbraw/zinc/94/87/44/1132948744.db2.gz GNWBXMNLNMZYGJ-UHFFFAOYSA-N 1 1 328.500 3.974 20 30 EHEDMO C=CCCCCC[N@H+](C)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC001176546460 1132957988 /nfs/dbraw/zinc/95/79/88/1132957988.db2.gz UXVKMPCBQQZSCL-UHFFFAOYSA-N 1 1 340.508 3.739 20 30 EHEDMO COCC[C@H]1CCCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000767938332 1133073370 /nfs/dbraw/zinc/07/33/70/1133073370.db2.gz ADZRMGWAPJRQRZ-OAHLLOKOSA-N 1 1 336.863 3.881 20 30 EHEDMO C#CCOc1ccccc1C[N@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000768202821 1133107077 /nfs/dbraw/zinc/10/70/77/1133107077.db2.gz ASAKJOSQFVHUOA-UHFFFAOYSA-N 1 1 339.435 3.656 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cncc2ccccc21 ZINC000768616249 1133162729 /nfs/dbraw/zinc/16/27/29/1133162729.db2.gz BMMQDFJMFQUTPT-UHFFFAOYSA-N 1 1 331.419 3.755 20 30 EHEDMO CCN(C)c1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 ZINC000773772782 1133205321 /nfs/dbraw/zinc/20/53/21/1133205321.db2.gz JYBUFOIVWMOMCR-QFIPXVFZSA-N 1 1 348.494 3.525 20 30 EHEDMO Cc1ccc(C[NH2+]Cc2cccc(O)c2Br)cc1C#N ZINC001179562869 1133258796 /nfs/dbraw/zinc/25/87/96/1133258796.db2.gz WDPQVALETUMXFZ-UHFFFAOYSA-N 1 1 331.213 3.625 20 30 EHEDMO Cc1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cnc1Cl ZINC000769327419 1133262155 /nfs/dbraw/zinc/26/21/55/1133262155.db2.gz YUNFGGLWLANKCX-UHFFFAOYSA-N 1 1 341.842 3.959 20 30 EHEDMO C=CCOc1ccc(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC000769401896 1133276939 /nfs/dbraw/zinc/27/69/39/1133276939.db2.gz RSWCFFNKTDLBQN-OAHLLOKOSA-N 1 1 334.460 3.596 20 30 EHEDMO C[C@@H](CCC#N)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001180612171 1133399014 /nfs/dbraw/zinc/39/90/14/1133399014.db2.gz HWCPTVAAVNWUBB-KRWDZBQOSA-N 1 1 345.487 3.953 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(SCC)c2)c1 ZINC000770628406 1133455185 /nfs/dbraw/zinc/45/51/85/1133455185.db2.gz CYQJPWWOUIHPCA-UHFFFAOYSA-N 1 1 338.476 3.850 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(SCC)c2)c1 ZINC000770628406 1133455190 /nfs/dbraw/zinc/45/51/90/1133455190.db2.gz CYQJPWWOUIHPCA-UHFFFAOYSA-N 1 1 338.476 3.850 20 30 EHEDMO COc1ccc(O)c(/C=N\C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000773907795 1133471010 /nfs/dbraw/zinc/47/10/10/1133471010.db2.gz UWIWHPYQVOKFNR-CWGWECIMSA-N 1 1 338.451 3.730 20 30 EHEDMO C=CC[N@H+](CCOC)C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001181458271 1133489760 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CCc1ccc(C2=CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000772353769 1133674470 /nfs/dbraw/zinc/67/44/70/1133674470.db2.gz DTCCBUIRLVMJQD-JOCHJYFZSA-N 1 1 332.447 3.943 20 30 EHEDMO N#C[C@H]1CCCCN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001182936480 1133753820 /nfs/dbraw/zinc/75/38/20/1133753820.db2.gz AVRLECUENGBHSO-OAQYLSRUSA-N 1 1 347.462 3.593 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1F ZINC000774661359 1133839582 /nfs/dbraw/zinc/83/95/82/1133839582.db2.gz WLWYMHGHNSDHHE-HOTGVXAUSA-N 1 1 330.428 3.847 20 30 EHEDMO N#CCCn1cc(C[N@H+]2CCC3(CCCC3)C2)c(-c2ccncc2)n1 ZINC000789740741 1134331642 /nfs/dbraw/zinc/33/16/42/1134331642.db2.gz HRBLBPXNCIPXLW-UHFFFAOYSA-N 1 1 335.455 3.625 20 30 EHEDMO C=CCc1cc(C[N@H+](CCOC)[C@@H]2CC[C@H](C)C2)c(O)c(OC)c1 ZINC000790478181 1134423523 /nfs/dbraw/zinc/42/35/23/1134423523.db2.gz JZGSKHVRHKIQFS-MAUKXSAKSA-N 1 1 333.472 3.766 20 30 EHEDMO C#C[C@@H](CCC)[NH2+][C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000790546595 1134433226 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N#Cc1ccc(C[N@H+](C[C@@H](O)c2ccc(F)cc2)C2CC2)cc1F ZINC000792237015 1134669517 /nfs/dbraw/zinc/66/95/17/1134669517.db2.gz QMWUKDFQVVJLCI-LJQANCHMSA-N 1 1 328.362 3.534 20 30 EHEDMO C=CC[N@H+](CCOC)Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000792407169 1134684582 /nfs/dbraw/zinc/68/45/82/1134684582.db2.gz QQNBHFARTMPZFZ-UHFFFAOYSA-N 1 1 335.391 3.942 20 30 EHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2oc(=O)n(C)c2c1 ZINC001190616878 1134720675 /nfs/dbraw/zinc/72/06/75/1134720675.db2.gz UFQVCNDHINFRDV-UHFFFAOYSA-N 1 1 349.434 3.661 20 30 EHEDMO CCC[N@@H+](CC(=O)OCC)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170394808 1134763327 /nfs/dbraw/zinc/76/33/27/1134763327.db2.gz AZZHAZZOJGWRIG-UHFFFAOYSA-N 1 1 328.456 3.666 20 30 EHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@@H](Oc3ccncc3)C2)CC1 ZINC001170396051 1134764585 /nfs/dbraw/zinc/76/45/85/1134764585.db2.gz UDDMGAYAMSDTTH-NJEKYYFSSA-N 1 1 347.462 3.939 20 30 EHEDMO CC(C)(C#N)c1cccc(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC001190956824 1134776213 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C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@](C)(O)c1ccc(F)cc1 ZINC001194268727 1135253695 /nfs/dbraw/zinc/25/36/95/1135253695.db2.gz IZQHLZOUEQUICG-FQEVSTJZSA-N 1 1 345.462 3.889 20 30 EHEDMO N#Cc1ccc(CC[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001194269431 1135254035 /nfs/dbraw/zinc/25/40/35/1135254035.db2.gz PLPSLZPHLFCAAK-HSZRJFAPSA-N 1 1 345.490 3.699 20 30 EHEDMO N#Cc1ccc(CC[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC001194269431 1135254040 /nfs/dbraw/zinc/25/40/40/1135254040.db2.gz PLPSLZPHLFCAAK-HSZRJFAPSA-N 1 1 345.490 3.699 20 30 EHEDMO N#Cc1ccc(CCN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001194269431 1135254047 /nfs/dbraw/zinc/25/40/47/1135254047.db2.gz PLPSLZPHLFCAAK-HSZRJFAPSA-N 1 1 345.490 3.699 20 30 EHEDMO N#Cc1ccc(CCN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001194269431 1135254053 /nfs/dbraw/zinc/25/40/53/1135254053.db2.gz PLPSLZPHLFCAAK-HSZRJFAPSA-N 1 1 345.490 3.699 20 30 EHEDMO CC[C@@H](CC#N)OC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000805927206 1135356789 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C#CC[N@H+](Cc1ccc(COCCOC)cc1)[C@@H]1CCc2ccccc21 ZINC000809539238 1135849155 /nfs/dbraw/zinc/84/91/55/1135849155.db2.gz NSIZTIVYIQZXEG-HSZRJFAPSA-N 1 1 349.474 3.972 20 30 EHEDMO C=C(Br)CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000809559193 1135850293 /nfs/dbraw/zinc/85/02/93/1135850293.db2.gz JMRHELCKUABSPA-CQSZACIVSA-N 1 1 343.334 3.719 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C/C=C\c2ccc(F)c(F)c2)c1 ZINC000809550555 1135855297 /nfs/dbraw/zinc/85/52/97/1135855297.db2.gz TZHXPTPPXXGCNW-ALCCZGGFSA-N 1 1 340.373 3.530 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)C/C=C\c2ccc(F)c(F)c2)c1 ZINC000809550555 1135855301 /nfs/dbraw/zinc/85/53/01/1135855301.db2.gz TZHXPTPPXXGCNW-ALCCZGGFSA-N 1 1 340.373 3.530 20 30 EHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000775892122 1135857574 /nfs/dbraw/zinc/85/75/74/1135857574.db2.gz RCYRXTIOHSXRTH-OAQYLSRUSA-N 1 1 334.419 3.610 20 30 EHEDMO C#CCOc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1 ZINC000809698628 1135868413 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/nfs/dbraw/zinc/09/41/41/1136094141.db2.gz XJUYUWRAIPWACO-IBGZPJMESA-N 1 1 325.481 3.620 20 30 EHEDMO c1ccc(C[N@@H+]2C[C@@H]3CCCC(=NNC[C@H]4CCSC4)[C@@H]3C2)cc1 ZINC000811660930 1136118552 /nfs/dbraw/zinc/11/85/52/1136118552.db2.gz BNNIEJCWOUYXMA-CEXWTWQISA-N 1 1 343.540 3.617 20 30 EHEDMO CC(C)C[N@H+](Cc1cn(-c2ccccc2)nn1)Cc1ccc(C#N)cc1 ZINC000338916430 1136162645 /nfs/dbraw/zinc/16/26/45/1136162645.db2.gz KMERBSHQXHPSBH-UHFFFAOYSA-N 1 1 345.450 3.797 20 30 EHEDMO CC(C)C[N@@H+](Cc1cn(-c2ccccc2)nn1)Cc1ccc(C#N)cc1 ZINC000338916430 1136162648 /nfs/dbraw/zinc/16/26/48/1136162648.db2.gz KMERBSHQXHPSBH-UHFFFAOYSA-N 1 1 345.450 3.797 20 30 EHEDMO CCCC(N)=[NH+]OCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000105605886 1136181581 /nfs/dbraw/zinc/18/15/81/1136181581.db2.gz VGCDMJIBBWAIMH-UHFFFAOYSA-N 1 1 329.187 3.632 20 30 EHEDMO C=CCN1CC[C@@H]([N@@H+]2CCCCC[C@@H]2Cc2ccccc2Cl)C1=O ZINC001170668178 1136186227 /nfs/dbraw/zinc/18/62/27/1136186227.db2.gz BITXQJFYONLFAE-IEBWSBKVSA-N 1 1 346.902 3.914 20 30 EHEDMO C#C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC000812352266 1136197229 /nfs/dbraw/zinc/19/72/29/1136197229.db2.gz IUNLCUBXXUJMRQ-QZTJIDSGSA-N 1 1 330.859 3.538 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000747832164 1136279811 /nfs/dbraw/zinc/27/98/11/1136279811.db2.gz SSNCEJTVKHWSJN-ZWKOTPCHSA-N 1 1 345.483 3.768 20 30 EHEDMO C#CCCCCCC[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001170703639 1136316816 /nfs/dbraw/zinc/31/68/16/1136316816.db2.gz ROZKTIPQMQDNTA-QZTJIDSGSA-N 1 1 334.504 3.901 20 30 EHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000851737638 1136403027 /nfs/dbraw/zinc/40/30/27/1136403027.db2.gz KAFQLIVJPTYVQJ-GOSISDBHSA-N 1 1 344.474 3.546 20 30 EHEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000852156045 1136437022 /nfs/dbraw/zinc/43/70/22/1136437022.db2.gz IDAQLQIUWXRJFL-KRWDZBQOSA-N 1 1 343.471 3.762 20 30 EHEDMO C=CCCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852475504 1136458700 /nfs/dbraw/zinc/45/87/00/1136458700.db2.gz DSERXDVFZSTZBK-JKSUJKDBSA-N 1 1 346.437 3.998 20 30 EHEDMO C[NH+](C)C1(CNCc2cccc(OCCCC#N)c2)CCCCC1 ZINC000338952272 1136479935 /nfs/dbraw/zinc/47/99/35/1136479935.db2.gz FKYFIXWWQBTLIN-UHFFFAOYSA-N 1 1 329.488 3.723 20 30 EHEDMO C#CCCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814671517 1136492149 /nfs/dbraw/zinc/49/21/49/1136492149.db2.gz CKJBVPRNWFERLG-ROUUACIJSA-N 1 1 334.504 3.759 20 30 EHEDMO CC1(C)C[C@H]([N@@H+](CCOCCC#N)Cc2ccccc2)C(C)(C)O1 ZINC000815084568 1136548980 /nfs/dbraw/zinc/54/89/80/1136548980.db2.gz OXAQHCXCGXSBBO-SFHVURJKSA-N 1 1 330.472 3.765 20 30 EHEDMO Cc1nc(C(C)C)ccc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000338956917 1136557442 /nfs/dbraw/zinc/55/74/42/1136557442.db2.gz LSSYOOZBFJERLK-UHFFFAOYSA-N 1 1 334.467 3.707 20 30 EHEDMO C=CCCCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001135006272 1136590070 /nfs/dbraw/zinc/59/00/70/1136590070.db2.gz RCIZXACETSWJEH-HSALFYBXSA-N 1 1 326.484 3.760 20 30 EHEDMO COc1cccc(NC(=O)CC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000173260824 1136625866 /nfs/dbraw/zinc/62/58/66/1136625866.db2.gz MTVOUPBOFIQJDY-UHFFFAOYSA-N 1 1 349.434 3.560 20 30 EHEDMO COc1ccc(C[N@H+](Cc2ccc(C#N)o2)CC2CCC2)c(OC)c1 ZINC000338965171 1136654330 /nfs/dbraw/zinc/65/43/30/1136654330.db2.gz NEZRIGUIHYRIFR-UHFFFAOYSA-N 1 1 340.423 3.971 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000776797583 1136672830 /nfs/dbraw/zinc/67/28/30/1136672830.db2.gz IOMYCEUTESAPKJ-MAUKXSAKSA-N 1 1 343.471 3.602 20 30 EHEDMO CC(C)CCN(CCC#N)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857147926 1136847991 /nfs/dbraw/zinc/84/79/91/1136847991.db2.gz CNRHPYSTMZUBQX-HXUWFJFHSA-N 1 1 341.499 3.898 20 30 EHEDMO C[C@H]1C(N=Nc2ncc(Cl)cn2)CCC[N@H+]1Cc1ccccc1 ZINC000857221421 1136854509 /nfs/dbraw/zinc/85/45/09/1136854509.db2.gz ZKYDESCROUBCLC-ZDUSSCGKSA-N 1 1 329.835 3.582 20 30 EHEDMO CNc1ccc(C#N)cc1NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857254297 1136857450 /nfs/dbraw/zinc/85/74/50/1136857450.db2.gz YWZZZBQWWQNLHG-SFHVURJKSA-N 1 1 348.450 3.661 20 30 EHEDMO C#CC[N@@H+](C)CCCNC(=O)c1oc2c(ccc3ccccc23)c1C ZINC000818615271 1136886115 /nfs/dbraw/zinc/88/61/15/1136886115.db2.gz GEZSWMLIFAAQNK-UHFFFAOYSA-N 1 1 334.419 3.579 20 30 EHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858011047 1136929103 /nfs/dbraw/zinc/92/91/03/1136929103.db2.gz PPYRQFCGRZULGO-HXUWFJFHSA-N 1 1 333.435 3.874 20 30 EHEDMO C#CCOc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858017181 1136932509 /nfs/dbraw/zinc/93/25/09/1136932509.db2.gz VLZLUEPZZHUGOE-NRFANRHFSA-N 1 1 348.446 3.624 20 30 EHEDMO Cc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1C#N ZINC000859240186 1137009212 /nfs/dbraw/zinc/00/92/12/1137009212.db2.gz VIMGWBOCEPFTSE-DOTOQJQBSA-N 1 1 343.471 3.602 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C[C@H](C)C1(F)F ZINC000859412879 1137014042 /nfs/dbraw/zinc/01/40/42/1137014042.db2.gz ZOVDDOYDSNZSBX-TXEJJXNPSA-N 1 1 328.790 3.965 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)C[C@H](C)C1(F)F ZINC000859412879 1137014044 /nfs/dbraw/zinc/01/40/44/1137014044.db2.gz ZOVDDOYDSNZSBX-TXEJJXNPSA-N 1 1 328.790 3.965 20 30 EHEDMO CC(C)CCOc1ccc(C(=O)/C=C\c2c[nH+]c(N(C)C)n2C)cc1 ZINC000821031914 1137014570 /nfs/dbraw/zinc/01/45/70/1137014570.db2.gz OGZZLAXESUGTLV-FLIBITNWSA-N 1 1 341.455 3.807 20 30 EHEDMO COC(=O)c1ccc(C(=[NH2+])Nc2cc(C(C)C)c(F)cc2OC)cc1 ZINC001170984623 1137055312 /nfs/dbraw/zinc/05/53/12/1137055312.db2.gz VPCLAGPKTTWVPV-UHFFFAOYSA-N 1 1 344.386 3.781 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccnc(Cl)c2F)c1 ZINC000823887658 1137118664 /nfs/dbraw/zinc/11/86/64/1137118664.db2.gz MVONSUWYYXNEFN-CQSZACIVSA-N 1 1 333.794 3.845 20 30 EHEDMO N#CCCCOc1cccc(C[NH2+]Cc2cc(F)cnc2Cl)c1 ZINC000824538466 1137143307 /nfs/dbraw/zinc/14/33/07/1137143307.db2.gz QBQZCWRPHALVPR-UHFFFAOYSA-N 1 1 333.794 3.846 20 30 EHEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(C(F)(F)F)c(C)c1 ZINC001171070003 1137155169 /nfs/dbraw/zinc/15/51/69/1137155169.db2.gz VJSPMTAQALDCQV-HNNXBMFYSA-N 1 1 344.377 3.653 20 30 EHEDMO N#Cc1ccc(NC(=S)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1Cl ZINC000863229882 1137175860 /nfs/dbraw/zinc/17/58/60/1137175860.db2.gz AABFQZRIITZJSD-HNNXBMFYSA-N 1 1 348.903 3.515 20 30 EHEDMO C[C@@H](OC(=O)CCCCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000805913591 1137195339 /nfs/dbraw/zinc/19/53/39/1137195339.db2.gz JZGWNFQPCNVBSS-MJGOQNOKSA-N 1 1 328.456 3.914 20 30 EHEDMO C=CCn1ccc2c1nc[nH+]c2N[C@H](C)c1cccc(C(=O)OC)c1 ZINC001171104189 1137198390 /nfs/dbraw/zinc/19/83/90/1137198390.db2.gz WXCMJPQWRMIGPC-CYBMUJFWSA-N 1 1 336.395 3.577 20 30 EHEDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370244 1137212802 /nfs/dbraw/zinc/21/28/02/1137212802.db2.gz GKPZOLWYBLBRNF-AUUYWEPGSA-N 1 1 339.395 3.501 20 30 EHEDMO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369347 1137213208 /nfs/dbraw/zinc/21/32/08/1137213208.db2.gz LGDNGZAUBFSNGM-SCLBCKFNSA-N 1 1 346.377 3.886 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H](CC[N@@H+]2Cc3cccc(C#N)c3C2)C1 ZINC000844472732 1137227426 /nfs/dbraw/zinc/22/74/26/1137227426.db2.gz RSRXIDBQMOWJJQ-HNNXBMFYSA-N 1 1 341.455 3.521 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H](CC[N@H+]2Cc3cccc(C#N)c3C2)C1 ZINC000844472732 1137227427 /nfs/dbraw/zinc/22/74/27/1137227427.db2.gz RSRXIDBQMOWJJQ-HNNXBMFYSA-N 1 1 341.455 3.521 20 30 EHEDMO N#Cc1cncc(C[N@@H+]2C[C@H]3c4ccccc4[C@H](OCC4CC4)[C@H]3C2)c1 ZINC001144080037 1137237323 /nfs/dbraw/zinc/23/73/23/1137237323.db2.gz SYIRCHGBEXRSPQ-FKBYEOEOSA-N 1 1 345.446 3.650 20 30 EHEDMO C[C@H](c1cccc(Br)c1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC001144169732 1137248801 /nfs/dbraw/zinc/24/88/01/1137248801.db2.gz TYSBZKLXJAGRPI-GFCCVEGCSA-N 1 1 330.229 3.909 20 30 EHEDMO CCOc1cccc(/C=N\C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000794835407 1137275876 /nfs/dbraw/zinc/27/58/76/1137275876.db2.gz WZVGMAXHZMHIHK-QWQBBLJPSA-N 1 1 338.451 3.732 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2sccc2CC#N)C1 ZINC000865861086 1137317328 /nfs/dbraw/zinc/31/73/28/1137317328.db2.gz MWODDAYKLLTRLB-CVEARBPZSA-N 1 1 345.512 3.541 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc3scnc3c1)C2 ZINC001144737627 1137341009 /nfs/dbraw/zinc/34/10/09/1137341009.db2.gz XPLXCFWKBVULKT-LPHOPBHVSA-N 1 1 344.480 3.622 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001171220556 1137343880 /nfs/dbraw/zinc/34/38/80/1137343880.db2.gz CDZVFDCGVSZMAZ-KRWDZBQOSA-N 1 1 335.451 3.565 20 30 EHEDMO COC(=O)CC[N@@H+](Cc1ccccc1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171221262 1137346895 /nfs/dbraw/zinc/34/68/95/1137346895.db2.gz JSJOBBDWXBTZLI-QGZVFWFLSA-N 1 1 336.435 3.555 20 30 EHEDMO C[C@@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1cccc(C#N)c1O ZINC000866338653 1137347309 /nfs/dbraw/zinc/34/73/09/1137347309.db2.gz VRCAXDIKLBDPLO-LLVKDONJSA-N 1 1 328.799 3.703 20 30 EHEDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866341841 1137347454 /nfs/dbraw/zinc/34/74/54/1137347454.db2.gz SBOQGXIOXSXGIB-QWHCGFSZSA-N 1 1 326.444 3.936 20 30 EHEDMO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)c(OC)c1 ZINC000866399984 1137352015 /nfs/dbraw/zinc/35/20/15/1137352015.db2.gz UNFJQOMOHMTGMW-QWHCGFSZSA-N 1 1 326.396 3.693 20 30 EHEDMO Cc1ccnc(O[C@@H]2CCC[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)c1 ZINC001171232213 1137355728 /nfs/dbraw/zinc/35/57/28/1137355728.db2.gz QLHNPXOMPCZWGT-FXAWDEMLSA-N 1 1 335.451 3.736 20 30 EHEDMO CCOc1cccc(Cl)c1C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000847007261 1137382473 /nfs/dbraw/zinc/38/24/73/1137382473.db2.gz DBBWYYBKXSGSCZ-SFHVURJKSA-N 1 1 344.842 3.776 20 30 EHEDMO CCOc1cccc(Cl)c1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000847007261 1137382475 /nfs/dbraw/zinc/38/24/75/1137382475.db2.gz DBBWYYBKXSGSCZ-SFHVURJKSA-N 1 1 344.842 3.776 20 30 EHEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000847027115 1137383407 /nfs/dbraw/zinc/38/34/07/1137383407.db2.gz SKGYRJUNYWUXTA-LLVKDONJSA-N 1 1 344.764 3.643 20 30 EHEDMO 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C=CCc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccco1)C(C)C ZINC000349027155 1141624718 /nfs/dbraw/zinc/62/47/18/1141624718.db2.gz MAEFTWDOIFGMAX-SFHVURJKSA-N 1 1 329.440 3.658 20 30 EHEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccc(C#N)c(C)c1 ZINC000349036210 1141625279 /nfs/dbraw/zinc/62/52/79/1141625279.db2.gz NUCSMECOUBRSED-JOCHJYFZSA-N 1 1 348.494 3.748 20 30 EHEDMO Cc1ccc2nc(N3C[C@H](C)[N@H+](C)C[C@H]3C)c(C#N)c(Cl)c2c1 ZINC001164632053 719258135 /nfs/dbraw/zinc/25/81/35/719258135.db2.gz IALPZBVEMCKPFM-QWHCGFSZSA-N 1 1 328.847 3.597 20 30 EHEDMO C#C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC001573280832 946668494 /nfs/dbraw/zinc/66/84/94/946668494.db2.gz SPWFCBPIYMEBDR-GOSISDBHSA-N 1 1 343.434 3.521 20 30 EHEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H](C)c1ccc(F)cc1 ZINC001573340876 947520954 /nfs/dbraw/zinc/52/09/54/947520954.db2.gz BXWBVFYNAAAKTG-CQSZACIVSA-N 1 1 337.402 3.755 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cc(Cl)c3c(c2)OCCO3)no1 ZINC000904525342 1032085422 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30 EHEDMO C=C(C)CN(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000180629957 1016018652 /nfs/dbraw/zinc/01/86/52/1016018652.db2.gz NYTYJMKJKNOJOD-QGZVFWFLSA-N 1 1 329.488 3.779 20 30 EHEDMO C#CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccs1 ZINC001209269907 1016050091 /nfs/dbraw/zinc/05/00/91/1016050091.db2.gz RAQWTZMGNZJJQV-HNNXBMFYSA-N 1 1 334.485 3.755 20 30 EHEDMO C#CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccs1 ZINC001209269907 1016050097 /nfs/dbraw/zinc/05/00/97/1016050097.db2.gz RAQWTZMGNZJJQV-HNNXBMFYSA-N 1 1 334.485 3.755 20 30 EHEDMO C=CCC(C)(C)C(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000340178112 1016598586 /nfs/dbraw/zinc/59/85/86/1016598586.db2.gz HOACVUQVBWEMCK-UHFFFAOYSA-N 1 1 349.544 3.636 20 30 EHEDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1F ZINC000189738784 1016697415 /nfs/dbraw/zinc/69/74/15/1016697415.db2.gz VMDJISKHCSAYCO-HXUWFJFHSA-N 1 1 326.415 3.861 20 30 EHEDMO N#Cc1ccc(F)cc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160282059 1016919460 /nfs/dbraw/zinc/91/94/60/1016919460.db2.gz LAGSYBRLYABWON-LJQANCHMSA-N 1 1 340.398 3.584 20 30 EHEDMO N#Cc1ccc(F)cc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160282059 1016919472 /nfs/dbraw/zinc/91/94/72/1016919472.db2.gz LAGSYBRLYABWON-LJQANCHMSA-N 1 1 340.398 3.584 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000183210622 1032182562 /nfs/dbraw/zinc/18/25/62/1032182562.db2.gz DIGSRDTXCHLOMW-YWZLYKJASA-N 1 1 340.398 3.770 20 30 EHEDMO CC1(C#N)CCC([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000449121329 1032211862 /nfs/dbraw/zinc/21/18/62/1032211862.db2.gz HIBYFRJGIYRXHF-MWXLCCTBSA-N 1 1 325.500 3.613 20 30 EHEDMO CC1(C#N)CCC([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000449121329 1032211881 /nfs/dbraw/zinc/21/18/81/1032211881.db2.gz HIBYFRJGIYRXHF-MWXLCCTBSA-N 1 1 325.500 3.613 20 30 EHEDMO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000598590599 1033317693 /nfs/dbraw/zinc/31/76/93/1033317693.db2.gz RFEPYPDPRCVNTQ-LBPRGKRZSA-N 1 1 327.255 3.652 20 30 EHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000598590599 1033317704 /nfs/dbraw/zinc/31/77/04/1033317704.db2.gz RFEPYPDPRCVNTQ-LBPRGKRZSA-N 1 1 327.255 3.652 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459576795 1032301206 /nfs/dbraw/zinc/30/12/06/1032301206.db2.gz VFFJNRUJZWPLIU-PMACEKPBSA-N 1 1 339.483 3.658 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459576795 1032301219 /nfs/dbraw/zinc/30/12/19/1032301219.db2.gz VFFJNRUJZWPLIU-PMACEKPBSA-N 1 1 339.483 3.658 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459636685 1032355000 /nfs/dbraw/zinc/35/50/00/1032355000.db2.gz ACZSRVISMYKJIF-CQSZACIVSA-N 1 1 332.410 3.997 20 30 EHEDMO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCc2cccc(C#N)c2)CC1 ZINC000449305657 1032425623 /nfs/dbraw/zinc/42/56/23/1032425623.db2.gz TVIIYCFAOOHRRA-IBGZPJMESA-N 1 1 347.506 3.786 20 30 EHEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459736747 1032436870 /nfs/dbraw/zinc/43/68/70/1032436870.db2.gz HIXNUABZWQDKND-PKOBYXMFSA-N 1 1 339.483 3.754 20 30 EHEDMO CC[N@@H+](CCC1CCN(C(=O)C2(C#N)CC(C)C2)CC1)CC(C)C ZINC000536919940 1032440529 /nfs/dbraw/zinc/44/05/29/1032440529.db2.gz GROQILILQPKHQW-UHFFFAOYSA-N 1 1 333.520 3.533 20 30 EHEDMO CCOC(=O)CC[N@@H+](CCCCC(C)(C)C#N)Cc1cccnc1 ZINC000278762986 1032452578 /nfs/dbraw/zinc/45/25/78/1032452578.db2.gz MSPUNBQJTGWHRE-UHFFFAOYSA-N 1 1 331.460 3.557 20 30 EHEDMO C[C@H]1C[C@@H](NCc2ccc(-c3ccccc3C#N)cc2)C[N@@H+]1C1CC1 ZINC000537012221 1032482379 /nfs/dbraw/zinc/48/23/79/1032482379.db2.gz JEONRGKLCZLJJT-OXJNMPFZSA-N 1 1 331.463 3.940 20 30 EHEDMO C[C@H]1C[C@@H](NCc2ccc(-c3ccccc3C#N)cc2)C[N@H+]1C1CC1 ZINC000537012221 1032482384 /nfs/dbraw/zinc/48/23/84/1032482384.db2.gz JEONRGKLCZLJJT-OXJNMPFZSA-N 1 1 331.463 3.940 20 30 EHEDMO C[N@@H+](CCc1cccc(NC(=O)c2cc(C#N)cs2)c1)C1CC1 ZINC000537126680 1032528892 /nfs/dbraw/zinc/52/88/92/1032528892.db2.gz DEKRNSXVHKRTLP-UHFFFAOYSA-N 1 1 325.437 3.509 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc(OC)c1O ZINC000449458841 1032575965 /nfs/dbraw/zinc/57/59/65/1032575965.db2.gz WWRUTDNTVQULFJ-IPMKNSEASA-N 1 1 345.483 3.645 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2ccccc2Cl)CC1 ZINC000058580302 1032593187 /nfs/dbraw/zinc/59/31/87/1032593187.db2.gz IHVKEIYVBAFMAT-UHFFFAOYSA-N 1 1 325.843 3.924 20 30 EHEDMO Cn1cc(C[N@H+]2CC[C@H](c3cccc(Br)c3)C2)cc1C#N ZINC000449500471 1032675267 /nfs/dbraw/zinc/67/52/67/1032675267.db2.gz NQNHJEVSAUTMEM-HNNXBMFYSA-N 1 1 344.256 3.649 20 30 EHEDMO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1 ZINC000187281833 1017169335 /nfs/dbraw/zinc/16/93/35/1017169335.db2.gz GUOVNSYPXSCRGR-FZKQIMNGSA-N 1 1 342.826 3.852 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000375610993 1017418205 /nfs/dbraw/zinc/41/82/05/1017418205.db2.gz HXSRHAPINBHPPP-UXHICEINSA-N 1 1 337.467 3.859 20 30 EHEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549187200 1017558799 /nfs/dbraw/zinc/55/87/99/1017558799.db2.gz IIGFSNAYCNVBCG-HOTGVXAUSA-N 1 1 331.353 3.903 20 30 EHEDMO Cc1cc(N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)cc(C#N)n1 ZINC000565556531 1017578404 /nfs/dbraw/zinc/57/84/04/1017578404.db2.gz OIKMPGRVODCRLF-HNNXBMFYSA-N 1 1 340.858 3.798 20 30 EHEDMO CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000528743310 1032720122 /nfs/dbraw/zinc/72/01/22/1032720122.db2.gz DUPHFSUCGINRFA-VQTJNVASSA-N 1 1 338.426 3.999 20 30 EHEDMO CC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)[C@@H](C)Cc1ccsc1 ZINC000547973993 1017846434 /nfs/dbraw/zinc/84/64/34/1017846434.db2.gz YKXKDSREPZHHBM-AWEZNQCLSA-N 1 1 342.464 3.859 20 30 EHEDMO N#Cc1cc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)ccc1F ZINC000528760862 1032733174 /nfs/dbraw/zinc/73/31/74/1032733174.db2.gz CJDQHBSFGGTSPP-UHFFFAOYSA-N 1 1 334.398 3.501 20 30 EHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccsc2C(=O)OC)c1 ZINC000892973009 1018022206 /nfs/dbraw/zinc/02/22/06/1018022206.db2.gz MHUVLZFJSLQKCP-HNNXBMFYSA-N 1 1 344.436 3.505 20 30 EHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000275702114 1018203136 /nfs/dbraw/zinc/20/31/36/1018203136.db2.gz QRFHWGOSCWEHQW-MPGHIAIKSA-N 1 1 343.471 3.854 20 30 EHEDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000580196647 1018773221 /nfs/dbraw/zinc/77/32/21/1018773221.db2.gz XLNAYCCDFDKBPH-BEFAXECRSA-N 1 1 331.423 3.574 20 30 EHEDMO C[C@@H](c1cccc(NCC#Cc2ccc(F)cc2)c1)[NH+]1CCOCC1 ZINC000433490186 1019016353 /nfs/dbraw/zinc/01/63/53/1019016353.db2.gz VHBOQVWKIUOEBZ-KRWDZBQOSA-N 1 1 338.426 3.683 20 30 EHEDMO C#CCOc1ccc([C@@H](C)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000160473378 1019198489 /nfs/dbraw/zinc/19/84/89/1019198489.db2.gz WEAAIFIDWAPSSG-QGZVFWFLSA-N 1 1 326.484 3.756 20 30 EHEDMO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000513420312 1019633017 /nfs/dbraw/zinc/63/30/17/1019633017.db2.gz NLYGYXYBQSYBHY-IBGZPJMESA-N 1 1 336.435 3.919 20 30 EHEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2scc(C)c2C#N)c1 ZINC000580583740 1019696615 /nfs/dbraw/zinc/69/66/15/1019696615.db2.gz ZZINQNNKWXCPKY-UHFFFAOYSA-N 1 1 342.468 3.702 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cnccc2C#N)cc1 ZINC000345188648 1020042087 /nfs/dbraw/zinc/04/20/87/1020042087.db2.gz FXDRDKPAWUYRHT-OAHLLOKOSA-N 1 1 334.423 3.580 20 30 EHEDMO C=C(C)COc1cc(C[NH2+]Cc2cnc(CCC)o2)ccc1OC ZINC000449610320 1032878923 /nfs/dbraw/zinc/87/89/23/1032878923.db2.gz GGLWCSADCHKCFN-UHFFFAOYSA-N 1 1 330.428 3.880 20 30 EHEDMO CCC[N@@H+](C[C@H](C)CCC#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000602451777 1032881294 /nfs/dbraw/zinc/88/12/94/1032881294.db2.gz ACWXJIKZNAVERZ-GOSISDBHSA-N 1 1 341.499 3.943 20 30 EHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000594053328 1032885087 /nfs/dbraw/zinc/88/50/87/1032885087.db2.gz OCWPHZRXPROCMW-MRXNPFEDSA-N 1 1 331.485 3.993 20 30 EHEDMO CC[N@H+](CCOc1ccc(Cl)cc1Br)C[C@@H](C)C#N ZINC000064248793 1020383239 /nfs/dbraw/zinc/38/32/39/1020383239.db2.gz OEGBMOBHFHAYHO-NSHDSACASA-N 1 1 345.668 3.963 20 30 EHEDMO CC[N@@H+](CCOc1ccc(Cl)cc1Br)C[C@@H](C)C#N ZINC000064248793 1020383246 /nfs/dbraw/zinc/38/32/46/1020383246.db2.gz OEGBMOBHFHAYHO-NSHDSACASA-N 1 1 345.668 3.963 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000280510154 1020448897 /nfs/dbraw/zinc/44/88/97/1020448897.db2.gz BTVOFQXMYCSTFW-LPHOPBHVSA-N 1 1 333.435 3.604 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC(C)C)C2)c(C#N)c1C ZINC000345852170 1020556862 /nfs/dbraw/zinc/55/68/62/1020556862.db2.gz VFQPYBUNAUEGAT-GDBMZVCRSA-N 1 1 331.460 3.853 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC(C)C)C2)c(C#N)c1C ZINC000345852170 1020556870 /nfs/dbraw/zinc/55/68/70/1020556870.db2.gz VFQPYBUNAUEGAT-GDBMZVCRSA-N 1 1 331.460 3.853 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccn(C(F)F)c1=O ZINC000602484344 1032913843 /nfs/dbraw/zinc/91/38/43/1032913843.db2.gz OCTLTJWWGHWSOP-SJORKVTESA-N 1 1 343.377 3.515 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccn(C(F)F)c1=O ZINC000602484344 1032913854 /nfs/dbraw/zinc/91/38/54/1032913854.db2.gz OCTLTJWWGHWSOP-SJORKVTESA-N 1 1 343.377 3.515 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000093872282 1032919305 /nfs/dbraw/zinc/91/93/05/1032919305.db2.gz KCKTVONQRQBMEW-LEWJYISDSA-N 1 1 346.478 3.954 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000093872282 1032919313 /nfs/dbraw/zinc/91/93/13/1032919313.db2.gz KCKTVONQRQBMEW-LEWJYISDSA-N 1 1 346.478 3.954 20 30 EHEDMO C[C@@H]1C[NH+](Cc2ccccc2NC2CCC(C#N)CC2)C[C@@H](C)O1 ZINC000602490120 1032919496 /nfs/dbraw/zinc/91/94/96/1032919496.db2.gz CHYAKDFHXHKKPW-HNXFYBAISA-N 1 1 327.472 3.790 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000093872445 1032919716 /nfs/dbraw/zinc/91/97/16/1032919716.db2.gz IWVZQGKOJWCIFB-LEWJYISDSA-N 1 1 343.434 3.539 20 30 EHEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNCc2cccc(C#N)n2)C1 ZINC000602516144 1032929590 /nfs/dbraw/zinc/92/95/90/1032929590.db2.gz IOBVAUMBZVEYQE-HDICACEKSA-N 1 1 348.494 3.721 20 30 EHEDMO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)CCC#N ZINC000276325421 1021037538 /nfs/dbraw/zinc/03/75/38/1021037538.db2.gz PTZWTCCXVHHUCT-LBPRGKRZSA-N 1 1 327.350 3.658 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)CCC#N ZINC000276325421 1021037540 /nfs/dbraw/zinc/03/75/40/1021037540.db2.gz PTZWTCCXVHHUCT-LBPRGKRZSA-N 1 1 327.350 3.658 20 30 EHEDMO C[C@H](CCC#N)[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000276337477 1021051060 /nfs/dbraw/zinc/05/10/60/1021051060.db2.gz SQDMRWAZWBYVQR-CQSZACIVSA-N 1 1 334.851 3.572 20 30 EHEDMO C=CCC[N@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000276400783 1021188864 /nfs/dbraw/zinc/18/88/64/1021188864.db2.gz KNXZAXQYEIAWPO-GOSISDBHSA-N 1 1 332.444 3.601 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1c1cccs1 ZINC000157334390 1021207155 /nfs/dbraw/zinc/20/71/55/1021207155.db2.gz WFNJNBLITNIOFW-HNNXBMFYSA-N 1 1 328.437 3.844 20 30 EHEDMO C=C(C)C[N@H+](Cc1cc2ccc(F)cc2[nH]1)Cc1ccc(CO)o1 ZINC000581634366 1021214235 /nfs/dbraw/zinc/21/42/35/1021214235.db2.gz LOTVNQFKMWIRNR-UHFFFAOYSA-N 1 1 328.387 3.971 20 30 EHEDMO C=C(C)C[N@@H+](Cc1cc2ccc(F)cc2[nH]1)Cc1ccc(CO)o1 ZINC000581634366 1021214246 /nfs/dbraw/zinc/21/42/46/1021214246.db2.gz LOTVNQFKMWIRNR-UHFFFAOYSA-N 1 1 328.387 3.971 20 30 EHEDMO C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000516245780 1021225409 /nfs/dbraw/zinc/22/54/09/1021225409.db2.gz SZIOTVTZVKRAMA-SJORKVTESA-N 1 1 347.478 3.644 20 30 EHEDMO C[C@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCCC[C@H]1C ZINC000337354165 1021424610 /nfs/dbraw/zinc/42/46/10/1021424610.db2.gz CSZNKWFPQCBVTN-CHWSQXEVSA-N 1 1 334.851 3.596 20 30 EHEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1-c1ccccc1C#N ZINC000518889836 1021663841 /nfs/dbraw/zinc/66/38/41/1021663841.db2.gz PROASOGDNWFWSW-SFHVURJKSA-N 1 1 347.462 3.829 20 30 EHEDMO C[C@@H](CNCc1ccc(C#N)cc1C(F)(F)F)[N@@H+]1CCCC[C@H]1C ZINC000581755217 1021688128 /nfs/dbraw/zinc/68/81/28/1021688128.db2.gz BTAIGIKWWZVTTJ-KGLIPLIRSA-N 1 1 339.405 3.930 20 30 EHEDMO C[C@@H](CNCc1ccc(C#N)cc1C(F)(F)F)[N@H+]1CCCC[C@H]1C ZINC000581755217 1021688135 /nfs/dbraw/zinc/68/81/35/1021688135.db2.gz BTAIGIKWWZVTTJ-KGLIPLIRSA-N 1 1 339.405 3.930 20 30 EHEDMO COc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)cc(Cl)c1OC ZINC000127291059 1021714520 /nfs/dbraw/zinc/71/45/20/1021714520.db2.gz BTWJOOREKXKSOF-UHFFFAOYSA-N 1 1 330.815 3.861 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000449666245 1033007309 /nfs/dbraw/zinc/00/73/09/1033007309.db2.gz DLKHSNDNZQBGHY-SWLSCSKDSA-N 1 1 349.780 3.650 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000449666245 1033007322 /nfs/dbraw/zinc/00/73/22/1033007322.db2.gz DLKHSNDNZQBGHY-SWLSCSKDSA-N 1 1 349.780 3.650 20 30 EHEDMO C=CCC1(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000664784078 1021939387 /nfs/dbraw/zinc/93/93/87/1021939387.db2.gz WILIDJXZBSLLNJ-LJQANCHMSA-N 1 1 341.499 3.697 20 30 EHEDMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026323895 1033023243 /nfs/dbraw/zinc/02/32/43/1033023243.db2.gz WWVQMBTWMYUTGH-ZDUSSCGKSA-N 1 1 327.815 3.671 20 30 EHEDMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026323895 1033023253 /nfs/dbraw/zinc/02/32/53/1033023253.db2.gz WWVQMBTWMYUTGH-ZDUSSCGKSA-N 1 1 327.815 3.671 20 30 EHEDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CCCCCC#N)C2)s1 ZINC000593689310 1033025196 /nfs/dbraw/zinc/02/51/96/1033025196.db2.gz ZUPFXSJJMGVZQE-KRWDZBQOSA-N 1 1 347.528 3.811 20 30 EHEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)CC(=O)N[C@](C)(C#N)C(C)C ZINC000441339035 1022158891 /nfs/dbraw/zinc/15/88/91/1022158891.db2.gz HAGGVFMENHSAJX-TZIWHRDSSA-N 1 1 343.515 3.693 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000437833385 1022195386 /nfs/dbraw/zinc/19/53/86/1022195386.db2.gz BVFXGJGNWCHAIZ-NQIIRXRSSA-N 1 1 347.462 3.639 20 30 EHEDMO COCC[N@H+](Cc1c(C)nn(C(C)C)c1C)Cc1ccc(C#N)cc1 ZINC000891680754 1022303815 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EHEDMO CCCC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@@H](C)c1ccccc1 ZINC000532352102 1030576486 /nfs/dbraw/zinc/57/64/86/1030576486.db2.gz DQBGNZSHIDETRI-MSOLQXFVSA-N 1 1 329.488 3.858 20 30 EHEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000448010716 1030664551 /nfs/dbraw/zinc/66/45/51/1030664551.db2.gz GGINNVAMSOOSSO-QGZVFWFLSA-N 1 1 342.487 3.730 20 30 EHEDMO N#Cc1cc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)ccc1F ZINC000160572823 1030867084 /nfs/dbraw/zinc/86/70/84/1030867084.db2.gz GUYZUMQVTWCQSK-INIZCTEOSA-N 1 1 330.428 3.940 20 30 EHEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1cccc(F)c1 ZINC000097056795 1030885463 /nfs/dbraw/zinc/88/54/63/1030885463.db2.gz GFQGUPOBDOYBFP-NGEICVOHSA-N 1 1 345.462 3.577 20 30 EHEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1cccc(F)c1 ZINC000097056795 1030885491 /nfs/dbraw/zinc/88/54/91/1030885491.db2.gz GFQGUPOBDOYBFP-NGEICVOHSA-N 1 1 345.462 3.577 20 30 EHEDMO C[C@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000527377401 1030889763 /nfs/dbraw/zinc/88/97/63/1030889763.db2.gz IKLLVRHPOKPZSD-QGZVFWFLSA-N 1 1 347.462 3.909 20 30 EHEDMO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1cccc(C(=O)OC)c1C#N ZINC000527489556 1030944714 /nfs/dbraw/zinc/94/47/14/1030944714.db2.gz XCHLOXPHAAZYTJ-UHFFFAOYSA-N 1 1 347.418 3.848 20 30 EHEDMO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1cccc(C(=O)OC)c1C#N ZINC000527489556 1030944727 /nfs/dbraw/zinc/94/47/27/1030944727.db2.gz XCHLOXPHAAZYTJ-UHFFFAOYSA-N 1 1 347.418 3.848 20 30 EHEDMO N#Cc1ccc(OCCC[N@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000729851891 1031014396 /nfs/dbraw/zinc/01/43/96/1031014396.db2.gz DCVPVOACRKRHRR-OAQYLSRUSA-N 1 1 336.435 3.791 20 30 EHEDMO C=CCOc1cccc(NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000448407754 1031022516 /nfs/dbraw/zinc/02/25/16/1031022516.db2.gz QFHSPFWPLCOGLV-QGZVFWFLSA-N 1 1 345.487 3.741 20 30 EHEDMO C=C[C@@H](CC(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000536155260 1031060424 /nfs/dbraw/zinc/06/04/24/1031060424.db2.gz QKQQWBJPQKRYCM-IBGZPJMESA-N 1 1 348.490 3.911 20 30 EHEDMO C[C@H](c1ccc(NC(=O)NC[C@H]2CC=CCC2)cc1)[NH+]1CCOCC1 ZINC000329585207 1031216092 /nfs/dbraw/zinc/21/60/92/1031216092.db2.gz WKDSBMFLGPMGLU-SJORKVTESA-N 1 1 343.471 3.762 20 30 EHEDMO N#Cc1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)c(C(F)(F)F)c1 ZINC000527809787 1031244841 /nfs/dbraw/zinc/24/48/41/1031244841.db2.gz NOUHFYYLZKBDHG-INIZCTEOSA-N 1 1 337.389 3.684 20 30 EHEDMO N#Cc1ccc(CNC[C@@H]2CC[N@H+]2C2CCCC2)c(C(F)(F)F)c1 ZINC000527809787 1031244857 /nfs/dbraw/zinc/24/48/57/1031244857.db2.gz NOUHFYYLZKBDHG-INIZCTEOSA-N 1 1 337.389 3.684 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC#Cc1ccccc1 ZINC000483730056 1031305253 /nfs/dbraw/zinc/30/52/53/1031305253.db2.gz PJHKRMTUOMUORC-NPHXMPSESA-N 1 1 332.491 3.784 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](CC)c1nccs1 ZINC000161165109 1031371386 /nfs/dbraw/zinc/37/13/86/1031371386.db2.gz WRRWBTVOKNXCCF-UKRRQHHQSA-N 1 1 349.525 3.849 20 30 EHEDMO CC[N@H+](CC(=O)Nc1ccccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000042741965 1031452478 /nfs/dbraw/zinc/45/24/78/1031452478.db2.gz OYIIBMOLUFDKBS-OAHLLOKOSA-N 1 1 337.423 3.588 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1ccccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000042741965 1031452482 /nfs/dbraw/zinc/45/24/82/1031452482.db2.gz OYIIBMOLUFDKBS-OAHLLOKOSA-N 1 1 337.423 3.588 20 30 EHEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000477486976 1031588824 /nfs/dbraw/zinc/58/88/24/1031588824.db2.gz UNSWXPOGOQIGMV-QGZVFWFLSA-N 1 1 336.391 3.503 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000052803854 1031701078 /nfs/dbraw/zinc/70/10/78/1031701078.db2.gz WNNLFEDTRFXQTH-QGZVFWFLSA-N 1 1 325.437 3.785 20 30 EHEDMO N#Cc1ccc(C(F)(F)F)nc1NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000528116395 1031745247 /nfs/dbraw/zinc/74/52/47/1031745247.db2.gz ISXQKCPILMJTEH-CQSZACIVSA-N 1 1 338.377 3.791 20 30 EHEDMO C=CC[N@H+](CC(=O)N[C@H]1CCOc2ccccc21)CC1CCCCC1 ZINC000484671990 1031859094 /nfs/dbraw/zinc/85/90/94/1031859094.db2.gz UKBUBLWISFNIDY-IBGZPJMESA-N 1 1 342.483 3.695 20 30 EHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2cccc(CC#N)c2)C1 ZINC000455911042 1031955199 /nfs/dbraw/zinc/95/51/99/1031955199.db2.gz DHWORBZYCAHARL-OXJNMPFZSA-N 1 1 348.450 3.710 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181290693 1031967673 /nfs/dbraw/zinc/96/76/73/1031967673.db2.gz OKHQBBUAWQEVQR-QGZVFWFLSA-N 1 1 337.471 3.981 20 30 EHEDMO COc1ccc(CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC(C)(C)C)cc1 ZINC000598593912 1033316225 /nfs/dbraw/zinc/31/62/25/1033316225.db2.gz WNEDSDHHQYXBTN-SFHVURJKSA-N 1 1 346.515 3.887 20 30 EHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000598594973 1033317546 /nfs/dbraw/zinc/31/75/46/1033317546.db2.gz PQUPGMFMAIFPEN-SJORKVTESA-N 1 1 325.456 3.648 20 30 EHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000598594316 1033318297 /nfs/dbraw/zinc/31/82/97/1033318297.db2.gz HGGJTQHARLAGNN-HUUCEWRRSA-N 1 1 347.528 3.502 20 30 EHEDMO COc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c(Br)cn1 ZINC000598599792 1033324288 /nfs/dbraw/zinc/32/42/88/1033324288.db2.gz FKJPNTMTJNHMIV-NSHDSACASA-N 1 1 346.228 3.575 20 30 EHEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCCC1 ZINC000449839979 1033331768 /nfs/dbraw/zinc/33/17/68/1033331768.db2.gz OLZAEUQQLASMGR-FQEVSTJZSA-N 1 1 340.511 3.804 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[NH2+][C@H](C(F)F)C2CCCCC2)c1 ZINC000598650986 1033365907 /nfs/dbraw/zinc/36/59/07/1033365907.db2.gz VGKSRPALECMOME-KRWDZBQOSA-N 1 1 335.398 3.690 20 30 EHEDMO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000594466625 1033408218 /nfs/dbraw/zinc/40/82/18/1033408218.db2.gz BRJPVGUKIFIJCT-MRXNPFEDSA-N 1 1 347.422 3.580 20 30 EHEDMO N#Cc1ccc(C[NH2+]C[C@@H](OC2CCCC2)C(F)(F)F)c(F)c1 ZINC000594968506 1033606061 /nfs/dbraw/zinc/60/60/61/1033606061.db2.gz QBDUGIFROPLQQU-OAHLLOKOSA-N 1 1 330.325 3.677 20 30 EHEDMO CC(C)c1nc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cs1 ZINC000594985114 1033618870 /nfs/dbraw/zinc/61/88/70/1033618870.db2.gz XAWRTNSTDJKXLD-UHFFFAOYSA-N 1 1 341.480 3.934 20 30 EHEDMO CC(C)(C#N)c1ccc(C[NH2+][C@@H](CO)c2ccc(F)cc2F)cc1 ZINC000594993973 1033624336 /nfs/dbraw/zinc/62/43/36/1033624336.db2.gz CWGDVHAMZOMOQD-SFHVURJKSA-N 1 1 330.378 3.589 20 30 EHEDMO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000595058200 1033637477 /nfs/dbraw/zinc/63/74/77/1033637477.db2.gz ZGVVYIJFPWPKQM-XMSQKQJNSA-N 1 1 333.479 3.601 20 30 EHEDMO CC(C)N(C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)C1CCCC1 ZINC000063750399 1033671509 /nfs/dbraw/zinc/67/15/09/1033671509.db2.gz GNLIEPCEQHRSIG-UHFFFAOYSA-N 1 1 341.499 3.948 20 30 EHEDMO N#CC1(CC(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)CCCCC1 ZINC000595254319 1033712615 /nfs/dbraw/zinc/71/26/15/1033712615.db2.gz PTBREHYDGRVQMP-KRWDZBQOSA-N 1 1 345.874 3.677 20 30 EHEDMO N#CC1(CC(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)CCCCC1 ZINC000595254320 1033713017 /nfs/dbraw/zinc/71/30/17/1033713017.db2.gz PTBREHYDGRVQMP-QGZVFWFLSA-N 1 1 345.874 3.677 20 30 EHEDMO Cn1cc[nH+]c1C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1 ZINC000078558941 1033713500 /nfs/dbraw/zinc/71/35/00/1033713500.db2.gz YHYYLZZOOXYCPK-GOSISDBHSA-N 1 1 347.378 3.596 20 30 EHEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595332532 1033732328 /nfs/dbraw/zinc/73/23/28/1033732328.db2.gz JVQVFEJFLRXCGE-NPMXOYFQSA-N 1 1 326.465 3.531 20 30 EHEDMO C=CCOc1c(Cl)cc(C[N@H+](C)Cc2cccnc2)cc1OC ZINC000628234991 1033789425 /nfs/dbraw/zinc/78/94/25/1033789425.db2.gz VFAAQBUTXFUROD-UHFFFAOYSA-N 1 1 332.831 3.940 20 30 EHEDMO C=CCOc1c(Cl)cc(C[N@@H+](C)Cc2cccnc2)cc1OC ZINC000628234991 1033789437 /nfs/dbraw/zinc/78/94/37/1033789437.db2.gz VFAAQBUTXFUROD-UHFFFAOYSA-N 1 1 332.831 3.940 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccncc3)C2)c(C(F)(F)F)c1 ZINC000595488297 1033812237 /nfs/dbraw/zinc/81/22/37/1033812237.db2.gz KMNDPAOITKAGDC-HNNXBMFYSA-N 1 1 331.341 3.962 20 30 EHEDMO COc1cccc([C@@H]2[C@H](N[C@H](C#N)c3ccccc3)CC[N@@H+]2C2CC2)c1 ZINC000595476769 1033825486 /nfs/dbraw/zinc/82/54/86/1033825486.db2.gz PACDLABOCKBSMI-YPAWHYETSA-N 1 1 347.462 3.827 20 30 EHEDMO COc1cccc([C@@H]2[C@H](N[C@H](C#N)c3ccccc3)CC[N@H+]2C2CC2)c1 ZINC000595476769 1033825489 /nfs/dbraw/zinc/82/54/89/1033825489.db2.gz PACDLABOCKBSMI-YPAWHYETSA-N 1 1 347.462 3.827 20 30 EHEDMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595540130 1033834461 /nfs/dbraw/zinc/83/44/61/1033834461.db2.gz IEPKBAQGTPIURQ-LJQANCHMSA-N 1 1 342.483 3.935 20 30 EHEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000599259642 1033838897 /nfs/dbraw/zinc/83/88/97/1033838897.db2.gz PLTYJQPSXJMSKY-ZWKOTPCHSA-N 1 1 348.874 3.548 20 30 EHEDMO N#CC1(C[C@H](O)C[N@H+]2CCCCC[C@H]2c2ccccc2)CCOCC1 ZINC000599265358 1033841622 /nfs/dbraw/zinc/84/16/22/1033841622.db2.gz QMHKKSUBPLHZGW-PMACEKPBSA-N 1 1 342.483 3.675 20 30 EHEDMO Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC000599372420 1033891529 /nfs/dbraw/zinc/89/15/29/1033891529.db2.gz JLUKGHSGEAKPQM-PGRDOPGGSA-N 1 1 333.479 3.867 20 30 EHEDMO N#CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000595619656 1033903443 /nfs/dbraw/zinc/90/34/43/1033903443.db2.gz FFPCXMILQRTUMI-CYBMUJFWSA-N 1 1 339.361 3.660 20 30 EHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000595623362 1033906644 /nfs/dbraw/zinc/90/66/44/1033906644.db2.gz NYEOVGMQKMRTGX-NSHDSACASA-N 1 1 334.217 3.716 20 30 EHEDMO N#CC[C@@H]1CCC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000595623362 1033906658 /nfs/dbraw/zinc/90/66/58/1033906658.db2.gz NYEOVGMQKMRTGX-NSHDSACASA-N 1 1 334.217 3.716 20 30 EHEDMO CC(C)(C)[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccsc1 ZINC000595600919 1033914968 /nfs/dbraw/zinc/91/49/68/1033914968.db2.gz LPGKJVSAXRBUTB-UHFFFAOYSA-N 1 1 327.453 3.859 20 30 EHEDMO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccsc1 ZINC000595600919 1033914976 /nfs/dbraw/zinc/91/49/76/1033914976.db2.gz LPGKJVSAXRBUTB-UHFFFAOYSA-N 1 1 327.453 3.859 20 30 EHEDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000595679449 1033930317 /nfs/dbraw/zinc/93/03/17/1033930317.db2.gz WIILSHIANWAIKP-BLLLJJGKSA-N 1 1 326.362 3.560 20 30 EHEDMO 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3.675 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000511876077 1041815880 /nfs/dbraw/zinc/81/58/80/1041815880.db2.gz RBQHAOUSNSRSDG-NJYVYQBISA-N 1 1 345.446 3.765 20 30 EHEDMO N#Cc1ccsc1NC(=O)CC[N@@H+](Cc1cccs1)C1CC1 ZINC000044898136 1042002101 /nfs/dbraw/zinc/00/21/01/1042002101.db2.gz OQOMORWIKBEAPM-UHFFFAOYSA-N 1 1 331.466 3.674 20 30 EHEDMO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C#N)cc1)c1ccccc1Cl ZINC000045027205 1042024907 /nfs/dbraw/zinc/02/49/07/1042024907.db2.gz WDYAXXBMSSHBLS-KRWDZBQOSA-N 1 1 342.830 3.636 20 30 EHEDMO C=CC[N@H+](CCCc1nc(-c2ccc(C)c(F)c2)no1)[C@@H](C)COC ZINC000661244179 1042025320 /nfs/dbraw/zinc/02/53/20/1042025320.db2.gz RBVSURGZVKHYGR-HNNXBMFYSA-N 1 1 347.434 3.640 20 30 EHEDMO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000661405192 1042102087 /nfs/dbraw/zinc/10/20/87/1042102087.db2.gz UBGIJDFERHIYTP-GOSISDBHSA-N 1 1 329.488 3.647 20 30 EHEDMO C=CCC1([NH2+]Cc2nnc(C(=O)Nc3ccccc3)s2)CCCC1 ZINC000661850935 1042365144 /nfs/dbraw/zinc/36/51/44/1042365144.db2.gz BFPOYGVMGJZUHU-UHFFFAOYSA-N 1 1 342.468 3.769 20 30 EHEDMO C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@H]3CCCCO3)CC2)c1C ZINC000661870302 1042374475 /nfs/dbraw/zinc/37/44/75/1042374475.db2.gz FEORDXOHVRLGRZ-OAQYLSRUSA-N 1 1 344.499 3.755 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000662084393 1042501740 /nfs/dbraw/zinc/50/17/40/1042501740.db2.gz RBYWRGNZPCRYGL-BMFZPTHFSA-N 1 1 325.412 3.989 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000662082321 1042504324 /nfs/dbraw/zinc/50/43/24/1042504324.db2.gz SXKNCQRJEQCPPS-YUELXQCFSA-N 1 1 336.382 3.798 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000662088092 1042507322 /nfs/dbraw/zinc/50/73/22/1042507322.db2.gz VVRIACPSWQBMDX-MCIONIFRSA-N 1 1 327.453 3.806 20 30 EHEDMO O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000330305316 1042873934 /nfs/dbraw/zinc/87/39/34/1042873934.db2.gz QOMBFWOIXNBMMX-MRXNPFEDSA-N 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ZINC000414186028 1125595316 /nfs/dbraw/zinc/59/53/16/1125595316.db2.gz OWURMJXSHCTJAH-IRLDBZIGSA-N 1 1 347.462 3.904 20 30 EHEDMO C[C@H](C#N)C[N@H+](C)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000072581220 1126768463 /nfs/dbraw/zinc/76/84/63/1126768463.db2.gz KZYQYMFRLILAFV-MRXNPFEDSA-N 1 1 337.423 3.899 20 30 EHEDMO C[C@H](C#N)C[N@@H+](C)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000072581220 1126768465 /nfs/dbraw/zinc/76/84/65/1126768465.db2.gz KZYQYMFRLILAFV-MRXNPFEDSA-N 1 1 337.423 3.899 20 30 EHEDMO C=CCN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)C(C)(C)C ZINC000622945490 1126838316 /nfs/dbraw/zinc/83/83/16/1126838316.db2.gz FRTKJDQFKSLPBJ-CHWSQXEVSA-N 1 1 334.426 3.708 20 30 EHEDMO C=CC[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000623527200 1126976039 /nfs/dbraw/zinc/97/60/39/1126976039.db2.gz LZALGAZGBBHVNW-IAGOWNOFSA-N 1 1 347.528 3.568 20 30 EHEDMO O=[N+]([O-])c1cc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cs1 ZINC000177715816 1126987675 /nfs/dbraw/zinc/98/76/75/1126987675.db2.gz IKCKTWMRIGOYGI-UHFFFAOYSA-N 1 1 340.326 3.816 20 30 EHEDMO C=CC[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000623693060 1127022282 /nfs/dbraw/zinc/02/22/82/1127022282.db2.gz AZBXBQDAQUVFOJ-QWFCFKBJSA-N 1 1 341.499 3.505 20 30 EHEDMO C=CCCC[C@@H](C)NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000181415293 1127276267 /nfs/dbraw/zinc/27/62/67/1127276267.db2.gz BEZYUYNALGEKKQ-QUCCMNQESA-N 1 1 343.515 3.895 20 30 EHEDMO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](C)C#N)cc1 ZINC000183818142 1127387810 /nfs/dbraw/zinc/38/78/10/1127387810.db2.gz SYQAWCSCZRZFSQ-INIZCTEOSA-N 1 1 346.434 3.797 20 30 EHEDMO CC(=[NH+]Nc1ccc(F)cc1C)c1cccc(N2CCOCC2)c1 ZINC000750938981 1127504044 /nfs/dbraw/zinc/50/40/44/1127504044.db2.gz RXBXPRXPBZZABR-UHFFFAOYSA-N 1 1 327.403 3.807 20 30 EHEDMO CN(CCC#N)c1ccc(C=[NH+]NCc2ccc(Cl)cc2)cc1 ZINC000764717663 1127525896 /nfs/dbraw/zinc/52/58/96/1127525896.db2.gz ZFWUOKCLTBEKSY-UHFFFAOYSA-N 1 1 326.831 3.814 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000347585407 1128122042 /nfs/dbraw/zinc/12/20/42/1128122042.db2.gz UKWFVRPHJQFBDO-ROUUACIJSA-N 1 1 327.472 3.528 20 30 EHEDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000273069315 1128438772 /nfs/dbraw/zinc/43/87/72/1128438772.db2.gz ZHVPXROIJOIUCM-ZIAGYGMSSA-N 1 1 328.416 3.531 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2csc(Br)c2)c(F)c1 ZINC000105642674 1128470513 /nfs/dbraw/zinc/47/05/13/1128470513.db2.gz MVSQQKJIUBEQKV-UHFFFAOYSA-N 1 1 325.206 3.811 20 30 EHEDMO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cn1 ZINC000301500374 1128593891 /nfs/dbraw/zinc/59/38/91/1128593891.db2.gz FSZJKYHHCBCNKM-QGZVFWFLSA-N 1 1 344.821 3.822 20 30 EHEDMO N#Cc1ccc(N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cn1 ZINC000301500374 1128593894 /nfs/dbraw/zinc/59/38/94/1128593894.db2.gz FSZJKYHHCBCNKM-QGZVFWFLSA-N 1 1 344.821 3.822 20 30 EHEDMO CC[N@@H+]1CC[C@@H](Nc2ccc(C#N)cn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000302136851 1128621847 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EHEDMO N#Cc1ccnc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000303946552 1128709672 /nfs/dbraw/zinc/70/96/72/1128709672.db2.gz LDBKFTCEPASQTP-MRXNPFEDSA-N 1 1 326.831 3.683 20 30 EHEDMO COc1ccc(Br)c(C[NH2+]Cc2ccc(C#N)cc2)c1 ZINC000110057749 1128765419 /nfs/dbraw/zinc/76/54/19/1128765419.db2.gz VRGDGLZZNDJANQ-UHFFFAOYSA-N 1 1 331.213 3.619 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(F)cc2C#N)C1 ZINC000252170636 1128817214 /nfs/dbraw/zinc/81/72/14/1128817214.db2.gz NVTTZNMXAUTSTQ-SJORKVTESA-N 1 1 329.463 3.784 20 30 EHEDMO N#Cc1nc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000111217897 1128852503 /nfs/dbraw/zinc/85/25/03/1128852503.db2.gz NHHRGIGNPVCFAM-HNNXBMFYSA-N 1 1 326.831 3.683 20 30 EHEDMO C=CC1CC[NH+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000111256855 1128855816 /nfs/dbraw/zinc/85/58/16/1128855816.db2.gz JWEUVPSILDFVEH-OAHLLOKOSA-N 1 1 343.496 3.775 20 30 EHEDMO C=CCC[C@H](NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC001670779350 1120236568 /nfs/dbraw/zinc/23/65/68/1120236568.db2.gz BMWJDGGDPWWMNE-ROUUACIJSA-N 1 1 329.488 3.866 20 30 EHEDMO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@H]1CCc2ccccc21 ZINC000595877834 1120362537 /nfs/dbraw/zinc/36/25/37/1120362537.db2.gz KQFNUQGKQVKWNT-LJQANCHMSA-N 1 1 347.462 3.595 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000494261333 1120523107 /nfs/dbraw/zinc/52/31/07/1120523107.db2.gz DYMABPPFAGUEOJ-GHRIWEEISA-N 1 1 336.435 3.981 20 30 EHEDMO C=CC[N@@H+](CCOC)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000191110463 1120661462 /nfs/dbraw/zinc/66/14/62/1120661462.db2.gz FSKJGLDMUQOJCE-UHFFFAOYSA-N 1 1 338.451 3.817 20 30 EHEDMO C=CC[N@@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000494631736 1120706935 /nfs/dbraw/zinc/70/69/35/1120706935.db2.gz MRKRQVPQHPDREX-OAHLLOKOSA-N 1 1 327.255 3.775 20 30 EHEDMO C=CC[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000494631736 1120706937 /nfs/dbraw/zinc/70/69/37/1120706937.db2.gz MRKRQVPQHPDREX-OAHLLOKOSA-N 1 1 327.255 3.775 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000112624725 1128936131 /nfs/dbraw/zinc/93/61/31/1128936131.db2.gz GPGHBTMYPIWQQW-SJLPKXTDSA-N 1 1 329.463 3.784 20 30 EHEDMO C=CCCCCC[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000193575801 1120785964 /nfs/dbraw/zinc/78/59/64/1120785964.db2.gz YMPRSKIQQKRRPM-UHFFFAOYSA-N 1 1 348.438 3.815 20 30 EHEDMO Cc1[nH+]c(C=NNC(=S)Nc2ccc(C)c(C)c2)c2ccccn12 ZINC000914601083 1120921274 /nfs/dbraw/zinc/92/12/74/1120921274.db2.gz IBAQMTHYUBJJRR-UHFFFAOYSA-N 1 1 337.452 3.580 20 30 EHEDMO CC[C@@H](C/N=C/c1c(O)cccc1OC)[N@H+]1CCc2ccccc2C1 ZINC000914701902 1120956155 /nfs/dbraw/zinc/95/61/55/1120956155.db2.gz RCHGNPXLVYNZAU-OVBDPADQSA-N 1 1 338.451 3.657 20 30 EHEDMO CCC[N@@H+](CC(=O)N([C@H](C)C1CC1)C1CC1)Cc1ccc(C#N)cc1 ZINC000076995411 1128971882 /nfs/dbraw/zinc/97/18/82/1128971882.db2.gz ZVXLMCKEHCCJHU-MRXNPFEDSA-N 1 1 339.483 3.560 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](CC)Cc1ccoc1 ZINC000153552326 1121313416 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C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000115595377 1129277589 /nfs/dbraw/zinc/27/75/89/1129277589.db2.gz XHJBDPMEEFTVAD-XOBRGWDASA-N 1 1 329.403 3.589 20 30 EHEDMO C=C(C)CN(CC)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067734647 1129301363 /nfs/dbraw/zinc/30/13/63/1129301363.db2.gz GAXMNHUOPZUVOA-LJQANCHMSA-N 1 1 329.488 3.506 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000080375692 1129351702 /nfs/dbraw/zinc/35/17/02/1129351702.db2.gz YAUUBJZTLHPWPP-CQSZACIVSA-N 1 1 345.406 3.935 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000735670903 1131371863 /nfs/dbraw/zinc/37/18/63/1131371863.db2.gz ZECZGPCASTWMGC-YJBOKZPZSA-N 1 1 343.471 3.951 20 30 EHEDMO C=CC[C@H](CC)NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000466378396 1129409840 /nfs/dbraw/zinc/40/98/40/1129409840.db2.gz LYYHTDRWPKZPQL-HKUYNNGSSA-N 1 1 329.488 3.647 20 30 EHEDMO C=CCCO[C@H](C)C(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000347713775 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20 30 EHEDMO C#C[C@@H](C)[NH2+][C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000774477591 1133686619 /nfs/dbraw/zinc/68/66/19/1133686619.db2.gz NIQJPZYYHVFKBE-CXAGYDPISA-N 1 1 346.352 3.997 20 30 EHEDMO N#C[C@@H]1CCCCN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001182936479 1133753301 /nfs/dbraw/zinc/75/33/01/1133753301.db2.gz AVRLECUENGBHSO-NRFANRHFSA-N 1 1 347.462 3.593 20 30 EHEDMO Cc1ccccc1-n1nccc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC001183180064 1133776155 /nfs/dbraw/zinc/77/61/55/1133776155.db2.gz KQKJVCWGHMWFGB-UHFFFAOYSA-N 1 1 342.446 3.805 20 30 EHEDMO Cc1ccccc1-n1nccc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC001183180064 1133776159 /nfs/dbraw/zinc/77/61/59/1133776159.db2.gz KQKJVCWGHMWFGB-UHFFFAOYSA-N 1 1 342.446 3.805 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]12C[C@H]3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC001184500659 1133952462 /nfs/dbraw/zinc/95/24/62/1133952462.db2.gz WZVUCUQQIFULBP-WJRACZLCSA-N 1 1 330.516 3.750 20 30 EHEDMO C#Cc1ccc(C[N@@H+](C)Cc2cc3c(cc2OC(F)F)OCO3)cc1 ZINC000787770051 1134039429 /nfs/dbraw/zinc/03/94/29/1134039429.db2.gz ALCIYACUXVANGN-UHFFFAOYSA-N 1 1 345.345 3.630 20 30 EHEDMO C#Cc1ccc(C[N@H+](C)Cc2cc3c(cc2OC(F)F)OCO3)cc1 ZINC000787770051 1134039434 /nfs/dbraw/zinc/03/94/34/1134039434.db2.gz ALCIYACUXVANGN-UHFFFAOYSA-N 1 1 345.345 3.630 20 30 EHEDMO C#CC(C)(C)[N@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000787997632 1134062222 /nfs/dbraw/zinc/06/22/22/1134062222.db2.gz MUUIFLOJZZHLDG-LJQANCHMSA-N 1 1 340.492 3.606 20 30 EHEDMO C#CC(C)(C)[N@@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000787997632 1134062230 /nfs/dbraw/zinc/06/22/30/1134062230.db2.gz MUUIFLOJZZHLDG-LJQANCHMSA-N 1 1 340.492 3.606 20 30 EHEDMO CCCC[N@@H+](C)CCNc1ccc(C#N)c(Br)c1F ZINC001185313613 1134068580 /nfs/dbraw/zinc/06/85/80/1134068580.db2.gz NBONOCRLDZYEFK-UHFFFAOYSA-N 1 1 328.229 3.604 20 30 EHEDMO N#Cc1nc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)sc1Cl ZINC001185421502 1134082965 /nfs/dbraw/zinc/08/29/65/1134082965.db2.gz WVUYPKFZIGGWSE-ZDUSSCGKSA-N 1 1 332.860 3.745 20 30 EHEDMO CC(C)(C)OC(=O)NCCC[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000774915963 1134124307 /nfs/dbraw/zinc/12/43/07/1134124307.db2.gz WKAQSXRKFXZVPX-ZWKOTPCHSA-N 1 1 343.471 3.673 20 30 EHEDMO CC(C)(C)OC(=O)NCCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000774915963 1134124312 /nfs/dbraw/zinc/12/43/12/1134124312.db2.gz WKAQSXRKFXZVPX-ZWKOTPCHSA-N 1 1 343.471 3.673 20 30 EHEDMO CC(C)(C)OC(=O)NCCC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000774915961 1134124319 /nfs/dbraw/zinc/12/43/19/1134124319.db2.gz WKAQSXRKFXZVPX-QZTJIDSGSA-N 1 1 343.471 3.673 20 30 EHEDMO CC(C)(C)OC(=O)NCCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000774915961 1134124321 /nfs/dbraw/zinc/12/43/21/1134124321.db2.gz WKAQSXRKFXZVPX-QZTJIDSGSA-N 1 1 343.471 3.673 20 30 EHEDMO C#CCC1(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCCCC1 ZINC000788460370 1134128085 /nfs/dbraw/zinc/12/80/85/1134128085.db2.gz QECPCNZJPCWXOV-QUCCMNQESA-N 1 1 338.495 3.597 20 30 EHEDMO C=CCCCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC001186320580 1134195230 /nfs/dbraw/zinc/19/52/30/1134195230.db2.gz RSXUGRSLVCPBBX-OAQYLSRUSA-N 1 1 334.463 3.696 20 30 EHEDMO C=CCCCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1 ZINC001186320580 1134195232 /nfs/dbraw/zinc/19/52/32/1134195232.db2.gz RSXUGRSLVCPBBX-OAQYLSRUSA-N 1 1 334.463 3.696 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)CCCOc2cccc3ccccc32)n1 ZINC000789325359 1134256542 /nfs/dbraw/zinc/25/65/42/1134256542.db2.gz CVHRCXMBBHMYQG-UHFFFAOYSA-N 1 1 347.462 3.961 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)CCCOc2cccc3ccccc32)n1 ZINC000789325359 1134256548 /nfs/dbraw/zinc/25/65/48/1134256548.db2.gz CVHRCXMBBHMYQG-UHFFFAOYSA-N 1 1 347.462 3.961 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2nccn2-c2ccccc2)c1 ZINC000790965529 1134486042 /nfs/dbraw/zinc/48/60/42/1134486042.db2.gz MGTWUMVVRWTKQX-LJQANCHMSA-N 1 1 346.434 3.843 20 30 EHEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)NC1c2ccccc2-c2ccccc21 ZINC001190058987 1134653395 /nfs/dbraw/zinc/65/33/95/1134653395.db2.gz LMFSNQOTWVKDJP-INIZCTEOSA-N 1 1 347.462 3.706 20 30 EHEDMO COc1ccc(CNC(C)(C)CC[NH+]2CCCCCC2)cc1C#N ZINC000775367473 1134672154 /nfs/dbraw/zinc/67/21/54/1134672154.db2.gz VMYHFUSNJDZWKU-UHFFFAOYSA-N 1 1 329.488 3.701 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC000792278514 1134673036 /nfs/dbraw/zinc/67/30/36/1134673036.db2.gz ADSOVWLXUOVXBA-MOPGFXCFSA-N 1 1 340.467 3.512 20 30 EHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@@]3(C2)CC(F)(F)CO3)CC1 ZINC001170394820 1134763107 /nfs/dbraw/zinc/76/31/07/1134763107.db2.gz BQGSMHWSWSCUTC-ACBHZAAOSA-N 1 1 346.421 3.891 20 30 EHEDMO COC(=O)[C@@H]1CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170398582 1134765537 /nfs/dbraw/zinc/76/55/37/1134765537.db2.gz QHRVQIRUJWJINZ-FQVISZRSSA-N 1 1 340.467 3.666 20 30 EHEDMO C[N@@H+]1CCN(C(=O)c2cccc(C(C)(C)C#N)c2)[C@@H](c2ccccc2)C1 ZINC001190913498 1134769453 /nfs/dbraw/zinc/76/94/53/1134769453.db2.gz ZBNSCMIPPCYOCX-HXUWFJFHSA-N 1 1 347.462 3.617 20 30 EHEDMO C[N@H+]1CCN(C(=O)c2cccc(C(C)(C)C#N)c2)[C@@H](c2ccccc2)C1 ZINC001190913498 1134769458 /nfs/dbraw/zinc/76/94/58/1134769458.db2.gz ZBNSCMIPPCYOCX-HXUWFJFHSA-N 1 1 347.462 3.617 20 30 EHEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001191005466 1134777842 /nfs/dbraw/zinc/77/78/42/1134777842.db2.gz TWNJFKGESBIRRO-AUUYWEPGSA-N 1 1 328.843 3.808 20 30 EHEDMO C#CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC001192305560 1135003595 /nfs/dbraw/zinc/00/35/95/1135003595.db2.gz YATLWPUNRZMSFO-NSHDSACASA-N 1 1 325.239 3.666 20 30 EHEDMO C#CC[N@@H+](CC1CC1)[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC001192305560 1135003597 /nfs/dbraw/zinc/00/35/97/1135003597.db2.gz YATLWPUNRZMSFO-NSHDSACASA-N 1 1 325.239 3.666 20 30 EHEDMO CCC#C[C@H](C)[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC001192673432 1135044521 /nfs/dbraw/zinc/04/45/21/1135044521.db2.gz NBOLCFZRVQSGKU-RYUDHWBXSA-N 1 1 338.245 3.673 20 30 EHEDMO C#C[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F)[C@H]1CCCO1 ZINC000775571357 1135103817 /nfs/dbraw/zinc/10/38/17/1135103817.db2.gz FZSHIERIWGGERP-RIEGTJTDSA-N 1 1 329.774 3.773 20 30 EHEDMO CCCCCCCOC(=O)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC001193986036 1135210849 /nfs/dbraw/zinc/21/08/49/1135210849.db2.gz YLLUNQKHMKXDOP-UHFFFAOYSA-N 1 1 333.476 3.696 20 30 EHEDMO CCCCCCCOC(=O)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC001193986036 1135210853 /nfs/dbraw/zinc/21/08/53/1135210853.db2.gz YLLUNQKHMKXDOP-UHFFFAOYSA-N 1 1 333.476 3.696 20 30 EHEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001194101132 1135233277 /nfs/dbraw/zinc/23/32/77/1135233277.db2.gz HYRQRGBGGBHUOK-IBGZPJMESA-N 1 1 328.843 3.901 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)CC1([C@H]2CCCCO2)CCC1 ZINC001194250232 1135250182 /nfs/dbraw/zinc/25/01/82/1135250182.db2.gz BBZPSSGJOYRQGY-LJQANCHMSA-N 1 1 333.472 3.889 20 30 EHEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC001194348978 1135257920 /nfs/dbraw/zinc/25/79/20/1135257920.db2.gz ULPNBFXEHAJFDR-MAUKXSAKSA-N 1 1 347.890 3.875 20 30 EHEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC001194348978 1135257921 /nfs/dbraw/zinc/25/79/21/1135257921.db2.gz ULPNBFXEHAJFDR-MAUKXSAKSA-N 1 1 347.890 3.875 20 30 EHEDMO N#Cc1ccc(C[NH2+][C@H](CO)c2ccccc2C(F)(F)F)c(F)c1 ZINC001203800496 1135306531 /nfs/dbraw/zinc/30/65/31/1135306531.db2.gz VUIQGRDWQVJQHQ-MRXNPFEDSA-N 1 1 338.304 3.539 20 30 EHEDMO Cc1cc(Br)cc(C[N@@H+](C)Cc2cccc(C#N)c2)c1O ZINC000775649181 1135413649 /nfs/dbraw/zinc/41/36/49/1135413649.db2.gz MBKZEQZIRUTBGN-UHFFFAOYSA-N 1 1 345.240 3.967 20 30 EHEDMO CC(C)O[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001195796881 1135471732 /nfs/dbraw/zinc/47/17/32/1135471732.db2.gz HAQAVOXMGAGKSR-KRWDZBQOSA-N 1 1 325.374 3.946 20 30 EHEDMO C=CC[C@H]1CCC[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)C1 ZINC001195946130 1135497657 /nfs/dbraw/zinc/49/76/57/1135497657.db2.gz HPVRTDIAWAGISW-SFHVURJKSA-N 1 1 339.487 3.799 20 30 EHEDMO COc1ccc(O)c(/C=N\C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000747362361 1135505140 /nfs/dbraw/zinc/50/51/40/1135505140.db2.gz ZBRGBIFSDYENAI-GEYIUBJWSA-N 1 1 344.480 3.793 20 30 EHEDMO C#CCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC)C1CC1 ZINC000807410247 1135543991 /nfs/dbraw/zinc/54/39/91/1135543991.db2.gz LVLALDXIDFGPRH-SFHVURJKSA-N 1 1 347.890 3.530 20 30 EHEDMO C=CC[N@@H+](Cc1nc2cc(C(=O)OCC)ccc2n1CC)C(C)C ZINC000808711055 1135718163 /nfs/dbraw/zinc/71/81/63/1135718163.db2.gz TWEOYTMSJPFCIJ-UHFFFAOYSA-N 1 1 329.444 3.629 20 30 EHEDMO C=CC[N@H+](Cc1nc2cc(C(=O)OCC)ccc2n1CC)C(C)C ZINC000808711055 1135718166 /nfs/dbraw/zinc/71/81/66/1135718166.db2.gz TWEOYTMSJPFCIJ-UHFFFAOYSA-N 1 1 329.444 3.629 20 30 EHEDMO CN(C)c1ccccc1C[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000808785714 1135737010 /nfs/dbraw/zinc/73/70/10/1135737010.db2.gz RBUQIKAXYMAGON-UHFFFAOYSA-N 1 1 343.858 3.940 20 30 EHEDMO CN(C)c1ccccc1C[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000808785714 1135737011 /nfs/dbraw/zinc/73/70/11/1135737011.db2.gz RBUQIKAXYMAGON-UHFFFAOYSA-N 1 1 343.858 3.940 20 30 EHEDMO C[N@@H+](Cc1cccc(C#N)c1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000747533586 1135758882 /nfs/dbraw/zinc/75/88/82/1135758882.db2.gz PLLPUDDOFRGZRW-UHFFFAOYSA-N 1 1 331.460 3.541 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(C(C)(C)C)cc1 ZINC001198505659 1135824887 /nfs/dbraw/zinc/82/48/87/1135824887.db2.gz SGTJWAVUTYPWHT-KRWDZBQOSA-N 1 1 331.529 3.921 20 30 EHEDMO C#C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC001198525462 1135828079 /nfs/dbraw/zinc/82/80/79/1135828079.db2.gz MFFLNFAJEUALRN-CYBMUJFWSA-N 1 1 325.239 3.810 20 30 EHEDMO C#CC[NH+]1CCC(c2nc([C@@H](c3ccc(C)cc3)C(C)C)no2)CC1 ZINC000809507787 1135846282 /nfs/dbraw/zinc/84/62/82/1135846282.db2.gz KKKGUEKGIZPZEF-LJQANCHMSA-N 1 1 337.467 3.979 20 30 EHEDMO C#CC[NH+]1CCC(c2nc(C(C)(C)c3ccc(Cl)cc3)no2)CC1 ZINC000809520558 1135847532 /nfs/dbraw/zinc/84/75/32/1135847532.db2.gz KSQPISWUGXLLFH-UHFFFAOYSA-N 1 1 343.858 3.862 20 30 EHEDMO C#Cc1ccc(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)cc1 ZINC000809585348 1135858651 /nfs/dbraw/zinc/85/86/51/1135858651.db2.gz IBHYOMNQPNLVGS-SFHVURJKSA-N 1 1 344.252 3.596 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1csc(COc2ccc(OC)cc2)n1)C(C)(C)C ZINC000809781507 1135890310 /nfs/dbraw/zinc/89/03/10/1135890310.db2.gz TXKJVSPDORGTQK-QGZVFWFLSA-N 1 1 344.480 3.868 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CCCC2)cc1 ZINC000810034280 1135917432 /nfs/dbraw/zinc/91/74/32/1135917432.db2.gz SRLRWWRTKRTWFM-IBGZPJMESA-N 1 1 341.455 3.582 20 30 EHEDMO C#CCOc1ccccc1C[NH2+][C@@H](COC)c1cccc(Cl)c1 ZINC000810225300 1135940656 /nfs/dbraw/zinc/94/06/56/1135940656.db2.gz AOEXNPSIBNRKLF-SFHVURJKSA-N 1 1 329.827 3.829 20 30 EHEDMO CCOc1ncc(Cl)cc1Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001201507821 1136030305 /nfs/dbraw/zinc/03/03/05/1136030305.db2.gz WAUIHQINSNMDOD-UHFFFAOYSA-N 1 1 348.859 3.798 20 30 EHEDMO CCOc1ncc(Cl)cc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001201507821 1136030306 /nfs/dbraw/zinc/03/03/06/1136030306.db2.gz WAUIHQINSNMDOD-UHFFFAOYSA-N 1 1 348.859 3.798 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001201776347 1136065746 /nfs/dbraw/zinc/06/57/46/1136065746.db2.gz CKZCUQYXNUAJHY-NRFANRHFSA-N 1 1 339.483 3.957 20 30 EHEDMO CCCCCCCCCC[N@H+]1CC[C@H]2OCC[C@@H](C(=O)NC)[C@@H]2C1 ZINC001201852767 1136066539 /nfs/dbraw/zinc/06/65/39/1136066539.db2.gz KPKJBVTWQOWHRL-CEXWTWQISA-N 1 1 338.536 3.600 20 30 EHEDMO CCCCCCCCC[N@@H+]1CCc2c(nnn2CC2CC2)[C@@H]1COC ZINC001201839314 1136069670 /nfs/dbraw/zinc/06/96/70/1136069670.db2.gz KXWTXWZUHCZBEI-IBGZPJMESA-N 1 1 348.535 3.984 20 30 EHEDMO CCCCCCCCC[N@H+]1CCc2c(nnn2CC2CC2)[C@@H]1COC ZINC001201839314 1136069674 /nfs/dbraw/zinc/06/96/74/1136069674.db2.gz KXWTXWZUHCZBEI-IBGZPJMESA-N 1 1 348.535 3.984 20 30 EHEDMO C=CCN1CC[C@H]([N@@H+]2CCCCC[C@@H]2Cc2ccccc2Cl)C1=O ZINC001170668179 1136186170 /nfs/dbraw/zinc/18/61/70/1136186170.db2.gz BITXQJFYONLFAE-MJGOQNOKSA-N 1 1 346.902 3.914 20 30 EHEDMO C#Cc1ccccc1CC(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000812741505 1136240808 /nfs/dbraw/zinc/24/08/08/1136240808.db2.gz UZCFCGQGFJYKMD-UHFFFAOYSA-N 1 1 329.403 3.652 20 30 EHEDMO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000852318760 1136448043 /nfs/dbraw/zinc/44/80/43/1136448043.db2.gz AHPARYBVJMFQQZ-HNNXBMFYSA-N 1 1 328.847 3.960 20 30 EHEDMO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000852318760 1136448045 /nfs/dbraw/zinc/44/80/45/1136448045.db2.gz AHPARYBVJMFQQZ-HNNXBMFYSA-N 1 1 328.847 3.960 20 30 EHEDMO COc1ccccc1CCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852332155 1136449762 /nfs/dbraw/zinc/44/97/62/1136449762.db2.gz ORXQNYOWDIHMFA-NRFANRHFSA-N 1 1 335.451 3.580 20 30 EHEDMO COc1ccccc1CCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852332155 1136449764 /nfs/dbraw/zinc/44/97/64/1136449764.db2.gz ORXQNYOWDIHMFA-NRFANRHFSA-N 1 1 335.451 3.580 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852737477 1136482532 /nfs/dbraw/zinc/48/25/32/1136482532.db2.gz DOSWGNWDQLUCTM-IAOVAPTHSA-N 1 1 347.434 3.556 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852737477 1136482534 /nfs/dbraw/zinc/48/25/34/1136482534.db2.gz DOSWGNWDQLUCTM-IAOVAPTHSA-N 1 1 347.434 3.556 20 30 EHEDMO Oc1ccc(C2CCC(=[NH+]n3cc(Br)cn3)CC2)cc1 ZINC000814884628 1136524558 /nfs/dbraw/zinc/52/45/58/1136524558.db2.gz QXVXWPVYURTZJH-UHFFFAOYSA-N 1 1 334.217 3.913 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)c1ccc(C#N)s1 ZINC000816453718 1136717344 /nfs/dbraw/zinc/71/73/44/1136717344.db2.gz UAXAPMYCEAGMEW-RHSMWYFYSA-N 1 1 340.448 3.687 20 30 EHEDMO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H](C3CCCC3)C2)nc1C1CC1 ZINC000817368838 1136800629 /nfs/dbraw/zinc/80/06/29/1136800629.db2.gz MNJZZVZCWXUIDR-MRXNPFEDSA-N 1 1 332.517 3.947 20 30 EHEDMO C=CCn1c(=S)n(C[N@H+]2CC[C@@H](C3CCCC3)C2)nc1C1CC1 ZINC000817368838 1136800631 /nfs/dbraw/zinc/80/06/31/1136800631.db2.gz MNJZZVZCWXUIDR-MRXNPFEDSA-N 1 1 332.517 3.947 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000817919869 1136846334 /nfs/dbraw/zinc/84/63/34/1136846334.db2.gz WBIPNMKUMRJQOJ-CWJKEVGVSA-N 1 1 341.499 3.768 20 30 EHEDMO C[N@H+]1CCC[C@H](c2cccc(C(=O)NCC(C)(C)CCC#N)c2)C1 ZINC000857259318 1136858044 /nfs/dbraw/zinc/85/80/44/1136858044.db2.gz STVXVJBJSCJIPM-SFHVURJKSA-N 1 1 327.472 3.556 20 30 EHEDMO C[N@H+]1CCC[C@@H](c2cccc(C(=O)NCC3(C#N)CCCCC3)c2)C1 ZINC000857328129 1136863395 /nfs/dbraw/zinc/86/33/95/1136863395.db2.gz PUEPPXVEQSBVFS-LJQANCHMSA-N 1 1 339.483 3.700 20 30 EHEDMO C=CCn1c(C)nn(C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c1=S ZINC000115512862 1136903348 /nfs/dbraw/zinc/90/33/48/1136903348.db2.gz WURZRQDBNINEMH-YOEHRIQHSA-N 1 1 328.485 3.744 20 30 EHEDMO C=CCn1c(C)nn(C[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c1=S ZINC000115512862 1136903350 /nfs/dbraw/zinc/90/33/50/1136903350.db2.gz WURZRQDBNINEMH-YOEHRIQHSA-N 1 1 328.485 3.744 20 30 EHEDMO C=C(Br)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000858127779 1136941957 /nfs/dbraw/zinc/94/19/57/1136941957.db2.gz PVWKHLKVIDWSSI-UHFFFAOYSA-N 1 1 332.263 3.702 20 30 EHEDMO Cc1ccc(O[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)nc1 ZINC000858042365 1136935109 /nfs/dbraw/zinc/93/51/09/1136935109.db2.gz PDRKRQYFZUUVBF-SFHVURJKSA-N 1 1 326.827 3.548 20 30 EHEDMO Cc1ccc(O[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)nc1 ZINC000858042365 1136935110 /nfs/dbraw/zinc/93/51/10/1136935110.db2.gz PDRKRQYFZUUVBF-SFHVURJKSA-N 1 1 326.827 3.548 20 30 EHEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858046409 1136935159 /nfs/dbraw/zinc/93/51/59/1136935159.db2.gz MTMVCFPETJZGRP-HXUWFJFHSA-N 1 1 349.434 3.515 20 30 EHEDMO CCCC[C@@](C)(F)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000820114286 1136977601 /nfs/dbraw/zinc/97/76/01/1136977601.db2.gz MLFPOAGQMAZRMU-HXUWFJFHSA-N 1 1 345.462 3.511 20 30 EHEDMO CCCC[C@@](C)(F)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000820114286 1136977603 /nfs/dbraw/zinc/97/76/03/1136977603.db2.gz MLFPOAGQMAZRMU-HXUWFJFHSA-N 1 1 345.462 3.511 20 30 EHEDMO Cc1ccc(C[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)cc1C#N ZINC000859139357 1137004847 /nfs/dbraw/zinc/00/48/47/1137004847.db2.gz FGMXPDXUIGDUSJ-UHFFFAOYSA-N 1 1 349.434 3.573 20 30 EHEDMO Cc1ccc(C[N@H+]2CCCN(C(=O)Oc3ccccc3)CC2)cc1C#N ZINC000859139357 1137004849 /nfs/dbraw/zinc/00/48/49/1137004849.db2.gz FGMXPDXUIGDUSJ-UHFFFAOYSA-N 1 1 349.434 3.573 20 30 EHEDMO CC(C)C[C@H](C)OC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000820781748 1137005894 /nfs/dbraw/zinc/00/58/94/1137005894.db2.gz HZAIDMKKTPVLQZ-KRWDZBQOSA-N 1 1 343.471 3.637 20 30 EHEDMO CC(C)C[C@H](C)OC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000820781748 1137005896 /nfs/dbraw/zinc/00/58/96/1137005896.db2.gz HZAIDMKKTPVLQZ-KRWDZBQOSA-N 1 1 343.471 3.637 20 30 EHEDMO C=CCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000859603596 1137022136 /nfs/dbraw/zinc/02/21/36/1137022136.db2.gz APNHDGXQTGYDIS-STQMWFEESA-N 1 1 336.398 3.588 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)cc1 ZINC000859908050 1137036749 /nfs/dbraw/zinc/03/67/49/1137036749.db2.gz CEJNGHKNJOPZOE-SFHVURJKSA-N 1 1 346.352 3.669 20 30 EHEDMO Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CCO[C@@H](C)C#N ZINC000859915263 1137036963 /nfs/dbraw/zinc/03/69/63/1137036963.db2.gz PQWLNGCNAYAGGW-XJKSGUPXSA-N 1 1 337.261 3.823 20 30 EHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)cc1F ZINC000860102102 1137044431 /nfs/dbraw/zinc/04/44/31/1137044431.db2.gz AASQDZQMDZZUJB-QGZVFWFLSA-N 1 1 340.398 3.726 20 30 EHEDMO CC(C)C[C@@H](C[NH+]1CCCC1)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000824559353 1137142922 /nfs/dbraw/zinc/14/29/22/1137142922.db2.gz QHRCNIIUDXLNRX-HKUYNNGSSA-N 1 1 329.488 3.578 20 30 EHEDMO N#Cc1ccc(NC(=S)NC[C@H]2CC[N@H+]2C2CCCC2)cc1Cl ZINC000863229883 1137175894 /nfs/dbraw/zinc/17/58/94/1137175894.db2.gz AABFQZRIITZJSD-OAHLLOKOSA-N 1 1 348.903 3.515 20 30 EHEDMO N#Cc1ccc(CO[NH+]=C(N)CCC(F)(F)F)c(C(F)(F)F)c1 ZINC000863491555 1137189290 /nfs/dbraw/zinc/18/92/90/1137189290.db2.gz SIDKFZVLHLHGNH-UHFFFAOYSA-N 1 1 339.239 3.918 20 30 EHEDMO N#Cc1cccc(Cl)c1CN1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001143731029 1137194700 /nfs/dbraw/zinc/19/47/00/1137194700.db2.gz JXHBNBOGOQPVQZ-FQEVSTJZSA-N 1 1 337.854 3.627 20 30 EHEDMO N#Cc1cccc(Cl)c1CN1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001143731029 1137194701 /nfs/dbraw/zinc/19/47/01/1137194701.db2.gz JXHBNBOGOQPVQZ-FQEVSTJZSA-N 1 1 337.854 3.627 20 30 EHEDMO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369346 1137213223 /nfs/dbraw/zinc/21/32/23/1137213223.db2.gz LGDNGZAUBFSNGM-FZKQIMNGSA-N 1 1 346.377 3.886 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1O ZINC000794649624 1137223571 /nfs/dbraw/zinc/22/35/71/1137223571.db2.gz CGOWJICEKJHBGY-NHYWBVRUSA-N 1 1 329.362 3.902 20 30 EHEDMO C=CC[C@@H](C)C(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)cc1 ZINC001144017796 1137229270 /nfs/dbraw/zinc/22/92/70/1137229270.db2.gz NCPNAPBVAUXMCA-MJGOQNOKSA-N 1 1 344.499 3.720 20 30 EHEDMO C=CCC(C)(C)C(=O)N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001144068629 1137234301 /nfs/dbraw/zinc/23/43/01/1137234301.db2.gz OEKCLCPDLSEMTJ-OAQYLSRUSA-N 1 1 344.474 3.995 20 30 EHEDMO C=CCC(C)(C)C(=O)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001144068629 1137234303 /nfs/dbraw/zinc/23/43/03/1137234303.db2.gz OEKCLCPDLSEMTJ-OAQYLSRUSA-N 1 1 344.474 3.995 20 30 EHEDMO N#Cc1cncc(C[N@H+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)c1 ZINC001144080159 1137237357 /nfs/dbraw/zinc/23/73/57/1137237357.db2.gz WQVXEJXXLOMYLK-IBGZPJMESA-N 1 1 341.842 3.788 20 30 EHEDMO N#Cc1cncc(C[N@@H+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)c1 ZINC001144080159 1137237358 /nfs/dbraw/zinc/23/73/58/1137237358.db2.gz WQVXEJXXLOMYLK-IBGZPJMESA-N 1 1 341.842 3.788 20 30 EHEDMO N#CC1(c2ccccc2F)CC[NH+](Cc2ccc3cc[nH]c3n2)CC1 ZINC001144186731 1137251286 /nfs/dbraw/zinc/25/12/86/1137251286.db2.gz GHVUGZOGLUHNOL-UHFFFAOYSA-N 1 1 334.398 3.759 20 30 EHEDMO C#Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)cc1 ZINC001144572138 1137311573 /nfs/dbraw/zinc/31/15/73/1137311573.db2.gz RFCBWTBUIPCYIP-PKTZIBPZSA-N 1 1 346.474 3.882 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC001171220718 1137346260 /nfs/dbraw/zinc/34/62/60/1137346260.db2.gz BEFCKFZJYWLBHN-KRWDZBQOSA-N 1 1 342.446 3.733 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001171225077 1137350773 /nfs/dbraw/zinc/35/07/73/1137350773.db2.gz XOHWWPCKFMOCIF-SXSPYAJSSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001171225077 1137350775 /nfs/dbraw/zinc/35/07/75/1137350775.db2.gz XOHWWPCKFMOCIF-SXSPYAJSSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001171225077 1137350777 /nfs/dbraw/zinc/35/07/77/1137350777.db2.gz XOHWWPCKFMOCIF-SXSPYAJSSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001171228478 1137353373 /nfs/dbraw/zinc/35/33/73/1137353373.db2.gz GSRFXUAHAZMHBM-YJBOKZPZSA-N 1 1 328.456 3.543 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)N1CC[N@H+](C2CCCCC2)[C@@H](C)C1 ZINC001171234334 1137356080 /nfs/dbraw/zinc/35/60/80/1137356080.db2.gz PCOKCTYTLLSUGI-ROUUACIJSA-N 1 1 325.500 3.828 20 30 EHEDMO N#CC1(Nc2ncc3sccc3n2)CC[NH+](Cc2ccccc2)CC1 ZINC001171273850 1137387431 /nfs/dbraw/zinc/38/74/31/1137387431.db2.gz CEJLYOPDBWECAU-UHFFFAOYSA-N 1 1 349.463 3.662 20 30 EHEDMO C[C@@H]1C[N@@H+](C)CC1N=Nc1ccc(-c2cccc(C(F)(F)F)c2)nn1 ZINC000794979856 1137391917 /nfs/dbraw/zinc/39/19/17/1137391917.db2.gz WPRKPQUOCLOVAL-LLVKDONJSA-N 1 1 349.360 3.512 20 30 EHEDMO CCN(C(=O)c1ccc(C#Cc2ccccc2)cc1)[C@@H]1CC[N@@H+](CC)C1 ZINC001146909738 1137396964 /nfs/dbraw/zinc/39/69/64/1137396964.db2.gz FANHYEZGCXOZKX-JOCHJYFZSA-N 1 1 346.474 3.643 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CC2CCC2)c1 ZINC000348196682 1137453797 /nfs/dbraw/zinc/45/37/97/1137453797.db2.gz HUQCAAUWIBIMHS-KRWDZBQOSA-N 1 1 327.472 3.671 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NN[C@@H]1CCCCC1(C)C ZINC000773123124 1137467095 /nfs/dbraw/zinc/46/70/95/1137467095.db2.gz FHFOVFUUTKRZBZ-VQIMIIECSA-N 1 1 328.504 3.838 20 30 EHEDMO C[C@H]1C[C@H](NCc2ccc(Cl)c(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC001171739753 1137511220 /nfs/dbraw/zinc/51/12/20/1137511220.db2.gz GEJHDRNJKWVBPX-KXBFYZLASA-N 1 1 339.870 3.964 20 30 EHEDMO C[C@H]1C[C@H](NCc2ccc(Cl)c(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC001171739753 1137511222 /nfs/dbraw/zinc/51/12/22/1137511222.db2.gz GEJHDRNJKWVBPX-KXBFYZLASA-N 1 1 339.870 3.964 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCC[C@H](C#N)C2)CC12CCC2 ZINC001171858728 1137516118 /nfs/dbraw/zinc/51/61/18/1137516118.db2.gz SXCQDXKOQRBQGI-CVEARBPZSA-N 1 1 333.476 3.544 20 30 EHEDMO C#C[C@H]1CCC[N@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)C1 ZINC001171858500 1137516169 /nfs/dbraw/zinc/51/61/69/1137516169.db2.gz QJMPDRBHIYDMCT-DLBZAZTESA-N 1 1 332.488 3.654 20 30 EHEDMO CC[NH+](CC)Cc1ccc(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)cc1 ZINC000871072386 1137520994 /nfs/dbraw/zinc/52/09/94/1137520994.db2.gz KKVYFKWCHANBIL-UHFFFAOYSA-N 1 1 347.422 3.529 20 30 EHEDMO N#CCCN(CCC#N)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172081303 1137531773 /nfs/dbraw/zinc/53/17/73/1137531773.db2.gz FBTFTYYBBLJTDF-WKCHPHFGSA-N 1 1 336.483 3.701 20 30 EHEDMO N#C[C@]1(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC2CCC1CC2 ZINC000888577778 1137543314 /nfs/dbraw/zinc/54/33/14/1137543314.db2.gz TWGJSDVPBULPNZ-ALLBUHFWSA-N 1 1 338.455 3.730 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC001172306258 1137545730 /nfs/dbraw/zinc/54/57/30/1137545730.db2.gz JHGAGDBZDFDDBJ-LJQANCHMSA-N 1 1 333.479 3.697 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001172306258 1137545732 /nfs/dbraw/zinc/54/57/32/1137545732.db2.gz JHGAGDBZDFDDBJ-LJQANCHMSA-N 1 1 333.479 3.697 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001172306258 1137545733 /nfs/dbraw/zinc/54/57/33/1137545733.db2.gz JHGAGDBZDFDDBJ-LJQANCHMSA-N 1 1 333.479 3.697 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001172310896 1137545858 /nfs/dbraw/zinc/54/58/58/1137545858.db2.gz LGZVYDJANVHPPN-JLTOFOAXSA-N 1 1 342.389 3.841 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001172310896 1137545860 /nfs/dbraw/zinc/54/58/60/1137545860.db2.gz LGZVYDJANVHPPN-JLTOFOAXSA-N 1 1 342.389 3.841 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC001172319949 1137546743 /nfs/dbraw/zinc/54/67/43/1137546743.db2.gz SGKJRJYIOIYUPY-YJBOKZPZSA-N 1 1 328.456 3.685 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC001172319949 1137546744 /nfs/dbraw/zinc/54/67/44/1137546744.db2.gz SGKJRJYIOIYUPY-YJBOKZPZSA-N 1 1 328.456 3.685 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2ncc(C(F)(F)F)cc2C1 ZINC001172320525 1137547195 /nfs/dbraw/zinc/54/71/95/1137547195.db2.gz VNFDNRJCAOZADL-CYBMUJFWSA-N 1 1 345.368 3.961 20 30 EHEDMO CCCCCCC[C@H](CC)[N@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001172356800 1137554291 /nfs/dbraw/zinc/55/42/91/1137554291.db2.gz YIGBEZVVFQDZHQ-SJORKVTESA-N 1 1 336.524 3.890 20 30 EHEDMO CCCCCCC[C@H](CC)[N@@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001172356800 1137554292 /nfs/dbraw/zinc/55/42/92/1137554292.db2.gz YIGBEZVVFQDZHQ-SJORKVTESA-N 1 1 336.524 3.890 20 30 EHEDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CC12CCCCCC2 ZINC000871990943 1137564192 /nfs/dbraw/zinc/56/41/92/1137564192.db2.gz LDTOJTKCWNADNM-MOPGFXCFSA-N 1 1 348.531 3.739 20 30 EHEDMO N#Cc1ccc(C2(C(=O)O[C@H]3CC[N@H+]4CCC[C@H]4C3)CCCC2)cc1 ZINC000873527017 1137601652 /nfs/dbraw/zinc/60/16/52/1137601652.db2.gz MIGSCFLCAKLQLK-OALUTQOASA-N 1 1 338.451 3.540 20 30 EHEDMO C=C(Br)C[NH2+][C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000125102113 1137620328 /nfs/dbraw/zinc/62/03/28/1137620328.db2.gz XMZDCDJZWBWGCM-LBPRGKRZSA-N 1 1 338.167 3.891 20 30 EHEDMO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc3nccnc3c2)C1 ZINC001137089831 1137633828 /nfs/dbraw/zinc/63/38/28/1137633828.db2.gz APKMFXZSHFINIU-GOSISDBHSA-N 1 1 344.418 3.545 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)COC)cc1)c1ccc(F)cc1 ZINC000825955774 1137674233 /nfs/dbraw/zinc/67/42/33/1137674233.db2.gz RQIDFPRCRAQKBG-MGPUTAFESA-N 1 1 327.399 3.704 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccc(F)cc1 ZINC000877544627 1137680702 /nfs/dbraw/zinc/68/07/02/1137680702.db2.gz SJFJKIXCDWKOTG-HXUWFJFHSA-N 1 1 336.410 3.526 20 30 EHEDMO COc1cccc(C2([NH2+]Cc3cc(C#N)cnc3Cl)CCC2)c1 ZINC000877636587 1137683728 /nfs/dbraw/zinc/68/37/28/1137683728.db2.gz CMOIBGYMRITAIK-UHFFFAOYSA-N 1 1 327.815 3.784 20 30 EHEDMO C[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc2c(c1)CCCO2 ZINC000877643260 1137684111 /nfs/dbraw/zinc/68/41/11/1137684111.db2.gz FTGNJLNTAGEJNP-LBPRGKRZSA-N 1 1 327.815 3.782 20 30 EHEDMO CC[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1cccc(OC)c1OC ZINC000877708868 1137686553 /nfs/dbraw/zinc/68/65/53/1137686553.db2.gz YFYKUPHZDRJTJT-HNNXBMFYSA-N 1 1 345.830 3.865 20 30 EHEDMO C[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc(C(F)(F)F)nc1 ZINC000877827625 1137692341 /nfs/dbraw/zinc/69/23/41/1137692341.db2.gz GGZICLRNLUISEZ-SECBINFHSA-N 1 1 340.736 3.871 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCCC[C@H]1c1cccn1C)c1ccccc1 ZINC000878157466 1137704975 /nfs/dbraw/zinc/70/49/75/1137704975.db2.gz GBGCBQVLTJIQDS-VXKWHMMOSA-N 1 1 349.478 3.993 20 30 EHEDMO C=CC(C)(C)CC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000878331345 1137711065 /nfs/dbraw/zinc/71/10/65/1137711065.db2.gz SGJGPUBIMWXMIX-UHFFFAOYSA-N 1 1 336.426 3.648 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)C[C@H](C)c1nccs1)c1ccccc1 ZINC000878407308 1137714756 /nfs/dbraw/zinc/71/47/56/1137714756.db2.gz PTINHRRFZOPRTB-HNAYVOBHSA-N 1 1 341.480 3.619 20 30 EHEDMO C[N@@H+](CCCOc1ccc(Cl)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000127223166 1137721600 /nfs/dbraw/zinc/72/16/00/1137721600.db2.gz RXNPTRWWGSAOEP-LJQANCHMSA-N 1 1 344.842 3.646 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1Cc2ccccc2O[C@@H](C)C1)c1ccccc1 ZINC000878645457 1137723637 /nfs/dbraw/zinc/72/36/37/1137723637.db2.gz MBCWLXOODLEWJL-HTAPYJJXSA-N 1 1 348.446 3.710 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1Cc2ccccc2O[C@@H](C)C1)c1ccccc1 ZINC000878645457 1137723638 /nfs/dbraw/zinc/72/36/38/1137723638.db2.gz MBCWLXOODLEWJL-HTAPYJJXSA-N 1 1 348.446 3.710 20 30 EHEDMO C[C@H]1CC2(C[N@H+]1CC1(CC#N)CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000878729716 1137726574 /nfs/dbraw/zinc/72/65/74/1137726574.db2.gz OFIZLDFXIIAGQU-INIZCTEOSA-N 1 1 347.503 3.792 20 30 EHEDMO N#CCCn1cc(C(=O)C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c2ccccc21 ZINC000879528532 1137749919 /nfs/dbraw/zinc/74/99/19/1137749919.db2.gz FUDRHGYPCCNLLB-CALCHBBNSA-N 1 1 333.435 3.636 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c(Br)c1 ZINC000879562304 1137750961 /nfs/dbraw/zinc/75/09/61/1137750961.db2.gz DEHMOOXRGRGECF-ZIAGYGMSSA-N 1 1 337.286 3.506 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@](C)(C(F)(F)F)C1)c1ccccc1 ZINC000880005452 1137764695 /nfs/dbraw/zinc/76/46/95/1137764695.db2.gz XQNDFSQRZOLOFQ-IAGOWNOFSA-N 1 1 338.373 3.701 20 30 EHEDMO Cc1csc([C@@H]2CC[N@@H+](CCCOc3cccc(C#N)c3)C2)n1 ZINC000880006970 1137764849 /nfs/dbraw/zinc/76/48/49/1137764849.db2.gz ANJUJTGCBQBDGB-MRXNPFEDSA-N 1 1 327.453 3.582 20 30 EHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000888862424 1137799073 /nfs/dbraw/zinc/79/90/73/1137799073.db2.gz DXAWSTBICZJACI-KKUMJFAQSA-N 1 1 331.485 3.607 20 30 EHEDMO CN(C(=O)Nc1ccc(C2CC2)c(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000881121920 1137800582 /nfs/dbraw/zinc/80/05/82/1137800582.db2.gz UOBIFOHWJQLWGB-JWTNVVGKSA-N 1 1 338.455 3.525 20 30 EHEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000130764436 1137841925 /nfs/dbraw/zinc/84/19/25/1137841925.db2.gz NAKGLWDCDKDLQI-BEFAXECRSA-N 1 1 337.471 3.983 20 30 EHEDMO CC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1ccc(C#N)cc1 ZINC000883290140 1137853045 /nfs/dbraw/zinc/85/30/45/1137853045.db2.gz LONQMZUKFICSIC-QFIPXVFZSA-N 1 1 348.494 3.551 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000108364019 1137889325 /nfs/dbraw/zinc/88/93/25/1137889325.db2.gz ORZIPKKLIRPZHF-CQSZACIVSA-N 1 1 333.501 3.997 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000108355774 1137889330 /nfs/dbraw/zinc/88/93/30/1137889330.db2.gz OFKQSATZNDLCAM-OAGGEKHMSA-N 1 1 345.512 3.997 20 30 EHEDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000331392898 1137892819 /nfs/dbraw/zinc/89/28/19/1137892819.db2.gz BCMWOTSBTFXHSY-HZPDHXFCSA-N 1 1 349.434 3.515 20 30 EHEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(OCc2ccccn2)c1 ZINC000112532455 1137908462 /nfs/dbraw/zinc/90/84/62/1137908462.db2.gz JYSSJGYQBODIOU-IRXDYDNUSA-N 1 1 334.423 3.755 20 30 EHEDMO C=CC[C@H](C)NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000116970984 1137928554 /nfs/dbraw/zinc/92/85/54/1137928554.db2.gz CBJLSSKQMQMETL-KRWDZBQOSA-N 1 1 329.488 3.505 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000121039798 1137954667 /nfs/dbraw/zinc/95/46/67/1137954667.db2.gz XBOSEMWCBZDAKI-MRXNPFEDSA-N 1 1 349.434 3.512 20 30 EHEDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)CC1(C#N)CCC1 ZINC000885933340 1138026486 /nfs/dbraw/zinc/02/64/86/1138026486.db2.gz QWAVBWIWAXUKDF-OAHLLOKOSA-N 1 1 326.362 3.582 20 30 EHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)CCC1 ZINC000886049704 1138035331 /nfs/dbraw/zinc/03/53/31/1138035331.db2.gz SLMRIFLIOCQORM-QZTJIDSGSA-N 1 1 337.467 3.792 20 30 EHEDMO C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886229409 1138061355 /nfs/dbraw/zinc/06/13/55/1138061355.db2.gz PATIPQLQXSYXLK-TZMCWYRMSA-N 1 1 346.862 3.654 20 30 EHEDMO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886229409 1138061357 /nfs/dbraw/zinc/06/13/57/1138061357.db2.gz PATIPQLQXSYXLK-TZMCWYRMSA-N 1 1 346.862 3.654 20 30 EHEDMO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886229409 1138061358 /nfs/dbraw/zinc/06/13/58/1138061358.db2.gz PATIPQLQXSYXLK-TZMCWYRMSA-N 1 1 346.862 3.654 20 30 EHEDMO N#CCC[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000348378551 1138067424 /nfs/dbraw/zinc/06/74/24/1138067424.db2.gz JOVHPKQWLCTBPE-INIZCTEOSA-N 1 1 330.229 3.631 20 30 EHEDMO CCC[N@H+]1Cc2cccc(N[C@@H](C)C(=O)Nc3cccc(C#N)c3)c2C1 ZINC000066968674 1138079308 /nfs/dbraw/zinc/07/93/08/1138079308.db2.gz UTYIVQISGWHFJU-HNNXBMFYSA-N 1 1 348.450 3.723 20 30 EHEDMO C=CCCC[C@H](COc1ccccc1)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000886612446 1138101962 /nfs/dbraw/zinc/10/19/62/1138101962.db2.gz LKEQVJQBRQWHAP-IAGOWNOFSA-N 1 1 325.456 3.661 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC000886890694 1138166943 /nfs/dbraw/zinc/16/69/43/1138166943.db2.gz PYJNLVGWBVMAIT-QKLQHJQFSA-N 1 1 347.503 3.792 20 30 EHEDMO Cc1occc1C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000092438476 1138228190 /nfs/dbraw/zinc/22/81/90/1138228190.db2.gz OLMRNRKBNJHDTQ-UHFFFAOYSA-N 1 1 334.423 3.997 20 30 EHEDMO CC(C)n1cnnc1[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000093201594 1138234683 /nfs/dbraw/zinc/23/46/83/1138234683.db2.gz OSRJEDHFJZCPKD-KRWDZBQOSA-N 1 1 342.874 3.744 20 30 EHEDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000093201594 1138234685 /nfs/dbraw/zinc/23/46/85/1138234685.db2.gz OSRJEDHFJZCPKD-KRWDZBQOSA-N 1 1 342.874 3.744 20 30 EHEDMO COc1ccc(C[N@H+]2CCC[C@H]2CSC)cc1OCCCC#N ZINC000093761484 1138240765 /nfs/dbraw/zinc/24/07/65/1138240765.db2.gz IABRURFNVICGTR-INIZCTEOSA-N 1 1 334.485 3.705 20 30 EHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000126604913 1138333890 /nfs/dbraw/zinc/33/38/90/1138333890.db2.gz WOOSOJSTCMBJGY-ZIAGYGMSSA-N 1 1 349.500 3.745 20 30 EHEDMO C=CCCn1cc(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)sc2C)nn1 ZINC000887533895 1138401085 /nfs/dbraw/zinc/40/10/85/1138401085.db2.gz NIARHVHEKICXJQ-GOOCMWNKSA-N 1 1 343.500 3.626 20 30 EHEDMO C=CCC[C@@H](O)C[N@H+](CCC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000129838485 1138424404 /nfs/dbraw/zinc/42/44/04/1138424404.db2.gz HLEZZVTWTRIZEN-CQSZACIVSA-N 1 1 349.862 3.929 20 30 EHEDMO C=CCN1CC[C@@H]([NH+](Cc2cccs2)Cc2cccs2)C1=O ZINC000337132152 1138474202 /nfs/dbraw/zinc/47/42/02/1138474202.db2.gz LBZDPLAUUHQVER-MRXNPFEDSA-N 1 1 332.494 3.599 20 30 EHEDMO C[C@@H](c1cccc(NCc2ccc(C#N)cc2F)c1)[NH+]1CCOCC1 ZINC000264392377 1138498971 /nfs/dbraw/zinc/49/89/71/1138498971.db2.gz SHWJKHBIKVUQDE-HNNXBMFYSA-N 1 1 339.414 3.703 20 30 EHEDMO CCN(C(=O)c1cccc(C#N)c1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000337797541 1138670418 /nfs/dbraw/zinc/67/04/18/1138670418.db2.gz GDCZZDJYDJHKOK-HXUWFJFHSA-N 1 1 347.462 3.603 20 30 EHEDMO CC[N@@H+](CCc1nccs1)Cc1ccc(C#N)cc1OC(F)F ZINC000338359623 1138854100 /nfs/dbraw/zinc/85/41/00/1138854100.db2.gz RFTWEGRZXBMAIS-UHFFFAOYSA-N 1 1 337.395 3.681 20 30 EHEDMO C[C@H]1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000429570365 1139310190 /nfs/dbraw/zinc/31/01/90/1139310190.db2.gz ONOMCPGSEIGDEU-GOEBONIOSA-N 1 1 333.863 3.707 20 30 EHEDMO Cc1cccc(C(C)(C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000179585699 1139765918 /nfs/dbraw/zinc/76/59/18/1139765918.db2.gz NOBFLEYZZJWFKL-UHFFFAOYSA-N 1 1 332.407 3.942 20 30 EHEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)Cc3ccc(C#N)cc3)c2C1 ZINC000179769699 1139781722 /nfs/dbraw/zinc/78/17/22/1139781722.db2.gz ZIXANGAWVFQMRY-UHFFFAOYSA-N 1 1 333.435 3.711 20 30 EHEDMO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1nc2c(s1)CCCC2 ZINC000180550276 1139844313 /nfs/dbraw/zinc/84/43/13/1139844313.db2.gz NBJUUMGQPJIGLN-ZDUSSCGKSA-N 1 1 327.453 3.775 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)s1 ZINC000180637826 1139852624 /nfs/dbraw/zinc/85/26/24/1139852624.db2.gz LKGXDCOIRDDAKJ-QAPCUYQASA-N 1 1 330.428 3.847 20 30 EHEDMO C[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000181682019 1139924393 /nfs/dbraw/zinc/92/43/93/1139924393.db2.gz UEZPAELBUACGMK-GHTZIAJQSA-N 1 1 333.479 3.773 20 30 EHEDMO C[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000181682019 1139924397 /nfs/dbraw/zinc/92/43/97/1139924397.db2.gz UEZPAELBUACGMK-GHTZIAJQSA-N 1 1 333.479 3.773 20 30 EHEDMO N#CCSCCC[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182607977 1139982232 /nfs/dbraw/zinc/98/22/32/1139982232.db2.gz GFCIPXQWECUXBM-HNNXBMFYSA-N 1 1 344.402 3.726 20 30 EHEDMO N#CCSCCC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182607977 1139982235 /nfs/dbraw/zinc/98/22/35/1139982235.db2.gz GFCIPXQWECUXBM-HNNXBMFYSA-N 1 1 344.402 3.726 20 30 EHEDMO C=CC[C@@H](CO)NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000182886347 1139998934 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CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000426145334 1022987553 /nfs/dbraw/zinc/98/75/53/1022987553.db2.gz ZGXKXZQGSNDNFM-OCCSQVGLSA-N 1 1 334.851 3.548 20 30 EHEDMO C[NH+](C)[C@@H](C(=O)NCC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000598316066 1033098523 /nfs/dbraw/zinc/09/85/23/1033098523.db2.gz IHXUARSGZUXRTA-MRXNPFEDSA-N 1 1 333.863 3.533 20 30 EHEDMO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)n2)c2ccccc21 ZINC000602713572 1033099895 /nfs/dbraw/zinc/09/98/95/1033099895.db2.gz VZRGTRGRBJVUMM-OALUTQOASA-N 1 1 349.434 3.613 20 30 EHEDMO CC[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000506368455 1023022665 /nfs/dbraw/zinc/02/26/65/1023022665.db2.gz IKEGQJKBDCJLQZ-HXUWFJFHSA-N 1 1 336.435 3.748 20 30 EHEDMO CC[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000506368455 1023022675 /nfs/dbraw/zinc/02/26/75/1023022675.db2.gz IKEGQJKBDCJLQZ-HXUWFJFHSA-N 1 1 336.435 3.748 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000441484567 1023169351 /nfs/dbraw/zinc/16/93/51/1023169351.db2.gz JTFSJKPQZWETCB-ICSRJNTNSA-N 1 1 339.483 3.815 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CCc1cccc2ccccc21 ZINC000507277291 1023228165 /nfs/dbraw/zinc/22/81/65/1023228165.db2.gz JAGFEDOGOOMHLU-GOSISDBHSA-N 1 1 336.479 3.903 20 30 EHEDMO COc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@H](Oc3cccc(C#N)c3)C1)C2 ZINC001168284313 1033129995 /nfs/dbraw/zinc/12/99/95/1033129995.db2.gz SXWPFJSNUWEXDP-DENIHFKCSA-N 1 1 348.446 3.577 20 30 EHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000164400112 1033131612 /nfs/dbraw/zinc/13/16/12/1033131612.db2.gz LUKGGWKIFNWYTA-LJQANCHMSA-N 1 1 333.435 3.594 20 30 EHEDMO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH+]1CCN(CCC#N)CC1 ZINC000602748189 1033137510 /nfs/dbraw/zinc/13/75/10/1033137510.db2.gz LHWDFALDQGVHKP-NTCAYCPXSA-N 1 1 337.389 3.640 20 30 EHEDMO CCCCOc1ccc(-c2nnc(CO[NH+]=C(N)CC(C)C)o2)cc1 ZINC000065204177 1023901902 /nfs/dbraw/zinc/90/19/02/1023901902.db2.gz NMINEEFXKHSQFH-UHFFFAOYSA-N 1 1 346.431 3.750 20 30 EHEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000181330002 1023908275 /nfs/dbraw/zinc/90/82/75/1023908275.db2.gz WEIYQNNGKRKGCT-UHFFFAOYSA-N 1 1 331.641 3.549 20 30 EHEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000181330002 1023908283 /nfs/dbraw/zinc/90/82/83/1023908283.db2.gz WEIYQNNGKRKGCT-UHFFFAOYSA-N 1 1 331.641 3.549 20 30 EHEDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccnc(C#N)c1 ZINC000610992795 1023985416 /nfs/dbraw/zinc/98/54/16/1023985416.db2.gz JUZDQHCAYPXPPS-UHFFFAOYSA-N 1 1 349.413 3.547 20 30 EHEDMO COc1ccc(C[N@@H+](Cc2ccnc(C#N)c2)C(C)(C)C)c(OC)c1 ZINC000610994628 1023999592 /nfs/dbraw/zinc/99/95/92/1023999592.db2.gz YXXDCTKBQKMGRA-UHFFFAOYSA-N 1 1 339.439 3.771 20 30 EHEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000514092879 1024125519 /nfs/dbraw/zinc/12/55/19/1024125519.db2.gz GUJLEIUMEMDKHN-KRWDZBQOSA-N 1 1 349.478 3.812 20 30 EHEDMO COc1ccccc1[C@H](CNC(=O)C1CCC(=O)CC1)[NH+]1CCCC1 ZINC000329839463 1024218520 /nfs/dbraw/zinc/21/85/20/1024218520.db2.gz JENZTOHEFFLVME-SFHVURJKSA-N 1 1 344.455 3.548 20 30 EHEDMO Cc1cnccc1OC1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000329850728 1024222124 /nfs/dbraw/zinc/22/21/24/1024222124.db2.gz QHQHVGJFTKANCY-UHFFFAOYSA-N 1 1 331.460 3.522 20 30 EHEDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000329866258 1024227822 /nfs/dbraw/zinc/22/78/22/1024227822.db2.gz UUSNXLWMQPFDBT-XNJGSVPQSA-N 1 1 342.443 3.875 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000329886650 1024236651 /nfs/dbraw/zinc/23/66/51/1024236651.db2.gz WKFXXHSTFHICAR-BETUJISGSA-N 1 1 332.835 3.987 20 30 EHEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000330000504 1024281893 /nfs/dbraw/zinc/28/18/93/1024281893.db2.gz WNMBLJWKWSVKPL-ZDUSSCGKSA-N 1 1 337.427 3.597 20 30 EHEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC1CCC(C)(C)CC1 ZINC000330017251 1024291055 /nfs/dbraw/zinc/29/10/55/1024291055.db2.gz QUEGIIKIXLNMGT-UHFFFAOYSA-N 1 1 343.475 3.744 20 30 EHEDMO O=C(NC[C@H]1CCCC1=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000330078846 1024312855 /nfs/dbraw/zinc/31/28/55/1024312855.db2.gz IHXPSLIJVDNCNW-JKSUJKDBSA-N 1 1 343.471 3.819 20 30 EHEDMO CC[C@H](C)n1ncc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1C ZINC000330100329 1024318778 /nfs/dbraw/zinc/31/87/78/1024318778.db2.gz DUWKIXUHXSIHJQ-HOCLYGCPSA-N 1 1 335.496 3.514 20 30 EHEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2cc3ccccc3n2)C1 ZINC000330109106 1024321833 /nfs/dbraw/zinc/32/18/33/1024321833.db2.gz OSNZMZVVAZCBIF-OAHLLOKOSA-N 1 1 328.460 3.503 20 30 EHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1cccc2c1OCCCO2 ZINC000330289820 1024384474 /nfs/dbraw/zinc/38/44/74/1024384474.db2.gz FGQKJRMJJCJSHJ-MRXNPFEDSA-N 1 1 332.444 3.569 20 30 EHEDMO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000469255292 1024471574 /nfs/dbraw/zinc/47/15/74/1024471574.db2.gz PLVOQTXJPVZHCS-OAHLLOKOSA-N 1 1 340.398 3.509 20 30 EHEDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000469255292 1024471580 /nfs/dbraw/zinc/47/15/80/1024471580.db2.gz PLVOQTXJPVZHCS-OAHLLOKOSA-N 1 1 340.398 3.509 20 30 EHEDMO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(C#N)cn1 ZINC000425230039 1024475012 /nfs/dbraw/zinc/47/50/12/1024475012.db2.gz CHYYKKOYMNOMIC-FPOVZHCZSA-N 1 1 346.478 3.753 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](C)CCOc2ccccc2)cc1OC ZINC000434986301 1024540643 /nfs/dbraw/zinc/54/06/43/1024540643.db2.gz GLEUOTWXWBGYNQ-UHFFFAOYSA-N 1 1 327.424 3.771 20 30 EHEDMO N#Cc1cc(Cl)ccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248566704 1024565691 /nfs/dbraw/zinc/56/56/91/1024565691.db2.gz PBUKDRVWJSIMHB-KXBFYZLASA-N 1 1 329.875 3.660 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1 ZINC000071887169 1024575393 /nfs/dbraw/zinc/57/53/93/1024575393.db2.gz HTPNENUWXPAWRP-FQEVSTJZSA-N 1 1 348.450 3.734 20 30 EHEDMO COc1cccc(CCC[N@@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000514630785 1024608059 /nfs/dbraw/zinc/60/80/59/1024608059.db2.gz NXNUMVHQMJYXBN-UHFFFAOYSA-N 1 1 338.451 3.648 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000514650359 1024634931 /nfs/dbraw/zinc/63/49/31/1024634931.db2.gz IYICLHDWEQSIFU-QLIIJSOBSA-N 1 1 342.483 3.718 20 30 EHEDMO C=CC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000435135220 1024646464 /nfs/dbraw/zinc/64/64/64/1024646464.db2.gz NGFIFVPQUYBKQM-UHFFFAOYSA-N 1 1 338.367 3.766 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000435135220 1024646466 /nfs/dbraw/zinc/64/64/66/1024646466.db2.gz NGFIFVPQUYBKQM-UHFFFAOYSA-N 1 1 338.367 3.766 20 30 EHEDMO N#Cc1cccc(SC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000430137313 1024667189 /nfs/dbraw/zinc/66/71/89/1024667189.db2.gz VTHGAAINRNKLAS-IBGZPJMESA-N 1 1 338.476 3.941 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000185795226 1024668554 /nfs/dbraw/zinc/66/85/54/1024668554.db2.gz KNNIKRSNJDQGDI-IBGZPJMESA-N 1 1 347.890 3.574 20 30 EHEDMO C=CCc1cc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)cc(OC)c1O ZINC000281248516 1024779632 /nfs/dbraw/zinc/77/96/32/1024779632.db2.gz MIJBGXZNTROATB-SFHVURJKSA-N 1 1 341.455 3.590 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCCC[C@H]2c2ccnn2C)cc(OC)c1O ZINC000281248516 1024779637 /nfs/dbraw/zinc/77/96/37/1024779637.db2.gz MIJBGXZNTROATB-SFHVURJKSA-N 1 1 341.455 3.590 20 30 EHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](CC)Cc1ccccc1 ZINC000096573802 1024791742 /nfs/dbraw/zinc/79/17/42/1024791742.db2.gz ZVOHFKDBTBDIQV-FQEVSTJZSA-N 1 1 325.452 3.677 20 30 EHEDMO C=CCC1(O)CC[NH+](Cc2cc3cnn(C(C)C)c3nc2Cl)CC1 ZINC000895835494 1024900223 /nfs/dbraw/zinc/90/02/23/1024900223.db2.gz HVUSWBCFIURGFT-UHFFFAOYSA-N 1 1 348.878 3.569 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc1Cl ZINC000895835871 1024902835 /nfs/dbraw/zinc/90/28/35/1024902835.db2.gz HFLGNPBUYLFJSI-OAHLLOKOSA-N 1 1 349.780 3.652 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc1Cl ZINC000895835871 1024902844 /nfs/dbraw/zinc/90/28/44/1024902844.db2.gz HFLGNPBUYLFJSI-OAHLLOKOSA-N 1 1 349.780 3.652 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000346595259 1024906669 /nfs/dbraw/zinc/90/66/69/1024906669.db2.gz VTJBQGZCXTXSNY-MSOLQXFVSA-N 1 1 347.462 3.602 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000346595260 1024906861 /nfs/dbraw/zinc/90/68/61/1024906861.db2.gz VTJBQGZCXTXSNY-QZTJIDSGSA-N 1 1 347.462 3.602 20 30 EHEDMO C=CC[C@@H](C)C(=O)N1CCC[C@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001269959169 1024907298 /nfs/dbraw/zinc/90/72/98/1024907298.db2.gz BMCLWTROTGHPLX-NVXWUHKLSA-N 1 1 346.437 3.856 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c1C ZINC000342333155 1024925804 /nfs/dbraw/zinc/92/58/04/1024925804.db2.gz DDRRHQCGZQJYSD-CALCHBBNSA-N 1 1 327.472 3.813 20 30 EHEDMO Cc1cc(C#N)cc(NCc2ccccc2C[N@@H+](C)Cc2ccco2)n1 ZINC000342356114 1025043373 /nfs/dbraw/zinc/04/33/73/1025043373.db2.gz FXNLZOPCNURBSE-UHFFFAOYSA-N 1 1 346.434 3.521 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CC3(CC(OC)(OC)C3)[C@H]2C(C)C)cc1 ZINC000895996952 1025050676 /nfs/dbraw/zinc/05/06/76/1025050676.db2.gz VXPHUKQOTGIWMA-LJQANCHMSA-N 1 1 345.483 3.861 20 30 EHEDMO C=CCC(F)(F)C(=O)N1CC2(CC[N@@H+]2C[C@H](CC)CCCC)C1 ZINC001270000582 1025071573 /nfs/dbraw/zinc/07/15/73/1025071573.db2.gz GKIIUBPBUPVECZ-OAHLLOKOSA-N 1 1 328.447 3.701 20 30 EHEDMO CC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@H](C)C(C)C ZINC000520849627 1025082780 /nfs/dbraw/zinc/08/27/80/1025082780.db2.gz SLKMNEPOCONOLY-GOSISDBHSA-N 1 1 329.488 3.917 20 30 EHEDMO N#CCCOCC[N@H+]1CCC[C@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000602931823 1033258312 /nfs/dbraw/zinc/25/83/12/1033258312.db2.gz UBCSHECXCKKQRO-HNNXBMFYSA-N 1 1 330.325 3.912 20 30 EHEDMO N#CCCOCC[N@@H+]1CCC[C@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000602931823 1033258320 /nfs/dbraw/zinc/25/83/20/1033258320.db2.gz UBCSHECXCKKQRO-HNNXBMFYSA-N 1 1 330.325 3.912 20 30 EHEDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000515231927 1025098985 /nfs/dbraw/zinc/09/89/85/1025098985.db2.gz XYIJWGFMKRXDMJ-OAHLLOKOSA-N 1 1 341.480 3.820 20 30 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328.500 3.862 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c(C(F)(F)F)c1 ZINC000602997896 1033296864 /nfs/dbraw/zinc/29/68/64/1033296864.db2.gz TVWMPARCTUXXLE-PVAVHDDUSA-N 1 1 338.373 3.702 20 30 EHEDMO CC[N@H+](Cc1ccccc1Br)C[C@H](O)CC(C)(C)C#N ZINC000598588257 1033314672 /nfs/dbraw/zinc/31/46/72/1033314672.db2.gz ZXSXDBNQCYQTDB-CQSZACIVSA-N 1 1 339.277 3.572 20 30 EHEDMO C[C@@H](C[N@@H+](C)CC(=O)Nc1ccccc1SCC#N)C(C)(C)C ZINC000603053283 1033327016 /nfs/dbraw/zinc/32/70/16/1033327016.db2.gz AAYGAVTUTMXCRL-AWEZNQCLSA-N 1 1 333.501 3.855 20 30 EHEDMO COc1ccccc1[C@H]1CCC[C@@H](C)[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598616243 1033328901 /nfs/dbraw/zinc/32/89/01/1033328901.db2.gz KXTMFZUMZZEDFF-SOLBZPMBSA-N 1 1 330.472 3.911 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1OC ZINC000685464869 1033361922 /nfs/dbraw/zinc/36/19/22/1033361922.db2.gz QRIOFRYXBOHBKL-HKUYNNGSSA-N 1 1 345.483 3.899 20 30 EHEDMO C=CCC1(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CCCC1 ZINC000449924073 1033433609 /nfs/dbraw/zinc/43/36/09/1033433609.db2.gz HAZLINXKGZKICB-UHFFFAOYSA-N 1 1 327.472 3.612 20 30 EHEDMO Cc1[nH+]cn(CCCCc2noc(-c3cccc(CC#N)c3)n2)c1C ZINC000594533639 1033435505 /nfs/dbraw/zinc/43/55/05/1033435505.db2.gz DBNPXCMFCPAAAK-UHFFFAOYSA-N 1 1 335.411 3.639 20 30 EHEDMO CN1Cc2ccccc2[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1=O ZINC000598942798 1033584326 /nfs/dbraw/zinc/58/43/26/1033584326.db2.gz NVIOAZLSYBIJSK-RTWAWAEBSA-N 1 1 345.446 3.629 20 30 EHEDMO CC(C)(C)[N@@H+]1CC[C@H]1CNCc1ccc(C#N)cc1C(F)(F)F ZINC000594965203 1033603583 /nfs/dbraw/zinc/60/35/83/1033603583.db2.gz RQSJBIXVGZZHBQ-AWEZNQCLSA-N 1 1 325.378 3.539 20 30 EHEDMO CC(C)(C)[N@H+]1CC[C@H]1CNCc1ccc(C#N)cc1C(F)(F)F ZINC000594965203 1033603591 /nfs/dbraw/zinc/60/35/91/1033603591.db2.gz RQSJBIXVGZZHBQ-AWEZNQCLSA-N 1 1 325.378 3.539 20 30 EHEDMO COc1cccc(OC)c1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000594968530 1033606082 /nfs/dbraw/zinc/60/60/82/1033606082.db2.gz RGDAMHGKDAPYLC-UHFFFAOYSA-N 1 1 340.423 3.676 20 30 EHEDMO C=CCOc1ccc(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc1 ZINC000063771458 1033681969 /nfs/dbraw/zinc/68/19/69/1033681969.db2.gz APPJMOJMNBQNLV-UHFFFAOYSA-N 1 1 330.472 3.588 20 30 EHEDMO N#Cc1ccc(CC[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000595293370 1033720304 /nfs/dbraw/zinc/72/03/04/1033720304.db2.gz LVSRMUVTSMLKHC-IBGZPJMESA-N 1 1 326.827 3.828 20 30 EHEDMO N#Cc1ccc(CC[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000595293370 1033720324 /nfs/dbraw/zinc/72/03/24/1033720324.db2.gz LVSRMUVTSMLKHC-IBGZPJMESA-N 1 1 326.827 3.828 20 30 EHEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595332529 1033733272 /nfs/dbraw/zinc/73/32/72/1033733272.db2.gz JVQVFEJFLRXCGE-CMJOXMDJSA-N 1 1 326.465 3.531 20 30 EHEDMO CC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000592998656 1033789626 /nfs/dbraw/zinc/78/96/26/1033789626.db2.gz DRLZGZIYDMLDCP-AWEZNQCLSA-N 1 1 334.379 3.921 20 30 EHEDMO CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000592998656 1033789638 /nfs/dbraw/zinc/78/96/38/1033789638.db2.gz DRLZGZIYDMLDCP-AWEZNQCLSA-N 1 1 334.379 3.921 20 30 EHEDMO Cc1ccc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1C#N ZINC000599307548 1033855602 /nfs/dbraw/zinc/85/56/02/1033855602.db2.gz KIUHALMWLWANIM-WNSKOXEYSA-N 1 1 326.465 3.797 20 30 EHEDMO C=CCC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCCC1 ZINC000450185449 1033863306 /nfs/dbraw/zinc/86/33/06/1033863306.db2.gz SFUGFMNLRNVBFF-IEBWSBKVSA-N 1 1 330.516 3.988 20 30 EHEDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCCSCC#N ZINC000084131276 1033906507 /nfs/dbraw/zinc/90/65/07/1033906507.db2.gz ZISIYVCIEDWIGB-KRWDZBQOSA-N 1 1 328.485 3.840 20 30 EHEDMO N#Cc1sccc1N1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000595631280 1033908820 /nfs/dbraw/zinc/90/88/20/1033908820.db2.gz DBYNNDZAVIGYOL-UHFFFAOYSA-N 1 1 349.406 3.543 20 30 EHEDMO N#CC[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000595611959 1033924407 /nfs/dbraw/zinc/92/44/07/1033924407.db2.gz QMLZVBTVWSTBNC-FQEVSTJZSA-N 1 1 347.462 3.845 20 30 EHEDMO N#CC[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000595611959 1033924419 /nfs/dbraw/zinc/92/44/19/1033924419.db2.gz QMLZVBTVWSTBNC-FQEVSTJZSA-N 1 1 347.462 3.845 20 30 EHEDMO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1C#N ZINC000599440437 1033927822 /nfs/dbraw/zinc/92/78/22/1033927822.db2.gz UNUXNKRRQQDWFS-RTBURBONSA-N 1 1 326.827 3.828 20 30 EHEDMO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1C#N ZINC000599440437 1033927844 /nfs/dbraw/zinc/92/78/44/1033927844.db2.gz UNUXNKRRQQDWFS-RTBURBONSA-N 1 1 326.827 3.828 20 30 EHEDMO Cc1cccc(C)c1[C@H]1CCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599471108 1033944602 /nfs/dbraw/zinc/94/46/02/1033944602.db2.gz ZSWCAJYNLSRQEV-RBUKOAKNSA-N 1 1 342.483 3.512 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599513335 1033973863 /nfs/dbraw/zinc/97/38/63/1033973863.db2.gz SBBDNLWWRSLOEF-OWCLPIDISA-N 1 1 349.425 3.545 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599513335 1033973878 /nfs/dbraw/zinc/97/38/78/1033973878.db2.gz SBBDNLWWRSLOEF-OWCLPIDISA-N 1 1 349.425 3.545 20 30 EHEDMO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000174566274 1033977401 /nfs/dbraw/zinc/97/74/01/1033977401.db2.gz SDCHMYSKFADJMX-UONOGXRCSA-N 1 1 328.387 3.976 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C3CCC3)C2)c(C#N)c1C ZINC000595837188 1034001672 /nfs/dbraw/zinc/00/16/72/1034001672.db2.gz OVKKNAWAUHNSMI-XJKSGUPXSA-N 1 1 329.444 3.607 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C3CCC3)C2)c(C#N)c1C ZINC000595837188 1034001687 /nfs/dbraw/zinc/00/16/87/1034001687.db2.gz OVKKNAWAUHNSMI-XJKSGUPXSA-N 1 1 329.444 3.607 20 30 EHEDMO C[C@@]1(C#N)CC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000595839227 1034005805 /nfs/dbraw/zinc/00/58/05/1034005805.db2.gz CZWWJFFFZKTOBZ-NRFANRHFSA-N 1 1 333.435 3.918 20 30 EHEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(c3ccon3)CC2)c1 ZINC000595828078 1034013730 /nfs/dbraw/zinc/01/37/30/1034013730.db2.gz IEVCCFRMZAQFAV-UHFFFAOYSA-N 1 1 346.228 3.688 20 30 EHEDMO C[C@@H]1CCN(c2nc(C#N)c(Cl)s2)CC[N@H+]1Cc1ccccc1 ZINC000596144552 1034090225 /nfs/dbraw/zinc/09/02/25/1034090225.db2.gz INGYJEJGJDEKKS-CYBMUJFWSA-N 1 1 346.887 3.769 20 30 EHEDMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCc3c(CC#N)cccc3C2)c1C ZINC000599686533 1034115181 /nfs/dbraw/zinc/11/51/81/1034115181.db2.gz SXTVYVKUQHYBOT-QGZVFWFLSA-N 1 1 347.462 3.755 20 30 EHEDMO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCc3c(CC#N)cccc3C2)c1C ZINC000599686533 1034115190 /nfs/dbraw/zinc/11/51/90/1034115190.db2.gz SXTVYVKUQHYBOT-QGZVFWFLSA-N 1 1 347.462 3.755 20 30 EHEDMO Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc(C#N)c1[N+](=O)[O-] ZINC000596178626 1034120558 /nfs/dbraw/zinc/12/05/58/1034120558.db2.gz MCPHVXVKWQDRCC-IEBWSBKVSA-N 1 1 336.395 3.632 20 30 EHEDMO C=CC[N@H+](CCCc1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211343 1034120802 /nfs/dbraw/zinc/12/08/02/1034120802.db2.gz RMNWZZXDXLENEX-SFHVURJKSA-N 1 1 347.466 3.844 20 30 EHEDMO CCc1nc(C#N)cc(S[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000596275906 1034140581 /nfs/dbraw/zinc/14/05/81/1034140581.db2.gz ZXCCVYAFMYGSNP-QGZVFWFLSA-N 1 1 338.480 3.667 20 30 EHEDMO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165157 1034323110 /nfs/dbraw/zinc/32/31/10/1034323110.db2.gz JGKYILTYBCDFEO-NQIIRXRSSA-N 1 1 344.499 3.658 20 30 EHEDMO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165157 1034323123 /nfs/dbraw/zinc/32/31/23/1034323123.db2.gz JGKYILTYBCDFEO-NQIIRXRSSA-N 1 1 344.499 3.658 20 30 EHEDMO N#CC1(c2ccc(C[N@H+](CCO)[C@@H]3CCc4ccccc43)cc2)CC1 ZINC000597010316 1034491214 /nfs/dbraw/zinc/49/12/14/1034491214.db2.gz MUAKNRVCKLJMNY-OAQYLSRUSA-N 1 1 332.447 3.724 20 30 EHEDMO C=C(C)C[N@H+](CC)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000061758562 1034503300 /nfs/dbraw/zinc/50/33/00/1034503300.db2.gz CCLJGUUKYFDNIC-UHFFFAOYSA-N 1 1 329.271 3.850 20 30 EHEDMO C=CCC1(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)CCCC1 ZINC000450551402 1034531274 /nfs/dbraw/zinc/53/12/74/1034531274.db2.gz ZZTYNWOKOKSZOU-UHFFFAOYSA-N 1 1 333.501 3.985 20 30 EHEDMO C=CCC1(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCCC1 ZINC000450551402 1034531284 /nfs/dbraw/zinc/53/12/84/1034531284.db2.gz ZZTYNWOKOKSZOU-UHFFFAOYSA-N 1 1 333.501 3.985 20 30 EHEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccccc1C(F)(F)F ZINC000060467930 1034573975 /nfs/dbraw/zinc/57/39/75/1034573975.db2.gz YKIGKMPPZVVAGM-KRWDZBQOSA-N 1 1 334.341 3.742 20 30 EHEDMO Cc1cccn2cc(COc3ccc(C[NH+]4CC(CC#N)C4)cc3)nc12 ZINC000597194638 1034580080 /nfs/dbraw/zinc/58/00/80/1034580080.db2.gz UWQVJHIVUWOJMZ-UHFFFAOYSA-N 1 1 346.434 3.567 20 30 EHEDMO Cn1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(-c2cc3ccccc3o2)n1 ZINC000597173327 1034582021 /nfs/dbraw/zinc/58/20/21/1034582021.db2.gz ISAVBWSKKWHYQL-OAHLLOKOSA-N 1 1 334.423 3.959 20 30 EHEDMO N#CC[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000597175091 1034582658 /nfs/dbraw/zinc/58/26/58/1034582658.db2.gz WAFZPPGHXKVVDC-OAHLLOKOSA-N 1 1 328.847 3.710 20 30 EHEDMO N#CC[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000597175091 1034582669 /nfs/dbraw/zinc/58/26/69/1034582669.db2.gz WAFZPPGHXKVVDC-OAHLLOKOSA-N 1 1 328.847 3.710 20 30 EHEDMO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597174347 1034583017 /nfs/dbraw/zinc/58/30/17/1034583017.db2.gz PGKKOZXXLLTRIS-HNNXBMFYSA-N 1 1 328.847 3.960 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000534477510 1034600688 /nfs/dbraw/zinc/60/06/88/1034600688.db2.gz OODBYSVLGOPLSQ-KRWDZBQOSA-N 1 1 332.488 3.719 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000534477510 1034600695 /nfs/dbraw/zinc/60/06/95/1034600695.db2.gz OODBYSVLGOPLSQ-KRWDZBQOSA-N 1 1 332.488 3.719 20 30 EHEDMO C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000450643047 1034610412 /nfs/dbraw/zinc/61/04/12/1034610412.db2.gz CZVJLWSOTPGCON-JTSKRJEESA-N 1 1 332.447 3.812 20 30 EHEDMO COc1ccc(C[N@@H+](Cc2cccc(C#N)c2)[C@H](CO)C(C)C)cc1 ZINC000179925699 1035043842 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C[C@@H]1CCSCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000429779835 1035518021 /nfs/dbraw/zinc/51/80/21/1035518021.db2.gz AWKOAGUHFIYZGA-OAHLLOKOSA-N 1 1 341.480 3.565 20 30 EHEDMO C[C@@H]1CCSCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000429779835 1035518026 /nfs/dbraw/zinc/51/80/26/1035518026.db2.gz AWKOAGUHFIYZGA-OAHLLOKOSA-N 1 1 341.480 3.565 20 30 EHEDMO C[N@@H+](CCc1cccc2ccccc21)CC(=O)NC1(C#N)CCCCC1 ZINC000507291646 1035672685 /nfs/dbraw/zinc/67/26/85/1035672685.db2.gz IRXMTROPUXQSHF-UHFFFAOYSA-N 1 1 349.478 3.657 20 30 EHEDMO N#CCSCCC[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000173864318 1035680991 /nfs/dbraw/zinc/68/09/91/1035680991.db2.gz GQRINJKQDQYBFM-UHFFFAOYSA-N 1 1 339.508 3.604 20 30 EHEDMO C[C@@H](O)[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1F ZINC000571929924 1035866463 /nfs/dbraw/zinc/86/64/63/1035866463.db2.gz MCTJYAQWDQWOOU-QRWLVFNGSA-N 1 1 342.414 3.720 20 30 EHEDMO COc1cc(OC)c(OC)cc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000442684821 1035887967 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343.858 3.503 20 30 EHEDMO N#Cc1c(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)cn2ccccc12 ZINC000728919228 1039402723 /nfs/dbraw/zinc/40/27/23/1039402723.db2.gz WKEMPYHXONTQEZ-FGZHOGPDSA-N 1 1 345.446 3.899 20 30 EHEDMO Cc1cc(C[N@H+](C[C@H](O)COc2ccccc2)C(C)C)ccc1C#N ZINC000489048986 1039588365 /nfs/dbraw/zinc/58/83/65/1039588365.db2.gz XMCLJRHCXHMVTH-FQEVSTJZSA-N 1 1 338.451 3.517 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000345047496 1039594648 /nfs/dbraw/zinc/59/46/48/1039594648.db2.gz XNCQRZVGHWNDLM-LSDHHAIUSA-N 1 1 346.500 3.639 20 30 EHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccc(C(=O)OC)c1 ZINC000512542942 1039741956 /nfs/dbraw/zinc/74/19/56/1039741956.db2.gz XEUDAFJCFCEBGX-UHFFFAOYSA-N 1 1 341.455 3.829 20 30 EHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc(C(=O)OC)c1 ZINC000512542942 1039741968 /nfs/dbraw/zinc/74/19/68/1039741968.db2.gz XEUDAFJCFCEBGX-UHFFFAOYSA-N 1 1 341.455 3.829 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000028842559 1039756582 /nfs/dbraw/zinc/75/65/82/1039756582.db2.gz ADPNQOKRQKSYTL-UHFFFAOYSA-N 1 1 339.826 3.599 20 30 EHEDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000584763037 1039759449 /nfs/dbraw/zinc/75/94/49/1039759449.db2.gz OXNLZAXISFQNPX-CABCVRRESA-N 1 1 346.500 3.639 20 30 EHEDMO C[N@H+]1CC[C@H](Nc2cc(C#N)c3ccccc3n2)[C@H]1c1ccccc1 ZINC000485994553 1039768028 /nfs/dbraw/zinc/76/80/28/1039768028.db2.gz QVIVCXUYLOSMOL-PZJWPPBQSA-N 1 1 328.419 3.964 20 30 EHEDMO C=CCOc1cccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 ZINC000668572564 1039769903 /nfs/dbraw/zinc/76/99/03/1039769903.db2.gz FZBIFTOEMPEJOQ-RBBKRZOGSA-N 1 1 337.463 3.849 20 30 EHEDMO Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000554890910 1039891377 /nfs/dbraw/zinc/89/13/77/1039891377.db2.gz ZTCGXIKOXSMHIF-NDXORKPFSA-N 1 1 339.483 3.577 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@@H+](Cc2cccs2)C2CC2)cc1 ZINC000027109475 1039896758 /nfs/dbraw/zinc/89/67/58/1039896758.db2.gz VRHJYUGAMLEZIJ-UHFFFAOYSA-N 1 1 325.437 3.613 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480799654 1040027150 /nfs/dbraw/zinc/02/71/50/1040027150.db2.gz LSSBFOYRORTXTK-MRXNPFEDSA-N 1 1 332.513 3.917 20 30 EHEDMO CC(C)C(N)=[NH+]OCc1ncc(-c2cccc(Br)c2)o1 ZINC000128465762 1040046647 /nfs/dbraw/zinc/04/66/47/1040046647.db2.gz KEKQPOIZFIMOJB-UHFFFAOYSA-N 1 1 338.205 3.549 20 30 EHEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N[C@@H](C)CCC)C2)c1 ZINC000512547738 1040076016 /nfs/dbraw/zinc/07/60/16/1040076016.db2.gz RSMJXTAYFLCDLC-PKOBYXMFSA-N 1 1 344.499 3.768 20 30 EHEDMO CCC(C#N)(CC)C(=O)N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000907808871 1040198267 /nfs/dbraw/zinc/19/82/67/1040198267.db2.gz HMALYNFELBNORV-HNNXBMFYSA-N 1 1 342.487 3.761 20 30 EHEDMO C=CCC(C)(C)CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000489767175 1040199923 /nfs/dbraw/zinc/19/99/23/1040199923.db2.gz MLGSMXZCKQMBLV-IAGOWNOFSA-N 1 1 344.499 3.628 20 30 EHEDMO C[C@@H]1C[NH+](Cc2ccccc2NCC#Cc2ccccc2)C[C@@H](C)O1 ZINC000479467129 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328.456 3.651 20 30 EHEDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614176762 1040382607 /nfs/dbraw/zinc/38/26/07/1040382607.db2.gz FBSHWLQKFVGAQL-GOSISDBHSA-N 1 1 342.483 3.899 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2cnn(C3CCC3)c2)cc1 ZINC000899362570 1040386495 /nfs/dbraw/zinc/38/64/95/1040386495.db2.gz XJFXFCFGVPISIG-YHYXMXQVSA-N 1 1 332.407 3.998 20 30 EHEDMO N#CCCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)c1ccccc1 ZINC000908382502 1040426101 /nfs/dbraw/zinc/42/61/01/1040426101.db2.gz JGYBUPHUKFASCT-FHWLQOOXSA-N 1 1 325.456 3.555 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000247162241 1040527756 /nfs/dbraw/zinc/52/77/56/1040527756.db2.gz OFKQSATZNDLCAM-BZUAXINKSA-N 1 1 345.512 3.997 20 30 EHEDMO C=C(CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000479713469 1040535068 /nfs/dbraw/zinc/53/50/68/1040535068.db2.gz SSKQXUTXROVKKR-SFHVURJKSA-N 1 1 329.488 3.654 20 30 EHEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ncc(Br)s1 ZINC000418144248 1040643637 /nfs/dbraw/zinc/64/36/37/1040643637.db2.gz KFWBOIMXFLOYSN-ZDUSSCGKSA-N 1 1 348.269 3.944 20 30 EHEDMO CC(C)[C@@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)CC[N@H+]1C ZINC000487082074 1040692699 /nfs/dbraw/zinc/69/26/99/1040692699.db2.gz BWZMYFVQYXSMNY-KRWDZBQOSA-N 1 1 328.847 3.536 20 30 EHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000411388397 1040809575 /nfs/dbraw/zinc/80/95/75/1040809575.db2.gz UNFSCECJXMMOLF-UZLBHIALSA-N 1 1 335.451 3.726 20 30 EHEDMO C[C@@H]([NH2+]CCCN(C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000192919127 1040938062 /nfs/dbraw/zinc/93/80/62/1040938062.db2.gz HABLAYZWTIPTRK-GOSISDBHSA-N 1 1 337.467 3.762 20 30 EHEDMO C=C(C)C[NH+]1CCC(N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433178418 1040991459 /nfs/dbraw/zinc/99/14/59/1040991459.db2.gz RWANVLUKFIWSIA-LJQANCHMSA-N 1 1 343.471 3.947 20 30 EHEDMO Cc1[nH+]ccn1CCCCNc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000078336351 1041021924 /nfs/dbraw/zinc/02/19/24/1041021924.db2.gz MFIFUYWBNWBOMC-UHFFFAOYSA-N 1 1 341.365 3.782 20 30 EHEDMO C=C(C)[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000481611505 1041139486 /nfs/dbraw/zinc/13/94/86/1041139486.db2.gz RYQPGHPPURGEHC-LPMFXHHGSA-N 1 1 336.426 3.961 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000481616557 1041151026 /nfs/dbraw/zinc/15/10/26/1041151026.db2.gz VHVHKDYYZDTBLM-KSSFIOAISA-N 1 1 336.426 3.985 20 30 EHEDMO CC[C@H](C[N@@H+](CC)[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000481682969 1041231158 /nfs/dbraw/zinc/23/11/58/1041231158.db2.gz BVIDWHDNDNRQTA-XLIONFOSSA-N 1 1 335.451 3.600 20 30 EHEDMO C[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000571253429 1041246242 /nfs/dbraw/zinc/24/62/42/1041246242.db2.gz ZEQDZCYUTGXRLZ-ZFWWWQNUSA-N 1 1 328.416 3.531 20 30 EHEDMO C=CCn1c(-c2cccnc2)nn(C[N@@H+](CC)C2CCCC2)c1=S ZINC000123986903 1041430936 /nfs/dbraw/zinc/43/09/36/1041430936.db2.gz RBUFDFQEILVLSD-UHFFFAOYSA-N 1 1 343.500 3.884 20 30 EHEDMO C=CCn1c(-c2cccnc2)nn(C[N@H+](CC)C2CCCC2)c1=S ZINC000123986903 1041430941 /nfs/dbraw/zinc/43/09/41/1041430941.db2.gz RBUFDFQEILVLSD-UHFFFAOYSA-N 1 1 343.500 3.884 20 30 EHEDMO CC(C)(C)C[N@H+](CCC#N)CCCc1nc(-c2cccs2)no1 ZINC000109812262 1041502497 /nfs/dbraw/zinc/50/24/97/1041502497.db2.gz IXXBRLHEAFRCPS-UHFFFAOYSA-N 1 1 332.473 3.992 20 30 EHEDMO COc1cccc(/C=N/CC(C)(C)[N@H+]2CCc3ccccc3C2)c1O ZINC000026432275 1041718599 /nfs/dbraw/zinc/71/85/99/1041718599.db2.gz ZZGOZGDKHLPANT-LPYMAVHISA-N 1 1 338.451 3.657 20 30 EHEDMO CC(C)(CNCc1cccc(OCCCC#N)c1)[NH+]1CCCCC1 ZINC000236736742 1042231991 /nfs/dbraw/zinc/23/19/91/1042231991.db2.gz LDCVCUIXOCKPQZ-UHFFFAOYSA-N 1 1 329.488 3.723 20 30 EHEDMO OC[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CC[C@@H]1c1ccccc1 ZINC000661664902 1042246321 /nfs/dbraw/zinc/24/63/21/1042246321.db2.gz FGBBJRVCNUKDHW-PZJWPPBQSA-N 1 1 339.866 3.790 20 30 EHEDMO C=CC[N@@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)C(C)(C)C ZINC000661760734 1042312775 /nfs/dbraw/zinc/31/27/75/1042312775.db2.gz YGXAEWIJHLSDDQ-KRWDZBQOSA-N 1 1 343.496 3.635 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(Br)cc1 ZINC000662084119 1042502896 /nfs/dbraw/zinc/50/28/96/1042502896.db2.gz MXRJKGUSCFQAME-GASCZTMLSA-N 1 1 335.245 3.571 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N(CC)Cc1ccccc1 ZINC000065959661 1042768098 /nfs/dbraw/zinc/76/80/98/1042768098.db2.gz DMXLCTBCNLZEKW-UHFFFAOYSA-N 1 1 336.479 3.766 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N(CC)Cc1ccccc1 ZINC000065959661 1042768103 /nfs/dbraw/zinc/76/81/03/1042768103.db2.gz DMXLCTBCNLZEKW-UHFFFAOYSA-N 1 1 336.479 3.766 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)c(Br)c1 ZINC000350990969 1043113646 /nfs/dbraw/zinc/11/36/46/1043113646.db2.gz OITSODNZPGGRNR-KRWDZBQOSA-N 1 1 349.272 3.713 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@H]2CC=CCC2)c1C ZINC000344032845 1043141352 /nfs/dbraw/zinc/14/13/52/1043141352.db2.gz DXIBFUGMMJTBIQ-IBGZPJMESA-N 1 1 339.483 3.838 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000344203608 1043421056 /nfs/dbraw/zinc/42/10/56/1043421056.db2.gz FFUOFRMBHMUHQJ-SJORKVTESA-N 1 1 327.472 3.690 20 30 EHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccccc1OC(F)F ZINC000512169648 1043574257 /nfs/dbraw/zinc/57/42/57/1043574257.db2.gz PFCKXTVFGQKOAW-UHFFFAOYSA-N 1 1 337.366 3.952 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1OC(F)F ZINC000512169648 1043574263 /nfs/dbraw/zinc/57/42/63/1043574263.db2.gz PFCKXTVFGQKOAW-UHFFFAOYSA-N 1 1 337.366 3.952 20 30 EHEDMO CCC1(CC)CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279379057 1044023361 /nfs/dbraw/zinc/02/33/61/1044023361.db2.gz JXMFNTMRXLMTNV-UHFFFAOYSA-N 1 1 337.471 3.871 20 30 EHEDMO C[N@@H+](CCc1ccccc1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279409253 1044052125 /nfs/dbraw/zinc/05/21/25/1044052125.db2.gz NKTXPYSEMNVDDH-UHFFFAOYSA-N 1 1 345.450 3.533 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1 ZINC000076153543 1125542356 /nfs/dbraw/zinc/54/23/56/1125542356.db2.gz JZXJMQNNYMRXGX-VQTJNVASSA-N 1 1 333.435 3.787 20 30 EHEDMO CN(CC#Cc1ccc(F)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000154162678 1125698779 /nfs/dbraw/zinc/69/87/79/1125698779.db2.gz OMKDRVUFJSLVNW-NRFANRHFSA-N 1 1 336.454 3.631 20 30 EHEDMO C#CCC(C)(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000185140330 1126771581 /nfs/dbraw/zinc/77/15/81/1126771581.db2.gz HYDSVUCOXAIODN-KRWDZBQOSA-N 1 1 326.484 3.727 20 30 EHEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000325019390 1126798049 /nfs/dbraw/zinc/79/80/49/1126798049.db2.gz HXSQOJJIKRWDJC-KDOFPFPSSA-N 1 1 344.842 3.644 20 30 EHEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000072697764 1126856645 /nfs/dbraw/zinc/85/66/45/1126856645.db2.gz XMBWZGUMCXAVOS-OWCLPIDISA-N 1 1 345.512 3.997 20 30 EHEDMO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1OC ZINC000623452387 1126958748 /nfs/dbraw/zinc/95/87/48/1126958748.db2.gz BGVHARUSPRCVAZ-OAHLLOKOSA-N 1 1 347.846 3.804 20 30 EHEDMO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1OC ZINC000623452387 1126958751 /nfs/dbraw/zinc/95/87/51/1126958751.db2.gz BGVHARUSPRCVAZ-OAHLLOKOSA-N 1 1 347.846 3.804 20 30 EHEDMO C[C@H](NCC#Cc1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185700152 1126987185 /nfs/dbraw/zinc/98/71/85/1126987185.db2.gz KOVHOQWBNSGUQF-WMZOPIPTSA-N 1 1 330.903 3.934 20 30 EHEDMO O=[N+]([O-])c1ccccc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177715284 1126987920 /nfs/dbraw/zinc/98/79/20/1126987920.db2.gz WZYCALJRLSQMHB-UHFFFAOYSA-N 1 1 334.297 3.755 20 30 EHEDMO C=C[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000180139229 1127125554 /nfs/dbraw/zinc/12/55/54/1127125554.db2.gz JOHGDZHYOGLGKA-AGHHOFFYSA-N 1 1 334.463 3.908 20 30 EHEDMO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@@H](C)C#N)c1 ZINC000183836869 1127388471 /nfs/dbraw/zinc/38/84/71/1127388471.db2.gz LBFOTCZRLGZCNC-AWEZNQCLSA-N 1 1 326.444 3.563 20 30 EHEDMO CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000108359029 1128130874 /nfs/dbraw/zinc/13/08/74/1128130874.db2.gz XQGZZQIPIMLKCD-JKSUJKDBSA-N 1 1 345.512 3.999 20 30 EHEDMO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000108359029 1128130876 /nfs/dbraw/zinc/13/08/76/1128130876.db2.gz XQGZZQIPIMLKCD-JKSUJKDBSA-N 1 1 345.512 3.999 20 30 EHEDMO C=CC(C)(C)CCNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000624463490 1128368658 /nfs/dbraw/zinc/36/86/58/1128368658.db2.gz LNLOJEDVHXOHDB-UHFFFAOYSA-N 1 1 331.460 3.545 20 30 EHEDMO N#Cc1cccnc1NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000301058661 1128570734 /nfs/dbraw/zinc/57/07/34/1128570734.db2.gz BFUIYMJCQNZVLE-INIZCTEOSA-N 1 1 344.821 3.995 20 30 EHEDMO C[C@@H](CNc1c(F)cc(C#N)cc1F)[N@@H+]1CCc2sccc2C1 ZINC000301077339 1128571665 /nfs/dbraw/zinc/57/16/65/1128571665.db2.gz DLQJLIBGOXBPPF-NSHDSACASA-N 1 1 333.407 3.757 20 30 EHEDMO C[C@@H](CNc1c(F)cc(C#N)cc1F)[N@H+]1CCc2sccc2C1 ZINC000301077339 1128571670 /nfs/dbraw/zinc/57/16/70/1128571670.db2.gz DLQJLIBGOXBPPF-NSHDSACASA-N 1 1 333.407 3.757 20 30 EHEDMO N#Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c2ccccc2n1 ZINC000301801810 1128606315 /nfs/dbraw/zinc/60/63/15/1128606315.db2.gz WJGCBSXTLCZAQV-MGPUTAFESA-N 1 1 332.451 3.560 20 30 EHEDMO C[N@@H+]1CC[C@@H](Nc2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301852431 1128608405 /nfs/dbraw/zinc/60/84/05/1128608405.db2.gz PYLGTZGHQRXSGH-WBVHZDCISA-N 1 1 330.794 3.603 20 30 EHEDMO C[N@H+]1CC[C@@H](Nc2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301852431 1128608407 /nfs/dbraw/zinc/60/84/07/1128608407.db2.gz PYLGTZGHQRXSGH-WBVHZDCISA-N 1 1 330.794 3.603 20 30 EHEDMO CC(C)C[N@H+]1CC[C@@H](CNc2ccc(Br)cc2C#N)C1 ZINC000302074185 1128618386 /nfs/dbraw/zinc/61/83/86/1128618386.db2.gz IDOJNGDKRGVXTE-ZDUSSCGKSA-N 1 1 336.277 3.711 20 30 EHEDMO CC[C@H]1CN(c2cc(C#N)ccc2C(C)=O)CC[N@H+]1Cc1ccccc1 ZINC000302150435 1128622782 /nfs/dbraw/zinc/62/27/82/1128622782.db2.gz KAGQKOIEADRUNK-FQEVSTJZSA-N 1 1 347.462 3.862 20 30 EHEDMO N#Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000302189730 1128624643 /nfs/dbraw/zinc/62/46/43/1128624643.db2.gz XYWVSZGQKAOSQN-KRWDZBQOSA-N 1 1 336.395 3.543 20 30 EHEDMO Cc1ccc(N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)nc1C#N ZINC000302622682 1128638866 /nfs/dbraw/zinc/63/88/66/1128638866.db2.gz FRNWFQVKFXLZHG-HNNXBMFYSA-N 1 1 340.858 3.798 20 30 EHEDMO N#Cc1cc2c(nc1NC[C@H]1CCC[N@H+]1Cc1ccccc1)CCC2 ZINC000358917250 1128650877 /nfs/dbraw/zinc/65/08/77/1128650877.db2.gz BTFRZOZWGDMYLY-LJQANCHMSA-N 1 1 332.451 3.518 20 30 EHEDMO CC[C@@H]1CN(c2c(C#N)cccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000302889757 1128653539 /nfs/dbraw/zinc/65/35/39/1128653539.db2.gz OZNTWGVYJRPPNY-HXUWFJFHSA-N 1 1 330.435 3.531 20 30 EHEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000303557158 1128682141 /nfs/dbraw/zinc/68/21/41/1128682141.db2.gz WKTATNVOMKELSS-FPOVZHCZSA-N 1 1 338.451 3.627 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(F)cc1C#N ZINC000303941396 1128709329 /nfs/dbraw/zinc/70/93/29/1128709329.db2.gz YOYOZCCOTKIBTL-QGZVFWFLSA-N 1 1 337.442 3.794 20 30 EHEDMO C[C@](CO)([NH2+]Cc1csc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000921746986 1128724048 /nfs/dbraw/zinc/72/40/48/1128724048.db2.gz QDIFXMZEIKXQBS-OAHLLOKOSA-N 1 1 340.370 3.636 20 30 EHEDMO N#Cc1cnc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000060372273 1128726741 /nfs/dbraw/zinc/72/67/41/1128726741.db2.gz FSPFOKNQERAVHG-INIZCTEOSA-N 1 1 326.831 3.683 20 30 EHEDMO CC[N@@H+](CC(=O)NC1CCC(C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477574 1128733167 /nfs/dbraw/zinc/73/31/67/1128733167.db2.gz YWFCZZFKXXNNBY-KOHRHEQBSA-N 1 1 327.472 3.636 20 30 EHEDMO Cc1[nH+]ccn1-c1ccccc1CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000338714755 1128740597 /nfs/dbraw/zinc/74/05/97/1128740597.db2.gz CVJFPQVPFJPODK-UHFFFAOYSA-N 1 1 333.351 3.573 20 30 EHEDMO C[C@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000109783193 1128750859 /nfs/dbraw/zinc/75/08/59/1128750859.db2.gz JAWKBRAOFUZJOD-GFCCVEGCSA-N 1 1 343.814 3.549 20 30 EHEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000109783193 1128750862 /nfs/dbraw/zinc/75/08/62/1128750862.db2.gz JAWKBRAOFUZJOD-GFCCVEGCSA-N 1 1 343.814 3.549 20 30 EHEDMO Cc1nc(C)c(C[NH2+]Cc2cc(C#N)ccc2Br)s1 ZINC000921783224 1128758133 /nfs/dbraw/zinc/75/81/33/1128758133.db2.gz PGPNLLWAFXPULW-UHFFFAOYSA-N 1 1 336.258 3.684 20 30 EHEDMO C[C@@H](NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000073615589 1128772920 /nfs/dbraw/zinc/77/29/20/1128772920.db2.gz LSCCIAIUSHSJOK-CQSZACIVSA-N 1 1 341.842 3.521 20 30 EHEDMO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000073615589 1128772923 /nfs/dbraw/zinc/77/29/23/1128772923.db2.gz LSCCIAIUSHSJOK-CQSZACIVSA-N 1 1 341.842 3.521 20 30 EHEDMO C=CC1CC[NH+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000111256858 1128856378 /nfs/dbraw/zinc/85/63/78/1128856378.db2.gz JWEUVPSILDFVEH-HNNXBMFYSA-N 1 1 343.496 3.775 20 30 EHEDMO Cc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000007844852 1128889272 /nfs/dbraw/zinc/88/92/72/1128889272.db2.gz RUCSZHAKEASMOS-UHFFFAOYSA-N 1 1 327.815 3.591 20 30 EHEDMO Cc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000007844852 1128889274 /nfs/dbraw/zinc/88/92/74/1128889274.db2.gz RUCSZHAKEASMOS-UHFFFAOYSA-N 1 1 327.815 3.591 20 30 EHEDMO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)s1 ZINC000076342363 1128915987 /nfs/dbraw/zinc/91/59/87/1128915987.db2.gz UMTVHKUHANESRC-GFCCVEGCSA-N 1 1 331.441 3.597 20 30 EHEDMO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)s1 ZINC000076342363 1128915991 /nfs/dbraw/zinc/91/59/91/1128915991.db2.gz UMTVHKUHANESRC-GFCCVEGCSA-N 1 1 331.441 3.597 20 30 EHEDMO CN(Cc1ccc(C#N)cc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310407276 1128941780 /nfs/dbraw/zinc/94/17/80/1128941780.db2.gz LUWNYUTXMYHMRL-IBGZPJMESA-N 1 1 339.870 3.918 20 30 EHEDMO N#Cc1cccc(OC2CC[NH+](Cc3ccnc(Cl)c3)CC2)c1 ZINC000171610787 1120889107 /nfs/dbraw/zinc/88/91/07/1120889107.db2.gz USQWBJBMMPEEMM-UHFFFAOYSA-N 1 1 327.815 3.650 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2scnc2C2CC2)CC1 ZINC000494929258 1120907920 /nfs/dbraw/zinc/90/79/20/1120907920.db2.gz HVJAGGGMIAKDRV-UHFFFAOYSA-N 1 1 338.480 3.604 20 30 EHEDMO C=CCC[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000250134795 1120955249 /nfs/dbraw/zinc/95/52/49/1120955249.db2.gz XXITXFHBZOPDQF-SLFFLAALSA-N 1 1 326.484 3.679 20 30 EHEDMO C=CCC[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000250134792 1120955293 /nfs/dbraw/zinc/95/52/93/1120955293.db2.gz XXITXFHBZOPDQF-HSALFYBXSA-N 1 1 326.484 3.679 20 30 EHEDMO COc1cc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)ccc1C#N ZINC000326187294 1120957558 /nfs/dbraw/zinc/95/75/58/1120957558.db2.gz OZJVGTPGPVPQHU-UHFFFAOYSA-N 1 1 341.842 3.542 20 30 EHEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@H](C)Cc1cccc(F)c1)C2 ZINC001168483970 1121029080 /nfs/dbraw/zinc/02/90/80/1121029080.db2.gz DEPWWNUSCPAEHB-JRGCBEDISA-N 1 1 347.474 3.830 20 30 EHEDMO CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000915218593 1121258894 /nfs/dbraw/zinc/25/88/94/1121258894.db2.gz YSUFUXKXQLGGDO-QZTJIDSGSA-N 1 1 327.472 3.752 20 30 EHEDMO Cc1nc(NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)ccc1C#N ZINC000487931869 1121272168 /nfs/dbraw/zinc/27/21/68/1121272168.db2.gz PVNLLQKOVKVLLD-INIZCTEOSA-N 1 1 334.467 3.670 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](CC(C)(C)CCC#N)C2)C1 ZINC000495736110 1121391157 /nfs/dbraw/zinc/39/11/57/1121391157.db2.gz FVNJJWKJVHCHEJ-IBGZPJMESA-N 1 1 335.492 3.649 20 30 EHEDMO N#Cc1ccc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000311120752 1128982340 /nfs/dbraw/zinc/98/23/40/1128982340.db2.gz HBIDSQLNGJEBEX-VXKWHMMOSA-N 1 1 331.463 3.512 20 30 EHEDMO N#Cc1ccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000311120752 1128982342 /nfs/dbraw/zinc/98/23/42/1128982342.db2.gz HBIDSQLNGJEBEX-VXKWHMMOSA-N 1 1 331.463 3.512 20 30 EHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000495771064 1121410626 /nfs/dbraw/zinc/41/06/26/1121410626.db2.gz QOLNPCSCIYCMLE-GOSISDBHSA-N 1 1 343.471 3.565 20 30 EHEDMO Cn1cc(C[N@@H+](C)C2Cc3ccccc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000272347236 1121536801 /nfs/dbraw/zinc/53/68/01/1121536801.db2.gz ZVLQNEGZLRLZBQ-UHFFFAOYSA-N 1 1 342.446 3.558 20 30 EHEDMO N#Cc1cnc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(Cl)c1 ZINC000487996553 1121566789 /nfs/dbraw/zinc/56/67/89/1121566789.db2.gz ZBEHNLQVLJGJAX-MRXNPFEDSA-N 1 1 340.858 3.583 20 30 EHEDMO CC[N@@H+](Cc1cc(C)c(C(=O)OC)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000193758701 1121620553 /nfs/dbraw/zinc/62/05/53/1121620553.db2.gz COQDQFGDHOIKMB-CQSZACIVSA-N 1 1 326.396 3.829 20 30 EHEDMO CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccc(F)c1 ZINC000139195754 1121951299 /nfs/dbraw/zinc/95/12/99/1121951299.db2.gz ZQGRQCGXQSJDLX-UHFFFAOYSA-N 1 1 345.805 3.811 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccc(F)c1 ZINC000139195754 1121951305 /nfs/dbraw/zinc/95/13/05/1121951305.db2.gz ZQGRQCGXQSJDLX-UHFFFAOYSA-N 1 1 345.805 3.811 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2OCc2ccncc2)c(F)c1 ZINC000609239454 1121967765 /nfs/dbraw/zinc/96/77/65/1121967765.db2.gz QAUMINGHXTZYLK-UHFFFAOYSA-N 1 1 347.393 3.961 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000032831990 1122142308 /nfs/dbraw/zinc/14/23/08/1122142308.db2.gz STKUWRRUKHGLIH-IERDGZPVSA-N 1 1 343.515 3.859 20 30 EHEDMO CC[N@@H+](Cc1cccc(Cl)c1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000154017147 1122172048 /nfs/dbraw/zinc/17/20/48/1122172048.db2.gz KWZYGJKEMQUUBF-KSSFIOAISA-N 1 1 335.879 3.605 20 30 EHEDMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCCC(C)(C)C#N ZINC000496828880 1122188090 /nfs/dbraw/zinc/18/80/90/1122188090.db2.gz PSGSLWKTCKXDJF-HNNXBMFYSA-N 1 1 329.444 3.966 20 30 EHEDMO Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000763409997 1122229965 /nfs/dbraw/zinc/22/99/65/1122229965.db2.gz WHQXXFOVQAFHPY-UNMCSNQZSA-N 1 1 334.463 3.855 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@]3(CCCc4ccccc43)C2)cc1 ZINC000763414667 1122232322 /nfs/dbraw/zinc/23/23/22/1122232322.db2.gz YOTKWGKHJHXEBX-XZOQPEGZSA-N 1 1 346.474 3.962 20 30 EHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000496987762 1122241314 /nfs/dbraw/zinc/24/13/14/1122241314.db2.gz UMYXQTPRXFRASV-JKSUJKDBSA-N 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1122665397 /nfs/dbraw/zinc/66/53/97/1122665397.db2.gz WFTSSWPNHYXXQT-LJQANCHMSA-N 1 1 343.515 3.896 20 30 EHEDMO C=CCOc1ccccc1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000498397767 1122906536 /nfs/dbraw/zinc/90/65/36/1122906536.db2.gz BGVUCEKMRNJPBD-HDICACEKSA-N 1 1 344.499 3.739 20 30 EHEDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000615229053 1122975917 /nfs/dbraw/zinc/97/59/17/1122975917.db2.gz AEDNAICLOCUFJM-HNNXBMFYSA-N 1 1 334.847 3.623 20 30 EHEDMO C=CCN(CC=C)C(=O)C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000071982588 1123030582 /nfs/dbraw/zinc/03/05/82/1123030582.db2.gz LPDLNICXCAVXQM-OAQYLSRUSA-N 1 1 338.426 3.705 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)nc1 ZINC000780555665 1123033479 /nfs/dbraw/zinc/03/34/79/1123033479.db2.gz QLWPREXMQHEKJX-UHFFFAOYSA-N 1 1 325.721 3.915 20 30 EHEDMO C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)C1=CC[N@@H+](C)CC1 ZINC000272798588 1123368668 /nfs/dbraw/zinc/36/86/68/1123368668.db2.gz UOCMJYILFZXDDD-MRXNPFEDSA-N 1 1 345.446 3.605 20 30 EHEDMO COc1cccc(/C=N\C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1O ZINC000921261652 1123500720 /nfs/dbraw/zinc/50/07/20/1123500720.db2.gz SHOJPKPBEKJBNO-GFHXCNCHSA-N 1 1 338.451 3.732 20 30 EHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000609540087 1123607732 /nfs/dbraw/zinc/60/77/32/1123607732.db2.gz PNRSPPBYMRGBTC-TZMCWYRMSA-N 1 1 343.814 3.621 20 30 EHEDMO C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000609548925 1123612194 /nfs/dbraw/zinc/61/21/94/1123612194.db2.gz LBKISPIULRJRHY-IBGZPJMESA-N 1 1 335.407 3.773 20 30 EHEDMO C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000609548925 1123612197 /nfs/dbraw/zinc/61/21/97/1123612197.db2.gz LBKISPIULRJRHY-IBGZPJMESA-N 1 1 335.407 3.773 20 30 EHEDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1cccc(OCCCC#N)c1 ZINC000237551678 1123768207 /nfs/dbraw/zinc/76/82/07/1123768207.db2.gz WWYANSKKGGANOZ-MSOLQXFVSA-N 1 1 329.488 3.579 20 30 EHEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NCc1cccc(OCCCC#N)c1 ZINC000237551678 1123768209 /nfs/dbraw/zinc/76/82/09/1123768209.db2.gz WWYANSKKGGANOZ-MSOLQXFVSA-N 1 1 329.488 3.579 20 30 EHEDMO C=CCN(Cc1ccccc1F)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000615672551 1123853511 /nfs/dbraw/zinc/85/35/11/1123853511.db2.gz ZDMQAXAYLKFVLM-DLBZAZTESA-N 1 1 347.478 3.644 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC000081596946 1123855009 /nfs/dbraw/zinc/85/50/09/1123855009.db2.gz WKUOVRUQPGNESB-MRXNPFEDSA-N 1 1 347.462 3.696 20 30 EHEDMO COCc1ccc([C@H]2CCC[N@H+]2CCCOc2ccc(C#N)cc2)o1 ZINC000130815848 1123913445 /nfs/dbraw/zinc/91/34/45/1123913445.db2.gz RLGPJJZUXJKAGU-LJQANCHMSA-N 1 1 340.423 3.904 20 30 EHEDMO N#CC1(c2ccc(C(=O)O[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000180054006 1123929210 /nfs/dbraw/zinc/92/92/10/1123929210.db2.gz USWVBZVGTMTISH-FQEVSTJZSA-N 1 1 346.430 3.673 20 30 EHEDMO COc1c(F)ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1F ZINC001212494650 1129155496 /nfs/dbraw/zinc/15/54/96/1129155496.db2.gz VEFUHSQUUZPFBF-UHFFFAOYSA-N 1 1 335.379 3.638 20 30 EHEDMO C[C@@H](Cc1ccsc1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000543057914 1129170796 /nfs/dbraw/zinc/17/07/96/1129170796.db2.gz NNEAXMOJPNHBTP-KRWDZBQOSA-N 1 1 339.508 3.759 20 30 EHEDMO CS[C@@H]1CCCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000247009137 1124577528 /nfs/dbraw/zinc/57/75/28/1124577528.db2.gz XIYLKLIQZYNNPA-FUHWJXTLSA-N 1 1 345.512 3.539 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(F)cc(OC(F)(F)F)c2)no1 ZINC001212325186 1124665109 /nfs/dbraw/zinc/66/51/09/1124665109.db2.gz LMYXMDHRHSGOIX-LBPRGKRZSA-N 1 1 343.280 3.578 20 30 EHEDMO CCN1C[C@H](C[N@@H+](C)CCCCC(C)(C)C#N)Oc2ccccc21 ZINC000618273388 1125033296 /nfs/dbraw/zinc/03/32/96/1125033296.db2.gz BTAWGONYEWUUKP-KRWDZBQOSA-N 1 1 329.488 3.926 20 30 EHEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000618546578 1125104905 /nfs/dbraw/zinc/10/49/05/1125104905.db2.gz BQMZRAPYNCCFMO-NRFANRHFSA-N 1 1 342.483 3.899 20 30 EHEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)C1 ZINC000619073474 1125272889 /nfs/dbraw/zinc/27/28/89/1125272889.db2.gz FELIGTLFWJLORH-DYESRHJHSA-N 1 1 349.482 3.871 20 30 EHEDMO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](c3cc(C)cc(C)c3)C2)c1=S ZINC000182793838 1125371536 /nfs/dbraw/zinc/37/15/36/1125371536.db2.gz CNPSBPDBZWBLHM-KRWDZBQOSA-N 1 1 342.512 3.972 20 30 EHEDMO C=CCn1c(C)nn(C[N@H+]2CC[C@H](c3cc(C)cc(C)c3)C2)c1=S ZINC000182793838 1125371539 /nfs/dbraw/zinc/37/15/39/1125371539.db2.gz CNPSBPDBZWBLHM-KRWDZBQOSA-N 1 1 342.512 3.972 20 30 EHEDMO C=CCCCOC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000735537241 1131356238 /nfs/dbraw/zinc/35/62/38/1131356238.db2.gz XOWBYLLPNNQABH-QGZVFWFLSA-N 1 1 341.373 3.950 20 30 EHEDMO C[C@H](CCN(C)C)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000066905650 1129221203 /nfs/dbraw/zinc/22/12/03/1129221203.db2.gz AWHONWAOHKPRBN-QGZVFWFLSA-N 1 1 337.467 3.567 20 30 EHEDMO N#Cc1ccc(F)c(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000115557740 1129274205 /nfs/dbraw/zinc/27/42/05/1129274205.db2.gz MSZYBTHLAXGAFQ-UHFFFAOYSA-N 1 1 328.362 3.880 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C(C)(C)C)C2)c1C ZINC000543249616 1129372710 /nfs/dbraw/zinc/37/27/10/1129372710.db2.gz LWICVYCGWYFETL-GOSISDBHSA-N 1 1 341.499 3.918 20 30 EHEDMO C=CC[C@@H](CC)NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000466378502 1129409771 /nfs/dbraw/zinc/40/97/71/1129409771.db2.gz NWNXPSALOSMLII-HXUWFJFHSA-N 1 1 343.515 3.895 20 30 EHEDMO CCC[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000466480093 1129484263 /nfs/dbraw/zinc/48/42/63/1129484263.db2.gz AGLXPTHUVOIIQW-IRXDYDNUSA-N 1 1 345.462 3.973 20 30 EHEDMO N#Cc1cc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1F ZINC000388492168 1129529978 /nfs/dbraw/zinc/52/99/78/1129529978.db2.gz ZYCBPGLMWVWFDI-TZIWHRDSSA-N 1 1 349.453 3.651 20 30 EHEDMO N#Cc1ccc(C[NH2+][C@H]2COc3ccc(F)cc32)c(C(F)(F)F)c1 ZINC000555103367 1129544211 /nfs/dbraw/zinc/54/42/11/1129544211.db2.gz FHGCZMAZBKRQDA-HNNXBMFYSA-N 1 1 336.288 3.939 20 30 EHEDMO C[C@@H]1[C@H](Nc2c(C#N)nnc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000388873408 1129547195 /nfs/dbraw/zinc/54/71/95/1129547195.db2.gz FZVBILAVOSCTED-CRAIPNDOSA-N 1 1 343.434 3.576 20 30 EHEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2cnc3ccc(C#N)cn23)c1 ZINC000093512837 1129591729 /nfs/dbraw/zinc/59/17/29/1129591729.db2.gz ADHDAQVWSRUCDF-HXUWFJFHSA-N 1 1 345.450 3.609 20 30 EHEDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093562977 1129594356 /nfs/dbraw/zinc/59/43/56/1129594356.db2.gz XUOAUWXXKYMDPS-WMZOPIPTSA-N 1 1 330.435 3.892 20 30 EHEDMO COc1ccc([C@H](C)[NH2+]Cc2cccc(F)c2C#N)c(C)c1OC ZINC000428944489 1129627744 /nfs/dbraw/zinc/62/77/44/1129627744.db2.gz TUKMOZDUTPERMV-ZDUSSCGKSA-N 1 1 328.387 3.874 20 30 EHEDMO N#Cc1cc(N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)nc2ccccc12 ZINC000330312064 1129633964 /nfs/dbraw/zinc/63/39/64/1129633964.db2.gz WCOGTGZBVFVRIF-MRXNPFEDSA-N 1 1 343.434 3.633 20 30 EHEDMO C=CCOc1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)cc1OC ZINC000922701601 1129636463 /nfs/dbraw/zinc/63/64/63/1129636463.db2.gz LUCOKHLQSXSULP-UHFFFAOYSA-N 1 1 344.480 3.885 20 30 EHEDMO CC(C)CC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CCCC1 ZINC000391684293 1129679415 /nfs/dbraw/zinc/67/94/15/1129679415.db2.gz ZTWBDNUHLJDQQB-LJQANCHMSA-N 1 1 330.472 3.589 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000156558756 1129724138 /nfs/dbraw/zinc/72/41/38/1129724138.db2.gz IQIHQOIOPURSCW-IRXDYDNUSA-N 1 1 342.464 3.716 20 30 EHEDMO Cc1cccc(OC[C@H](O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000058397099 1129942247 /nfs/dbraw/zinc/94/22/47/1129942247.db2.gz BCYAARWMEIYTNL-HXUWFJFHSA-N 1 1 338.451 3.517 20 30 EHEDMO C=CC[C@H]1CC[N@@H+](Cc2nc(COc3cc(C)cc(C)c3)no2)C1 ZINC000625703975 1129987044 /nfs/dbraw/zinc/98/70/44/1129987044.db2.gz MMQSNAKSZFSCKG-INIZCTEOSA-N 1 1 327.428 3.663 20 30 EHEDMO C=CC[C@H]1CC[N@H+](Cc2nc(COc3cc(C)cc(C)c3)no2)C1 ZINC000625703975 1129987047 /nfs/dbraw/zinc/98/70/47/1129987047.db2.gz MMQSNAKSZFSCKG-INIZCTEOSA-N 1 1 327.428 3.663 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(CNc2cc(C#N)c3ccccc3n2)cn1 ZINC000736285102 1131413428 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EHEDMO CCC1(CC)CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC001193430526 1135139176 /nfs/dbraw/zinc/13/91/76/1135139176.db2.gz MFEJCKKXYKKHBJ-UHFFFAOYSA-N 1 1 331.460 3.999 20 30 EHEDMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000775599332 1135139791 /nfs/dbraw/zinc/13/97/91/1135139791.db2.gz FRZITUWRWGCSJR-KRWDZBQOSA-N 1 1 343.471 3.587 20 30 EHEDMO CC[C@H](C#N)N(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001130442184 1135353351 /nfs/dbraw/zinc/35/33/51/1135353351.db2.gz CKLWDZAGMOEIGD-VAMGGRTRSA-N 1 1 341.499 3.541 20 30 EHEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[C@H]1c1ccccc1 ZINC001195022325 1135354032 /nfs/dbraw/zinc/35/40/32/1135354032.db2.gz LWUVBOSALJSOKF-PMACEKPBSA-N 1 1 333.435 3.765 20 30 EHEDMO CCOc1ccc(O)c(/C=N/[C@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000775630991 1135358196 /nfs/dbraw/zinc/35/81/96/1135358196.db2.gz OPMXKWBTSYRADP-WMRWHDLOSA-N 1 1 326.440 3.730 20 30 EHEDMO C[C@@H]1CN(Cc2ccc(Cl)cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC001195112264 1135370175 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C#Cc1ccc(NC(=O)CC[N@H+]2CCc3cc(F)ccc3[C@H]2C)cc1 ZINC001197495927 1135700438 /nfs/dbraw/zinc/70/04/38/1135700438.db2.gz IMXMOXXXIPJNFX-OAHLLOKOSA-N 1 1 336.410 3.755 20 30 EHEDMO CCC(CC)[N@@H+](CC)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000808781907 1135737261 /nfs/dbraw/zinc/73/72/61/1135737261.db2.gz WUJLRVUFZBHHFO-INIZCTEOSA-N 1 1 336.439 3.734 20 30 EHEDMO C#C[C@H]([NH2+]CC(=O)Nc1c(C(C)C)cccc1C(C)C)[C@@H]1CCCO1 ZINC000775794700 1135754717 /nfs/dbraw/zinc/75/47/17/1135754717.db2.gz JMKGBYPYFOGQAS-OALUTQOASA-N 1 1 342.483 3.642 20 30 EHEDMO C#CCCCCC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC000775821699 1135778690 /nfs/dbraw/zinc/77/86/90/1135778690.db2.gz GFFHDHVPEVAFEE-HXUWFJFHSA-N 1 1 326.484 3.693 20 30 EHEDMO C#CCOc1ccccc1-c1noc([C@@H](c2ccccc2)[N@@H+](C)CC)n1 ZINC000809396581 1135835543 /nfs/dbraw/zinc/83/55/43/1135835543.db2.gz ADAMHEUZRXJMGC-LJQANCHMSA-N 1 1 347.418 3.790 20 30 EHEDMO C#CCOc1ccccc1-c1noc([C@@H](c2ccccc2)[N@H+](C)CC)n1 ZINC000809396581 1135835548 /nfs/dbraw/zinc/83/55/48/1135835548.db2.gz ADAMHEUZRXJMGC-LJQANCHMSA-N 1 1 347.418 3.790 20 30 EHEDMO C#CC[NH+]1CCC(c2nc([C@H](c3ccccc3C)C(C)C)no2)CC1 ZINC000809512396 1135849552 /nfs/dbraw/zinc/84/95/52/1135849552.db2.gz YXSLAVGMOXZDOQ-IBGZPJMESA-N 1 1 337.467 3.979 20 30 EHEDMO Cc1ccccc1C=NOC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000809992212 1135909779 /nfs/dbraw/zinc/90/97/79/1135909779.db2.gz RXBFPUVGPBDIBH-OAQYLSRUSA-N 1 1 338.451 3.637 20 30 EHEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810077339 1135918337 /nfs/dbraw/zinc/91/83/37/1135918337.db2.gz GNAWSMPSNZHXGS-FQEVSTJZSA-N 1 1 345.462 3.509 20 30 EHEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)[C@H](O)c1c(Cl)cccc1Cl ZINC000810147985 1135931171 /nfs/dbraw/zinc/93/11/71/1135931171.db2.gz UIEXQFHABBTPPF-CLAHSXSESA-N 1 1 342.251 3.533 20 30 EHEDMO C[C@H](C(=O)OC1(CC#N)CCC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000810857235 1136018159 /nfs/dbraw/zinc/01/81/59/1136018159.db2.gz NSOXPDJXAIYGSO-QGZVFWFLSA-N 1 1 340.467 3.709 20 30 EHEDMO C=CCN1CC[C@@]2(C[N@@H+](CC(C)(C)C)C[C@@H]2c2ccccc2)C1=O ZINC001201435196 1136024251 /nfs/dbraw/zinc/02/42/51/1136024251.db2.gz PPHGSQDREKAILT-NQIIRXRSSA-N 1 1 326.484 3.537 20 30 EHEDMO CC[C@H](C)C[N@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001201510069 1136030476 /nfs/dbraw/zinc/03/04/76/1136030476.db2.gz WUNYNECPLKSTFS-RXVVDRJESA-N 1 1 341.499 3.523 20 30 EHEDMO CC[C@@H](C)C[N@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001201510068 1136030680 /nfs/dbraw/zinc/03/06/80/1136030680.db2.gz WUNYNECPLKSTFS-NQIIRXRSSA-N 1 1 341.499 3.523 20 30 EHEDMO CCC[N@H+]1CC[C@H](NC(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC001201572048 1136042559 /nfs/dbraw/zinc/04/25/59/1136042559.db2.gz OYWVLSIYPFVSJN-FQEVSTJZSA-N 1 1 347.462 3.692 20 30 EHEDMO CCCCCC[N@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001201754858 1136059561 /nfs/dbraw/zinc/05/95/61/1136059561.db2.gz JUOWBEQCMGEPBI-HXUWFJFHSA-N 1 1 325.456 3.567 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cccnc1 ZINC001201762371 1136060424 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3.741 20 30 EHEDMO CCCCCCCCC[N@@H+]1CCn2c(Br)nnc2C1 ZINC001201846764 1136070406 /nfs/dbraw/zinc/07/04/06/1136070406.db2.gz LAIDEROEXFWYMN-UHFFFAOYSA-N 1 1 329.286 3.607 20 30 EHEDMO CCCCCCCCC[N@H+]1CCn2c(Br)nnc2C1 ZINC001201846764 1136070410 /nfs/dbraw/zinc/07/04/10/1136070410.db2.gz LAIDEROEXFWYMN-UHFFFAOYSA-N 1 1 329.286 3.607 20 30 EHEDMO CCCCCCCCCC[N@H+]1CCOC2(CCN(C(C)=O)CC2)C1 ZINC001201875414 1136072290 /nfs/dbraw/zinc/07/22/90/1136072290.db2.gz YWUDKRGMFKDUCO-UHFFFAOYSA-N 1 1 338.536 3.840 20 30 EHEDMO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NCc1csc(C#N)c1 ZINC001202102841 1136094052 /nfs/dbraw/zinc/09/40/52/1136094052.db2.gz XWSLOQQSNQNKSH-IBGZPJMESA-N 1 1 327.497 3.866 20 30 EHEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NCc1csc(C#N)c1 ZINC001202102841 1136094055 /nfs/dbraw/zinc/09/40/55/1136094055.db2.gz XWSLOQQSNQNKSH-IBGZPJMESA-N 1 1 327.497 3.866 20 30 EHEDMO C=CCN(C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C(C)C ZINC000776264348 1136115659 /nfs/dbraw/zinc/11/56/59/1136115659.db2.gz MHTBGZAIDZVDKF-IBGZPJMESA-N 1 1 329.488 3.503 20 30 EHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC001170683078 1136233019 /nfs/dbraw/zinc/23/30/19/1136233019.db2.gz QWYSZNVGDAPTBB-HSZRJFAPSA-N 1 1 348.490 3.992 20 30 EHEDMO C#CCCCCCC[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001170703640 1136316672 /nfs/dbraw/zinc/31/66/72/1136316672.db2.gz ROZKTIPQMQDNTA-ROUUACIJSA-N 1 1 334.504 3.901 20 30 EHEDMO C#C[C@@](C)(CC)[NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000852101170 1136433722 /nfs/dbraw/zinc/43/37/22/1136433722.db2.gz NLYRXGRNNZTFEJ-IBGZPJMESA-N 1 1 337.448 3.955 20 30 EHEDMO C=CC[N@@H+](CCC(=O)OCc1ccccc1)Cc1cccc(C#N)c1 ZINC000776579571 1136444752 /nfs/dbraw/zinc/44/47/52/1136444752.db2.gz NNOWVHRLEIDZPX-UHFFFAOYSA-N 1 1 334.419 3.680 20 30 EHEDMO C=CCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852475501 1136458565 /nfs/dbraw/zinc/45/85/65/1136458565.db2.gz DSERXDVFZSTZBK-HZPDHXFCSA-N 1 1 346.437 3.998 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000852687325 1136478050 /nfs/dbraw/zinc/47/80/50/1136478050.db2.gz SQRDRKUWNUZHCQ-BXWFABGCSA-N 1 1 335.492 3.553 20 30 EHEDMO CN(C)c1ncnc(Cl)c1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000814660328 1136486648 /nfs/dbraw/zinc/48/66/48/1136486648.db2.gz TZLVBLIFYBJGCN-MRXNPFEDSA-N 1 1 343.862 3.721 20 30 EHEDMO CCCCCCCC[C@H](C)C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000852890714 1136492505 /nfs/dbraw/zinc/49/25/05/1136492505.db2.gz LLSNESFKBJJTQQ-PKOBYXMFSA-N 1 1 331.504 3.941 20 30 EHEDMO FC(F)(F)c1cccc(NNC2=C[C@H](C(F)(F)F)OCC2)[nH+]1 ZINC000814853903 1136519688 /nfs/dbraw/zinc/51/96/88/1136519688.db2.gz ZZBOQQMIYVPYFQ-SECBINFHSA-N 1 1 327.228 3.610 20 30 EHEDMO Cc1cc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cc(Cl)n1 ZINC001170769604 1136523071 /nfs/dbraw/zinc/52/30/71/1136523071.db2.gz SPCXLRRLMFEAAR-UHFFFAOYSA-N 1 1 329.831 3.564 20 30 EHEDMO C=CCC(F)(F)C(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000815086657 1136549532 /nfs/dbraw/zinc/54/95/32/1136549532.db2.gz NDSUUURAITUXGF-WBVHZDCISA-N 1 1 336.426 3.882 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(-c2noc(CC3(C#N)CCCCC3)n2)cn1 ZINC000854027582 1136580927 /nfs/dbraw/zinc/58/09/27/1136580927.db2.gz CLKGRUFTZCUYFJ-UHFFFAOYSA-N 1 1 348.410 3.642 20 30 EHEDMO N#Cc1ccc(F)c(COC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000815444258 1136595842 /nfs/dbraw/zinc/59/58/42/1136595842.db2.gz XQTHBSDPDKOHQK-SFHVURJKSA-N 1 1 330.403 3.538 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000776798602 1136671988 /nfs/dbraw/zinc/67/19/88/1136671988.db2.gz KZAOWDKNIPDNQX-YJBOKZPZSA-N 1 1 343.471 3.744 20 30 EHEDMO C=CCCO[C@H](C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000816468876 1136719767 /nfs/dbraw/zinc/71/97/67/1136719767.db2.gz OUZYAVRSKKJKKS-SCTDSRPQSA-N 1 1 331.456 3.564 20 30 EHEDMO C[C@H]1[C@@H](OC(=O)c2cc(C#N)cs2)CCC[N@H+]1Cc1ccccc1 ZINC000816470249 1136719833 /nfs/dbraw/zinc/71/98/33/1136719833.db2.gz KLFUESKMJSQPAN-YOEHRIQHSA-N 1 1 340.448 3.830 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)c1ccc(C#N)cc1 ZINC000816452776 1136722916 /nfs/dbraw/zinc/72/29/16/1136722916.db2.gz FYLLHNDWHAKSNG-JXFKEZNVSA-N 1 1 334.419 3.626 20 30 EHEDMO C[C@@H]1[C@@H](OC(=O)c2ccc(C#N)s2)CCC[N@H+]1Cc1ccccc1 ZINC000816470721 1136725212 /nfs/dbraw/zinc/72/52/12/1136725212.db2.gz RICLYBCHFOBGTK-PBHICJAKSA-N 1 1 340.448 3.830 20 30 EHEDMO C=CC[C@H](NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)c1ccncc1 ZINC000857127065 1136846039 /nfs/dbraw/zinc/84/60/39/1136846039.db2.gz MDAHVOMYXHUDSE-SFTDATJTSA-N 1 1 349.478 3.938 20 30 EHEDMO CC1CC[NH+](c2ccc(NC[C@H](O)c3ccc(C#N)cc3)cc2)CC1 ZINC000819395924 1136935546 /nfs/dbraw/zinc/93/55/46/1136935546.db2.gz VWITXCODYGNMNT-NRFANRHFSA-N 1 1 335.451 3.940 20 30 EHEDMO C[C@H](NN=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccncc1 ZINC000819817003 1136962092 /nfs/dbraw/zinc/96/20/92/1136962092.db2.gz UEPCVDFPIHOJHU-ORYQWCPZSA-N 1 1 334.467 3.915 20 30 EHEDMO CN(C)c1[nH+]cc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)n1C ZINC000821032895 1137014712 /nfs/dbraw/zinc/01/47/12/1137014712.db2.gz XFXVLUDWLSNJNX-AATRIKPKSA-N 1 1 329.787 3.782 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccns1 ZINC000860051807 1137042109 /nfs/dbraw/zinc/04/21/09/1137042109.db2.gz SBVIZNICWMYMDE-GFCCVEGCSA-N 1 1 333.482 3.711 20 30 EHEDMO N#CCc1cccc2c1CC[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)C2 ZINC000860107103 1137044590 /nfs/dbraw/zinc/04/45/90/1137044590.db2.gz AEIZVCSVVCIXJL-LJQANCHMSA-N 1 1 344.817 3.637 20 30 EHEDMO COCc1ccc2ccccc2c1NC(=[NH2+])c1ccc(C(=O)OC)cc1 ZINC001170983780 1137054615 /nfs/dbraw/zinc/05/46/15/1137054615.db2.gz FYAFKJTXFLBTDA-UHFFFAOYSA-N 1 1 348.402 3.810 20 30 EHEDMO COC(=O)c1ccc(C(=[NH2+])Nc2ccc(Oc3ccccc3)nc2)cc1 ZINC001170984584 1137055442 /nfs/dbraw/zinc/05/54/42/1137055442.db2.gz CHLMVOOGQLFGGC-UHFFFAOYSA-N 1 1 347.374 3.698 20 30 EHEDMO C#C[C@@H](C)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000860561203 1137066384 /nfs/dbraw/zinc/06/63/84/1137066384.db2.gz NTFAGTPYPMFPKS-KBAYOESNSA-N 1 1 339.460 3.529 20 30 EHEDMO Cc1cc(Br)ccc1-c1noc([C@H]([NH3+])CCCC#N)n1 ZINC000823069597 1137085941 /nfs/dbraw/zinc/08/59/41/1137085941.db2.gz QLJFILWZILYCCA-GFCCVEGCSA-N 1 1 335.205 3.501 20 30 EHEDMO C[N@H+]1CCCC[C@@H]1c1ccc(NC(=N)c2ccc3ccccc3n2)nc1 ZINC001171046190 1137125229 /nfs/dbraw/zinc/12/52/29/1137125229.db2.gz LMYZDVRASFDOHB-LJQANCHMSA-N 1 1 345.450 3.824 20 30 EHEDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000824843974 1137155758 /nfs/dbraw/zinc/15/57/58/1137155758.db2.gz ZMCAAKBYUIPPBW-UHFFFAOYSA-N 1 1 343.471 3.588 20 30 EHEDMO N#CCOc1ccc(Cl)cc1CO[NH+]=C(N)CCC(F)(F)F ZINC000863489639 1137188932 /nfs/dbraw/zinc/18/89/32/1137188932.db2.gz MJFFNEXGTDJPAV-UHFFFAOYSA-N 1 1 335.713 3.583 20 30 EHEDMO CN(Cc1c(Cl)cccc1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001143716104 1137191367 /nfs/dbraw/zinc/19/13/67/1137191367.db2.gz DKTQZDYQSDLQLN-GOSISDBHSA-N 1 1 339.870 3.918 20 30 EHEDMO N#Cc1cccc(Cl)c1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001143732944 1137193248 /nfs/dbraw/zinc/19/32/48/1137193248.db2.gz YVZYWXQXNJUCIW-IRXDYDNUSA-N 1 1 337.854 3.780 20 30 EHEDMO N#Cc1cccc(Cl)c1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001143732943 1137193346 /nfs/dbraw/zinc/19/33/46/1137193346.db2.gz YVZYWXQXNJUCIW-IAGOWNOFSA-N 1 1 337.854 3.780 20 30 EHEDMO C=CCn1ccc2c1nc[nH+]c2N[C@@H](C)c1cccc(C(=O)OC)c1 ZINC001171104192 1137198511 /nfs/dbraw/zinc/19/85/11/1137198511.db2.gz WXCMJPQWRMIGPC-ZDUSSCGKSA-N 1 1 336.395 3.577 20 30 EHEDMO CCC[N@@H+](Cc1ccccc1O)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844301862 1137210360 /nfs/dbraw/zinc/21/03/60/1137210360.db2.gz YEQRUKTUQHVROK-UHFFFAOYSA-N 1 1 325.368 3.584 20 30 EHEDMO CC(C)COc1ccccc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371424 1137213138 /nfs/dbraw/zinc/21/31/38/1137213138.db2.gz YNWABYWHKOXUHF-HXUWFJFHSA-N 1 1 338.451 3.758 20 30 EHEDMO CCc1nc(C(C)C)ccc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370813 1137213299 /nfs/dbraw/zinc/21/32/99/1137213299.db2.gz JUMLQDHEQBIISL-NRFANRHFSA-N 1 1 337.467 3.804 20 30 EHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)c1 ZINC000844371454 1137213661 /nfs/dbraw/zinc/21/36/61/1137213661.db2.gz MCBPZMDGYRSOGK-LJQANCHMSA-N 1 1 344.817 3.834 20 30 EHEDMO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844368777 1137215881 /nfs/dbraw/zinc/21/58/81/1137215881.db2.gz GWHCQDWURVHAPM-BBRMVZONSA-N 1 1 327.428 3.570 20 30 EHEDMO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844368777 1137215882 /nfs/dbraw/zinc/21/58/82/1137215882.db2.gz GWHCQDWURVHAPM-BBRMVZONSA-N 1 1 327.428 3.570 20 30 EHEDMO CC(C)(C)c1ccc(C[NH+]2CCN(Cc3cncc(C#N)c3)CC2)cc1 ZINC001144079509 1137236985 /nfs/dbraw/zinc/23/69/85/1137236985.db2.gz OYZYPRSXFPPSJJ-UHFFFAOYSA-N 1 1 348.494 3.569 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+](CC1CC1)CC1CCC1 ZINC000794712352 1137242585 /nfs/dbraw/zinc/24/25/85/1137242585.db2.gz XFBRSIMLUSEEQF-UHFFFAOYSA-N 1 1 335.455 3.595 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)nc1 ZINC001144163202 1137246783 /nfs/dbraw/zinc/24/67/83/1137246783.db2.gz UPZBLNZTXJNEQC-OAHLLOKOSA-N 1 1 331.341 3.962 20 30 EHEDMO C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000794827139 1137267774 /nfs/dbraw/zinc/26/77/74/1137267774.db2.gz ICLDHUZTTMJBHL-PZJWPPBQSA-N 1 1 348.490 3.871 20 30 EHEDMO C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000794827139 1137267775 /nfs/dbraw/zinc/26/77/75/1137267775.db2.gz ICLDHUZTTMJBHL-PZJWPPBQSA-N 1 1 348.490 3.871 20 30 EHEDMO CCc1[nH+]c(C)cn1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000865392339 1137279387 /nfs/dbraw/zinc/27/93/87/1137279387.db2.gz BJOUPTFPGDTQJD-AWEZNQCLSA-N 1 1 342.468 3.787 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC001171179319 1137290698 /nfs/dbraw/zinc/29/06/98/1137290698.db2.gz RINGHIFXGGNKOR-XMSQKQJNSA-N 1 1 333.479 3.601 20 30 EHEDMO CC(C)n1cc2c(n1)[C@H]([NH2+]Cc1cc(C#N)ccc1N(C)C)CCC2 ZINC000865525367 1137291622 /nfs/dbraw/zinc/29/16/22/1137291622.db2.gz ZBLZWLLCUIEJAH-GOSISDBHSA-N 1 1 337.471 3.569 20 30 EHEDMO C#Cc1ccc(CN2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)cc1 ZINC001144579085 1137310626 /nfs/dbraw/zinc/31/06/26/1137310626.db2.gz XPMNBRSANQNHIA-UHFFFAOYSA-N 1 1 336.454 3.903 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC001144568334 1137311286 /nfs/dbraw/zinc/31/12/86/1137311286.db2.gz RDQFGSFXHGJUER-SFHVURJKSA-N 1 1 328.456 3.547 20 30 EHEDMO C#Cc1ccc(C[N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001144568829 1137311349 /nfs/dbraw/zinc/31/13/49/1137311349.db2.gz FKGPKAUHSAYTDW-UHFFFAOYSA-N 1 1 342.483 3.747 20 30 EHEDMO C[N@H+](Cc1ccc(OCC2CC2)cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846005660 1137324630 /nfs/dbraw/zinc/32/46/30/1137324630.db2.gz BACPGVPAFLIRCX-OAQYLSRUSA-N 1 1 336.435 3.512 20 30 EHEDMO COC(C[N@@H+](Cc1ccccc1)[C@H](C)Cc1cccc(C#N)c1)OC ZINC001171204201 1137325108 /nfs/dbraw/zinc/32/51/08/1137325108.db2.gz UKTDUXMKQOOUDK-QGZVFWFLSA-N 1 1 338.451 3.610 20 30 EHEDMO CC(C)CCn1cccc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006239 1137325178 /nfs/dbraw/zinc/32/51/78/1137325178.db2.gz HMSVCDUAYXPALP-HXUWFJFHSA-N 1 1 325.456 3.571 20 30 EHEDMO CCCCOc1ccc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1 ZINC000846007608 1137325229 /nfs/dbraw/zinc/32/52/29/1137325229.db2.gz RCWTXOOFNNDVMU-NRFANRHFSA-N 1 1 338.451 3.903 20 30 EHEDMO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000846117307 1137333980 /nfs/dbraw/zinc/33/39/80/1137333980.db2.gz BWVSJAURXGXDKS-SFHVURJKSA-N 1 1 345.487 3.589 20 30 EHEDMO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000846117307 1137333982 /nfs/dbraw/zinc/33/39/82/1137333982.db2.gz BWVSJAURXGXDKS-SFHVURJKSA-N 1 1 345.487 3.589 20 30 EHEDMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1[N+](=O)[O-] ZINC000866304011 1137344104 /nfs/dbraw/zinc/34/41/04/1137344104.db2.gz YTLYUDMUOGRNPB-OLZOCXBDSA-N 1 1 325.368 3.892 20 30 EHEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2ccc(F)cc2C(F)(F)F)no1 ZINC000846773609 1137366531 /nfs/dbraw/zinc/36/65/31/1137366531.db2.gz OQPDYOQNPLRDDP-GFCCVEGCSA-N 1 1 342.296 3.978 20 30 EHEDMO C=CCCCCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC001171259395 1137379303 /nfs/dbraw/zinc/37/93/03/1137379303.db2.gz RJZQFQIOTOSDSN-FQEVSTJZSA-N 1 1 326.484 3.782 20 30 EHEDMO CCCCC[N@@H+](CCNC(=O)C1(C#N)CC(C)C1)Cc1ccccc1 ZINC001145013878 1137382004 /nfs/dbraw/zinc/38/20/04/1137382004.db2.gz RINVGCBUSHZTFW-UHFFFAOYSA-N 1 1 341.499 3.735 20 30 EHEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(OC)cc3OC)n2)C1 ZINC000847026377 1137383481 /nfs/dbraw/zinc/38/34/81/1137383481.db2.gz YHQJOGXFWSUQIG-CQSZACIVSA-N 1 1 342.464 3.673 20 30 EHEDMO C#C[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(OC)cc3OC)n2)C1 ZINC000847026377 1137383483 /nfs/dbraw/zinc/38/34/83/1137383483.db2.gz YHQJOGXFWSUQIG-CQSZACIVSA-N 1 1 342.464 3.673 20 30 EHEDMO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2csc(C)n2)ccc1OC ZINC000772980500 1137406595 /nfs/dbraw/zinc/40/65/95/1137406595.db2.gz QGLDPMINFONIKR-DOMZBBRYSA-N 1 1 345.468 3.992 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CC2CCC2)c1 ZINC000348196683 1137453933 /nfs/dbraw/zinc/45/39/33/1137453933.db2.gz HUQCAAUWIBIMHS-QGZVFWFLSA-N 1 1 327.472 3.671 20 30 EHEDMO C#CC[C@@H]([NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C)c1ccccc1 ZINC000773117266 1137466358 /nfs/dbraw/zinc/46/63/58/1137466358.db2.gz VBQPSVSPUJARFJ-OXJNMPFZSA-N 1 1 330.435 3.991 20 30 EHEDMO CC(C)c1[nH+]c(/C=C2/c3ccc(C#N)cc3NC2=O)c2ccccn21 ZINC000773160393 1137472049 /nfs/dbraw/zinc/47/20/49/1137472049.db2.gz LJAUFQOWVHQYFB-GDNBJRDFSA-N 1 1 328.375 3.822 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@H](C#N)C2)C[C@@H]1C(C)(C)C ZINC001171612200 1137500547 /nfs/dbraw/zinc/50/05/47/1137500547.db2.gz HCHYLCNVEBWTKN-OWCLPIDISA-N 1 1 335.492 3.646 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C1CCCC1)C1CCN(C)CC1 ZINC001172313386 1137546191 /nfs/dbraw/zinc/54/61/91/1137546191.db2.gz WEAQEEWKHATTMR-KRWDZBQOSA-N 1 1 325.500 3.828 20 30 EHEDMO CC(=O)c1ccc(C#N)cc1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000795179767 1137547883 /nfs/dbraw/zinc/54/78/83/1137547883.db2.gz NHHRRARVWPEMQV-LJQANCHMSA-N 1 1 333.435 3.695 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1(c2ccccc2Cl)COC1 ZINC001172297067 1137548811 /nfs/dbraw/zinc/54/88/11/1137548811.db2.gz AGDSROZPOYDGSO-AWEZNQCLSA-N 1 1 326.827 3.658 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001172359110 1137554439 /nfs/dbraw/zinc/55/44/39/1137554439.db2.gz UJOAXXAYOZGSNP-QRVBRYPASA-N 1 1 346.519 3.505 20 30 EHEDMO C[N@H+]1CC[C@@H](CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 ZINC000874006372 1137609052 /nfs/dbraw/zinc/60/90/52/1137609052.db2.gz LLQYJCRLGJBPLR-OXJNMPFZSA-N 1 1 333.435 3.622 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cc(C#N)cnc2Cl)C1 ZINC000876643211 1137657978 /nfs/dbraw/zinc/65/79/78/1137657978.db2.gz AGFRNYVIVKXPBW-JKSUJKDBSA-N 1 1 346.906 3.693 20 30 EHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 ZINC000876978121 1137666772 /nfs/dbraw/zinc/66/67/72/1137666772.db2.gz GZKSMBRLPIRBRJ-IAGOWNOFSA-N 1 1 345.805 3.756 20 30 EHEDMO C[C@@H](C[N@@H+](Cc1cc(C#N)cnc1Cl)[C@@H](C)CO)c1ccccc1 ZINC000877529933 1137680017 /nfs/dbraw/zinc/68/00/17/1137680017.db2.gz OJIFJAGOQWMQGO-GJZGRUSLSA-N 1 1 343.858 3.593 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000877901139 1137694713 /nfs/dbraw/zinc/69/47/13/1137694713.db2.gz HSKLKRRNXHARRB-IAGOWNOFSA-N 1 1 338.373 3.701 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000877901139 1137694714 /nfs/dbraw/zinc/69/47/14/1137694714.db2.gz HSKLKRRNXHARRB-IAGOWNOFSA-N 1 1 338.373 3.701 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+](Cc1ccccn1)C(C)C)c1ccccc1 ZINC000877976157 1137697994 /nfs/dbraw/zinc/69/79/94/1137697994.db2.gz LKMKMVLAKQPTIP-NRFANRHFSA-N 1 1 335.451 3.733 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@@H+](Cc1ccccn1)C(C)C)c1ccccc1 ZINC000877976157 1137697995 /nfs/dbraw/zinc/69/79/95/1137697995.db2.gz LKMKMVLAKQPTIP-NRFANRHFSA-N 1 1 335.451 3.733 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCS[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000878177990 1137705929 /nfs/dbraw/zinc/70/59/29/1137705929.db2.gz HLPCZPYVABJDJX-SLFFLAALSA-N 1 1 342.508 3.787 20 30 EHEDMO C=CCCC[C@@H](C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000878213558 1137707372 /nfs/dbraw/zinc/70/73/72/1137707372.db2.gz HHSIDJOFOQTUPW-FXAWDEMLSA-N 1 1 326.484 3.727 20 30 EHEDMO CC[N@H+]1CC[C@@H]1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000878218371 1137707615 /nfs/dbraw/zinc/70/76/15/1137707615.db2.gz OUNINWYVJRKSRZ-UXHICEINSA-N 1 1 348.450 3.558 20 30 EHEDMO C=CC(C)(C)CC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000878294678 1137710031 /nfs/dbraw/zinc/71/00/31/1137710031.db2.gz FOLRHZQULJLDIA-UHFFFAOYSA-N 1 1 326.484 3.638 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCc2c(F)cccc2C1)c1ccccc1 ZINC000878303005 1137710394 /nfs/dbraw/zinc/71/03/94/1137710394.db2.gz DKAZVDVNTPVYHL-NRFANRHFSA-N 1 1 336.410 3.624 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCc2c(F)cccc2C1)c1ccccc1 ZINC000878303005 1137710395 /nfs/dbraw/zinc/71/03/95/1137710395.db2.gz DKAZVDVNTPVYHL-NRFANRHFSA-N 1 1 336.410 3.624 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)C[C@H]2CCC[C@H](c3ccccc3)O2)n1 ZINC000878528200 1137719000 /nfs/dbraw/zinc/71/90/00/1137719000.db2.gz PMYHFFXGTLSCEV-NHCUHLMSSA-N 1 1 337.467 3.649 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H]2CCC[C@H](c3ccccc3)O2)n1 ZINC000878528200 1137719001 /nfs/dbraw/zinc/71/90/01/1137719001.db2.gz PMYHFFXGTLSCEV-NHCUHLMSSA-N 1 1 337.467 3.649 20 30 EHEDMO C[N@@H+](CCCOc1cccc(Cl)c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000127225063 1137721606 /nfs/dbraw/zinc/72/16/06/1137721606.db2.gz KIDNAUDXBWDLLJ-LJQANCHMSA-N 1 1 344.842 3.646 20 30 EHEDMO CC1(C)C[C@@H](C[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)C(C)(C)O1 ZINC000878887772 1137731031 /nfs/dbraw/zinc/73/10/31/1137731031.db2.gz HQSNIWGPNIUACJ-OXJNMPFZSA-N 1 1 327.472 3.532 20 30 EHEDMO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000879146032 1137739293 /nfs/dbraw/zinc/73/92/93/1137739293.db2.gz ZBHJENDOGTUFTD-IAQYHMDHSA-N 1 1 330.325 3.910 20 30 EHEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000879146032 1137739294 /nfs/dbraw/zinc/73/92/94/1137739294.db2.gz ZBHJENDOGTUFTD-IAQYHMDHSA-N 1 1 330.325 3.910 20 30 EHEDMO C[N@@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[C@@H]1C#N ZINC000879311791 1137744047 /nfs/dbraw/zinc/74/40/47/1137744047.db2.gz VOQZLNDRHZAWJB-SJORKVTESA-N 1 1 335.492 3.648 20 30 EHEDMO CC(C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000879759902 1137758279 /nfs/dbraw/zinc/75/82/79/1137758279.db2.gz IKGCTNNPMYFINP-UHFFFAOYSA-N 1 1 341.499 3.568 20 30 EHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880538234 1137780827 /nfs/dbraw/zinc/78/08/27/1137780827.db2.gz KAVHDVIUNSVFMM-JXFKEZNVSA-N 1 1 331.419 3.821 20 30 EHEDMO CCC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1O ZINC000130729942 1137841526 /nfs/dbraw/zinc/84/15/26/1137841526.db2.gz ANTBDRHRDAOFKI-UHFFFAOYSA-N 1 1 337.423 3.505 20 30 EHEDMO N#Cc1ccc(CNc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)s1 ZINC000883345585 1137856132 /nfs/dbraw/zinc/85/61/32/1137856132.db2.gz GKHUEPUSFDWXOF-KRWDZBQOSA-N 1 1 338.480 3.516 20 30 EHEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000007587908 1137891884 /nfs/dbraw/zinc/89/18/84/1137891884.db2.gz JZDXFCYHGFBZFH-RDJZCZTQSA-N 1 1 343.496 3.895 20 30 EHEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(OCC(F)(F)F)cc1 ZINC000112536065 1137908437 /nfs/dbraw/zinc/90/84/37/1137908437.db2.gz KCGAWUHEYOGASH-STQMWFEESA-N 1 1 325.334 3.722 20 30 EHEDMO O[C@H](C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC000117354220 1137930048 /nfs/dbraw/zinc/93/00/48/1137930048.db2.gz GRUQSZFYHDMKJP-LLVKDONJSA-N 1 1 345.258 3.676 20 30 EHEDMO O[C@H](C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC000117354220 1137930049 /nfs/dbraw/zinc/93/00/49/1137930049.db2.gz GRUQSZFYHDMKJP-LLVKDONJSA-N 1 1 345.258 3.676 20 30 EHEDMO C=CCCC[N@@H+](C)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000121085038 1137954949 /nfs/dbraw/zinc/95/49/49/1137954949.db2.gz GSLFSADJPFUCPW-UHFFFAOYSA-N 1 1 329.425 3.643 20 30 EHEDMO C=CCCC[N@H+](C)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000121085038 1137954950 /nfs/dbraw/zinc/95/49/50/1137954950.db2.gz GSLFSADJPFUCPW-UHFFFAOYSA-N 1 1 329.425 3.643 20 30 EHEDMO C#CC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000886359341 1138070690 /nfs/dbraw/zinc/07/06/90/1138070690.db2.gz ATCCCYBXNIOSPA-NEPJUHHUSA-N 1 1 325.239 3.666 20 30 EHEDMO C#CC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000886359341 1138070691 /nfs/dbraw/zinc/07/06/91/1138070691.db2.gz ATCCCYBXNIOSPA-NEPJUHHUSA-N 1 1 325.239 3.666 20 30 EHEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)C1 ZINC000886361840 1138070895 /nfs/dbraw/zinc/07/08/95/1138070895.db2.gz XIWLEYVSCNJYOE-HZPDHXFCSA-N 1 1 345.512 3.543 20 30 EHEDMO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000886433563 1138076398 /nfs/dbraw/zinc/07/63/98/1138076398.db2.gz NQCPAKKCXUGBLE-SFHVURJKSA-N 1 1 344.842 3.716 20 30 EHEDMO C[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)[C@H]1c1ccccc1 ZINC000886542818 1138093572 /nfs/dbraw/zinc/09/35/72/1138093572.db2.gz GOLQKSFBWMSESH-CXAGYDPISA-N 1 1 325.437 3.641 20 30 EHEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)[C@H]1c1ccccc1 ZINC000886542818 1138093575 /nfs/dbraw/zinc/09/35/75/1138093575.db2.gz GOLQKSFBWMSESH-CXAGYDPISA-N 1 1 325.437 3.641 20 30 EHEDMO C[C@H]1CCC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C1 ZINC000072561464 1138105652 /nfs/dbraw/zinc/10/56/52/1138105652.db2.gz IGJDZDSUXACVNO-GJZGRUSLSA-N 1 1 331.485 3.751 20 30 EHEDMO COc1ccc([C@@H](C)[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000075588371 1138128815 /nfs/dbraw/zinc/12/88/15/1138128815.db2.gz YUGSIZCQPQNWIY-CQSZACIVSA-N 1 1 348.406 3.810 20 30 EHEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000075588371 1138128816 /nfs/dbraw/zinc/12/88/16/1138128816.db2.gz YUGSIZCQPQNWIY-CQSZACIVSA-N 1 1 348.406 3.810 20 30 EHEDMO C[N@H+](CCCOc1ccccc1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075598658 1138128836 /nfs/dbraw/zinc/12/88/36/1138128836.db2.gz HGGMAOPSCRVUAQ-UHFFFAOYSA-N 1 1 348.406 3.509 20 30 EHEDMO C[N@@H+](CCCOc1ccccc1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075598658 1138128837 /nfs/dbraw/zinc/12/88/37/1138128837.db2.gz HGGMAOPSCRVUAQ-UHFFFAOYSA-N 1 1 348.406 3.509 20 30 EHEDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CCCCC#N)C2)cc1 ZINC000263916850 1138391996 /nfs/dbraw/zinc/39/19/96/1138391996.db2.gz PZORFHYEYJSWDQ-KRWDZBQOSA-N 1 1 328.460 3.522 20 30 EHEDMO N#Cc1ccc(OC2CC[NH+](Cc3ccnc(Cl)c3)CC2)cc1 ZINC000264093054 1138417327 /nfs/dbraw/zinc/41/73/27/1138417327.db2.gz GVKSVYNLAAHUFH-UHFFFAOYSA-N 1 1 327.815 3.650 20 30 EHEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CCCSCC#N)C3)nc2c1 ZINC000130780769 1138476167 /nfs/dbraw/zinc/47/61/67/1138476167.db2.gz UGQSYOQXSANLCV-HNNXBMFYSA-N 1 1 328.485 3.698 20 30 EHEDMO Cc1ccc2nc([C@H]3CCC[N@H+](CCCSCC#N)C3)[nH]c2c1 ZINC000130780769 1138476168 /nfs/dbraw/zinc/47/61/68/1138476168.db2.gz UGQSYOQXSANLCV-HNNXBMFYSA-N 1 1 328.485 3.698 20 30 EHEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](CCCSCC#N)C3)[nH]c2c1 ZINC000130780769 1138476170 /nfs/dbraw/zinc/47/61/70/1138476170.db2.gz UGQSYOQXSANLCV-HNNXBMFYSA-N 1 1 328.485 3.698 20 30 EHEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(-c3cccs3)cc2)C1=O ZINC000337228485 1138501505 /nfs/dbraw/zinc/50/15/05/1138501505.db2.gz RBZUTNKVQJKLOP-KRWDZBQOSA-N 1 1 326.465 3.634 20 30 EHEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000337472234 1138579175 /nfs/dbraw/zinc/57/91/75/1138579175.db2.gz WRXAMJOKUZQBGN-DLBZAZTESA-N 1 1 335.451 3.771 20 30 EHEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000337472234 1138579177 /nfs/dbraw/zinc/57/91/77/1138579177.db2.gz WRXAMJOKUZQBGN-DLBZAZTESA-N 1 1 335.451 3.771 20 30 EHEDMO CC(C)[C@@H](C#N)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000264748701 1138626062 /nfs/dbraw/zinc/62/60/62/1138626062.db2.gz LAXWJHCOBRHREN-HXUWFJFHSA-N 1 1 335.451 3.597 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000337799695 1138671319 /nfs/dbraw/zinc/67/13/19/1138671319.db2.gz GDFZGUZCDCJFAV-JXFKEZNVSA-N 1 1 347.462 3.650 20 30 EHEDMO C[C@H](C#N)C[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C1CC1 ZINC000338349281 1138845751 /nfs/dbraw/zinc/84/57/51/1138845751.db2.gz ASYGFORWVBGCEI-GFCCVEGCSA-N 1 1 339.361 3.658 20 30 EHEDMO C[C@H](C#N)C[N@@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C1CC1 ZINC000338349281 1138845757 /nfs/dbraw/zinc/84/57/57/1138845757.db2.gz ASYGFORWVBGCEI-GFCCVEGCSA-N 1 1 339.361 3.658 20 30 EHEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000150899697 1138990775 /nfs/dbraw/zinc/99/07/75/1138990775.db2.gz UXZDRLWHDQMESI-UHFFFAOYSA-N 1 1 331.485 3.919 20 30 EHEDMO N#Cc1cccc(OC2CC[NH+](Cc3cccc(Cl)n3)CC2)c1 ZINC000173666953 1139370675 /nfs/dbraw/zinc/37/06/75/1139370675.db2.gz ZEQPBFNWPQNQRT-UHFFFAOYSA-N 1 1 327.815 3.650 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000174832840 1139445513 /nfs/dbraw/zinc/44/55/13/1139445513.db2.gz QKUOBTLMKJSQOZ-UHFFFAOYSA-N 1 1 347.890 3.818 20 30 EHEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000175849404 1139521995 /nfs/dbraw/zinc/52/19/95/1139521995.db2.gz SWZLKLDJZDILFB-WMZOPIPTSA-N 1 1 342.464 3.587 20 30 EHEDMO CCC[N@@H+](CC)CCNC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000175846927 1139522472 /nfs/dbraw/zinc/52/24/72/1139522472.db2.gz YYAQXSHTMXEAPD-HNNXBMFYSA-N 1 1 348.516 3.792 20 30 EHEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000177551606 1139626426 /nfs/dbraw/zinc/62/64/26/1139626426.db2.gz NUOHJXUFPODDCS-HNAYVOBHSA-N 1 1 344.418 3.986 20 30 EHEDMO C=CC[NH+]1CCC(N[C@@H](C)c2cc(Br)ccc2F)CC1 ZINC000177910002 1139653649 /nfs/dbraw/zinc/65/36/49/1139653649.db2.gz HTMQPNLJMHTPEQ-LBPRGKRZSA-N 1 1 341.268 3.889 20 30 EHEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000184533553 1140107940 /nfs/dbraw/zinc/10/79/40/1140107940.db2.gz SMDPIUUEHLYXJP-OAHLLOKOSA-N 1 1 343.496 3.885 20 30 EHEDMO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1nc(C2CCCCC2)no1 ZINC000185240626 1140141439 /nfs/dbraw/zinc/14/14/39/1140141439.db2.gz LNTBQQZWUIEQBT-CQSZACIVSA-N 1 1 340.427 3.719 20 30 EHEDMO CCC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000185854917 1140173477 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/nfs/dbraw/zinc/13/48/47/1024134847.db2.gz NHLUYFCXMPXQKR-UHFFFAOYSA-N 1 1 331.510 3.561 20 30 EHEDMO CN(C)c1nc2cc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)ccc2[nH]1 ZINC000329811643 1024205736 /nfs/dbraw/zinc/20/57/36/1024205736.db2.gz BXOMTTMDAOMFOX-KRWDZBQOSA-N 1 1 341.459 3.624 20 30 EHEDMO CN(C)c1nc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)cc2[nH]1 ZINC000329811643 1024205750 /nfs/dbraw/zinc/20/57/50/1024205750.db2.gz BXOMTTMDAOMFOX-KRWDZBQOSA-N 1 1 341.459 3.624 20 30 EHEDMO CN(C)c1nc2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)cc2[nH]1 ZINC000329811643 1024205760 /nfs/dbraw/zinc/20/57/60/1024205760.db2.gz BXOMTTMDAOMFOX-KRWDZBQOSA-N 1 1 341.459 3.624 20 30 EHEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1 ZINC000329825836 1024213971 /nfs/dbraw/zinc/21/39/71/1024213971.db2.gz CBAKUHCZNCHPLC-VXTDNTOSSA-N 1 1 349.519 3.987 20 30 EHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000443617758 1024245998 /nfs/dbraw/zinc/24/59/98/1024245998.db2.gz XZXVZRYDNZIQKK-OAHLLOKOSA-N 1 1 342.405 3.871 20 30 EHEDMO Cc1[nH+]ccn1CCCCNc1ccc(C#N)cc1Br ZINC000119456257 1024261082 /nfs/dbraw/zinc/26/10/82/1024261082.db2.gz FOMGFPWRFLPGBR-UHFFFAOYSA-N 1 1 333.233 3.718 20 30 EHEDMO C[NH+](C)Cc1ccc(NCc2ccc(C#N)cc2)cc1Br ZINC000342188985 1024361418 /nfs/dbraw/zinc/36/14/18/1024361418.db2.gz UAGOTSDMZWNRHC-UHFFFAOYSA-N 1 1 344.256 3.994 20 30 EHEDMO CCOc1ccc2nc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)sc2c1 ZINC000330272635 1024380528 /nfs/dbraw/zinc/38/05/28/1024380528.db2.gz XWGXTCRIKOJHCP-AWEZNQCLSA-N 1 1 331.441 3.910 20 30 EHEDMO CCOc1ccc2nc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)sc2c1 ZINC000330272635 1024380545 /nfs/dbraw/zinc/38/05/45/1024380545.db2.gz XWGXTCRIKOJHCP-AWEZNQCLSA-N 1 1 331.441 3.910 20 30 EHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434890815 1024476035 /nfs/dbraw/zinc/47/60/35/1024476035.db2.gz BHLIEDOEZXDOPC-BEVDRBHNSA-N 1 1 334.419 3.650 20 30 EHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434890815 1024476044 /nfs/dbraw/zinc/47/60/44/1024476044.db2.gz BHLIEDOEZXDOPC-BEVDRBHNSA-N 1 1 334.419 3.650 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000434901473 1024493564 /nfs/dbraw/zinc/49/35/64/1024493564.db2.gz WDVLYWKAOCFZBP-JXXFODFXSA-N 1 1 333.435 3.763 20 30 EHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000514522993 1024536482 /nfs/dbraw/zinc/53/64/82/1024536482.db2.gz RNOUNXUHLQSBPV-RTWAWAEBSA-N 1 1 337.463 3.992 20 30 EHEDMO CN(C[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1)C(=O)OC(C)(C)C ZINC000092127825 1024677757 /nfs/dbraw/zinc/67/77/57/1024677757.db2.gz NYOYUVWNMYCTCT-AWEZNQCLSA-N 1 1 349.500 3.699 20 30 EHEDMO O=C(NCc1cccc2c1OCO2)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000330313328 1024682455 /nfs/dbraw/zinc/68/24/55/1024682455.db2.gz XCXXBDMISYLQEJ-INIZCTEOSA-N 1 1 330.428 3.669 20 30 EHEDMO COc1cccc2c1OCCC[C@@H]2[NH2+]Cc1cc(C#N)cnc1Cl ZINC000895640147 1024684417 /nfs/dbraw/zinc/68/44/17/1024684417.db2.gz NRJBYKJJAMCBGS-HNNXBMFYSA-N 1 1 343.814 3.619 20 30 EHEDMO CC[C@H]1C[N@@H+](Cc2csc(C#N)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000892105489 1024722386 /nfs/dbraw/zinc/72/23/86/1024722386.db2.gz LZKWNJOXBGNMSX-HOCLYGCPSA-N 1 1 349.500 3.745 20 30 EHEDMO C[C@@H]1CN(C(=O)Nc2cccc(C#N)c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000346477431 1024764615 /nfs/dbraw/zinc/76/46/15/1024764615.db2.gz FMJXJCWFGZBDPP-SJORKVTESA-N 1 1 348.450 3.685 20 30 EHEDMO CCC(CC)n1ccc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)n1 ZINC000602908872 1033239141 /nfs/dbraw/zinc/23/91/41/1033239141.db2.gz VTBDSKFFBBHLDI-UHFFFAOYSA-N 1 1 337.471 3.890 20 30 EHEDMO C=CCC1(O)CC[NH+](Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000895835724 1024902225 /nfs/dbraw/zinc/90/22/25/1024902225.db2.gz MUSOBYYRTCEKKK-UHFFFAOYSA-N 1 1 331.790 3.844 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000281337001 1024937108 /nfs/dbraw/zinc/93/71/08/1024937108.db2.gz YZLXSPYTOFSEAL-VQIMIIECSA-N 1 1 333.435 3.604 20 30 EHEDMO N#Cc1c(F)cccc1C[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000428223481 1025057685 /nfs/dbraw/zinc/05/76/85/1025057685.db2.gz PDVSKWCIWDAYGJ-OAQYLSRUSA-N 1 1 338.426 3.959 20 30 EHEDMO C=CCC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000435765303 1025127646 /nfs/dbraw/zinc/12/76/46/1025127646.db2.gz SLOOQHKCXDCRFB-OALUTQOASA-N 1 1 327.472 3.572 20 30 EHEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CCCCC#N ZINC000594298914 1033263074 /nfs/dbraw/zinc/26/30/74/1033263074.db2.gz XGTFLOJXQZAXAH-UHFFFAOYSA-N 1 1 339.439 3.612 20 30 EHEDMO N#Cc1csc(C[NH2+][C@H]2CCc3cc(Br)ccc32)n1 ZINC000352838061 1025162101 /nfs/dbraw/zinc/16/21/01/1025162101.db2.gz DMABSEVFTMFKGV-ZDUSSCGKSA-N 1 1 334.242 3.554 20 30 EHEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CCCCC#N ZINC000594298914 1033263090 /nfs/dbraw/zinc/26/30/90/1033263090.db2.gz XGTFLOJXQZAXAH-UHFFFAOYSA-N 1 1 339.439 3.612 20 30 EHEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000521194938 1025254018 /nfs/dbraw/zinc/25/40/18/1025254018.db2.gz CHKNDGAGGXMIQF-CQSZACIVSA-N 1 1 340.389 3.899 20 30 EHEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000521194938 1025254028 /nfs/dbraw/zinc/25/40/28/1025254028.db2.gz CHKNDGAGGXMIQF-CQSZACIVSA-N 1 1 340.389 3.899 20 30 EHEDMO Cc1ccc(Cl)cc1N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000505749597 1025322609 /nfs/dbraw/zinc/32/26/09/1025322609.db2.gz FTDZMWGZJRJCPF-UHFFFAOYSA-N 1 1 331.872 3.904 20 30 EHEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425450583 1025325257 /nfs/dbraw/zinc/32/52/57/1025325257.db2.gz KULSOXJIAQOAJB-VQIMIIECSA-N 1 1 342.487 3.525 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C#N)s1 ZINC000267261600 1025448124 /nfs/dbraw/zinc/44/81/24/1025448124.db2.gz KJOLFAITOUKIIP-KXBFYZLASA-N 1 1 325.481 3.620 20 30 EHEDMO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000267261600 1025448131 /nfs/dbraw/zinc/44/81/31/1025448131.db2.gz KJOLFAITOUKIIP-KXBFYZLASA-N 1 1 325.481 3.620 20 30 EHEDMO COc1ccc(C[N@@H+](Cc2ccccc2C#N)[C@@H](C)CCCO)cc1 ZINC000602966515 1033290635 /nfs/dbraw/zinc/29/06/35/1033290635.db2.gz IEASMKLMAFOMGQ-KRWDZBQOSA-N 1 1 338.451 3.730 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](CC)Cc1c[nH]c2ccccc12 ZINC000442888744 1025571737 /nfs/dbraw/zinc/57/17/37/1025571737.db2.gz HNYYYSYFUBVAQO-MRXNPFEDSA-N 1 1 327.472 3.803 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)cc1OC ZINC000442968196 1025629067 /nfs/dbraw/zinc/62/90/67/1025629067.db2.gz PDXRYYYTCROWHP-IAGOWNOFSA-N 1 1 331.456 3.792 20 30 EHEDMO C[C@@H](NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1)c1ccc(F)cc1 ZINC000425531254 1025654239 /nfs/dbraw/zinc/65/42/39/1025654239.db2.gz HFUYFJDPKJDFMW-HUUCEWRRSA-N 1 1 339.414 3.568 20 30 EHEDMO C[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1)c1ccc(F)cc1 ZINC000425531254 1025654245 /nfs/dbraw/zinc/65/42/45/1025654245.db2.gz HFUYFJDPKJDFMW-HUUCEWRRSA-N 1 1 339.414 3.568 20 30 EHEDMO COCc1c2ccccc2oc1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000329191505 1025656011 /nfs/dbraw/zinc/65/60/11/1025656011.db2.gz SHKUKRCGWXLAJH-AWEZNQCLSA-N 1 1 342.439 3.901 20 30 EHEDMO COc1cc(C[N@@H+]2CC[C@@H](F)C2)ccc1OCc1cccc(C#N)c1 ZINC000451187559 1025656695 /nfs/dbraw/zinc/65/66/95/1025656695.db2.gz CWQDULCKJAKJIA-GOSISDBHSA-N 1 1 340.398 3.690 20 30 EHEDMO COc1cc(C[N@H+]2CC[C@@H](F)C2)ccc1OCc1cccc(C#N)c1 ZINC000451187559 1025656703 /nfs/dbraw/zinc/65/67/03/1025656703.db2.gz CWQDULCKJAKJIA-GOSISDBHSA-N 1 1 340.398 3.690 20 30 EHEDMO Cc1cc(C)cc(OC[C@@H](O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425533347 1025662067 /nfs/dbraw/zinc/66/20/67/1025662067.db2.gz DMMGPUUZQWVWPV-XLIONFOSSA-N 1 1 338.451 3.608 20 30 EHEDMO CCc1oc(C(=O)OC)cc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425534880 1025677564 /nfs/dbraw/zinc/67/75/64/1025677564.db2.gz MJHIYILOZFJLBX-CYBMUJFWSA-N 1 1 326.396 3.693 20 30 EHEDMO CCc1oc(C(=O)OC)cc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425534880 1025677575 /nfs/dbraw/zinc/67/75/75/1025677575.db2.gz MJHIYILOZFJLBX-CYBMUJFWSA-N 1 1 326.396 3.693 20 30 EHEDMO CCc1nnc([C@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)o1 ZINC000329229672 1025679588 /nfs/dbraw/zinc/67/95/88/1025679588.db2.gz JLWGKKQFTKIKSV-KBPBESRZSA-N 1 1 328.416 3.693 20 30 EHEDMO CCc1nnc([C@H](C)[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)o1 ZINC000329229672 1025679597 /nfs/dbraw/zinc/67/95/97/1025679597.db2.gz JLWGKKQFTKIKSV-KBPBESRZSA-N 1 1 328.416 3.693 20 30 EHEDMO COc1ccc(C)cc1NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425534221 1025679832 /nfs/dbraw/zinc/67/98/32/1025679832.db2.gz LRXNCQWXOPBPAH-OAHLLOKOSA-N 1 1 337.423 3.507 20 30 EHEDMO COc1ccc(C)cc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425534221 1025679843 /nfs/dbraw/zinc/67/98/43/1025679843.db2.gz LRXNCQWXOPBPAH-OAHLLOKOSA-N 1 1 337.423 3.507 20 30 EHEDMO CCc1nc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)sc1C ZINC000425536775 1025687258 /nfs/dbraw/zinc/68/72/58/1025687258.db2.gz PGJLLUJIBOLYMD-LBPRGKRZSA-N 1 1 342.468 3.517 20 30 EHEDMO CCc1nc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)sc1C ZINC000425536775 1025687265 /nfs/dbraw/zinc/68/72/65/1025687265.db2.gz PGJLLUJIBOLYMD-LBPRGKRZSA-N 1 1 342.468 3.517 20 30 EHEDMO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1F ZINC000425543928 1025698716 /nfs/dbraw/zinc/69/87/16/1025698716.db2.gz ZWQVKWTZDQUBHJ-CQSZACIVSA-N 1 1 325.387 3.637 20 30 EHEDMO Cc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1F ZINC000425543928 1025698723 /nfs/dbraw/zinc/69/87/23/1025698723.db2.gz ZWQVKWTZDQUBHJ-CQSZACIVSA-N 1 1 325.387 3.637 20 30 EHEDMO C=CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522834061 1025738944 /nfs/dbraw/zinc/73/89/44/1025738944.db2.gz DPBVSQVRHKDWTG-OAQYLSRUSA-N 1 1 349.478 3.508 20 30 EHEDMO COc1ccc2nc(C)cc(C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)c2c1 ZINC000329311278 1025745414 /nfs/dbraw/zinc/74/54/14/1025745414.db2.gz GEFGKFQGOCIGKV-CQSZACIVSA-N 1 1 339.439 3.507 20 30 EHEDMO C[N@@H+](CCCOc1ccc(F)cc1)CCCC1(C#N)CCOCC1 ZINC000281944676 1025756126 /nfs/dbraw/zinc/75/61/26/1025756126.db2.gz JENZFFYUNHXQPF-UHFFFAOYSA-N 1 1 334.435 3.627 20 30 EHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1N1CCCC1 ZINC000281953066 1025775832 /nfs/dbraw/zinc/77/58/32/1025775832.db2.gz JTTVIANKXDMHPH-UHFFFAOYSA-N 1 1 341.499 3.819 20 30 EHEDMO CC1CCC(NC(=O)C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)CC1 ZINC000329356661 1025776889 /nfs/dbraw/zinc/77/68/89/1025776889.db2.gz WIEGPDMOCKLSBI-VJFUWPCTSA-N 1 1 340.471 3.818 20 30 EHEDMO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3cncc4ccccc43)C2)nc1 ZINC000896654456 1025812976 /nfs/dbraw/zinc/81/29/76/1025812976.db2.gz LLMSHOUTUVAKGQ-IBGZPJMESA-N 1 1 343.434 3.578 20 30 EHEDMO CN(C)c1nc2cc(NC(=O)CC[C@H]3CCCC[N@H+]3C)ccc2o1 ZINC000329401728 1025813084 /nfs/dbraw/zinc/81/30/84/1025813084.db2.gz YGAHJKGARMBDMF-CQSZACIVSA-N 1 1 330.432 3.746 20 30 EHEDMO CC[C@@H]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC(=O)N1 ZINC000329401130 1025813478 /nfs/dbraw/zinc/81/34/78/1025813478.db2.gz BHASSICVVSXSIC-LHHMISFZSA-N 1 1 329.444 3.533 20 30 EHEDMO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000611587497 1025863788 /nfs/dbraw/zinc/86/37/88/1025863788.db2.gz DFPHTTWQNWLSGJ-KPZWWZAWSA-N 1 1 326.371 3.880 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(C(=O)OC)ccc1F ZINC000511100984 1025906306 /nfs/dbraw/zinc/90/63/06/1025906306.db2.gz KENCPUMCUHLTLY-UHFFFAOYSA-N 1 1 340.398 3.896 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C(=O)OC)ccc1F ZINC000511100984 1025906320 /nfs/dbraw/zinc/90/63/20/1025906320.db2.gz KENCPUMCUHLTLY-UHFFFAOYSA-N 1 1 340.398 3.896 20 30 EHEDMO CCO[C@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000451541144 1026087011 /nfs/dbraw/zinc/08/70/11/1026087011.db2.gz LOCHGQGGWBGOTR-YOEHRIQHSA-N 1 1 341.373 3.684 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)COc1cc(C)cc(C)c1 ZINC000247902863 1026125305 /nfs/dbraw/zinc/12/53/05/1026125305.db2.gz ZULBTZGBISUSLI-KRWDZBQOSA-N 1 1 331.481 3.793 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC000896986852 1026208319 /nfs/dbraw/zinc/20/83/19/1026208319.db2.gz MNOBYYDBMSMYHB-DZGCQCFKSA-N 1 1 349.500 3.602 20 30 EHEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000451733167 1026238791 /nfs/dbraw/zinc/23/87/91/1026238791.db2.gz HYRNMINJUBIFPN-KRWDZBQOSA-N 1 1 333.863 3.629 20 30 EHEDMO C[NH+](C)[C@@H](CNCc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000048776315 1026246381 /nfs/dbraw/zinc/24/63/81/1026246381.db2.gz MQUHHQBNULUQKL-QFIPXVFZSA-N 1 1 349.478 3.567 20 30 EHEDMO C=CCCC[N@H+](C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000523009753 1026330975 /nfs/dbraw/zinc/33/09/75/1026330975.db2.gz IYFFSSFKYSSQHX-FQEVSTJZSA-N 1 1 325.452 3.991 20 30 EHEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)ccc1F ZINC000119851422 1026385987 /nfs/dbraw/zinc/38/59/87/1026385987.db2.gz MZSXAXWLUNNMQX-SFHVURJKSA-N 1 1 338.382 3.806 20 30 EHEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)ccc1F ZINC000119851422 1026385997 /nfs/dbraw/zinc/38/59/97/1026385997.db2.gz MZSXAXWLUNNMQX-SFHVURJKSA-N 1 1 338.382 3.806 20 30 EHEDMO CC(C)CC[N@H+](CCC#N)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000530904935 1026408082 /nfs/dbraw/zinc/40/80/82/1026408082.db2.gz ONLUTSCIUKLSTQ-HXUWFJFHSA-N 1 1 340.467 3.841 20 30 EHEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000530904935 1026408087 /nfs/dbraw/zinc/40/80/87/1026408087.db2.gz ONLUTSCIUKLSTQ-HXUWFJFHSA-N 1 1 340.467 3.841 20 30 EHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000452140981 1026510332 /nfs/dbraw/zinc/51/03/32/1026510332.db2.gz RZLQXRJEUUCOIX-RTBURBONSA-N 1 1 327.472 3.802 20 30 EHEDMO C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000479462569 1026629195 /nfs/dbraw/zinc/62/91/95/1026629195.db2.gz GMYQFXPTQAYZLK-QFBILLFUSA-N 1 1 337.442 3.870 20 30 EHEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CCCC#N)CC1 ZINC000159353077 1026638675 /nfs/dbraw/zinc/63/86/75/1026638675.db2.gz XSXYFLTXETYUBM-UHFFFAOYSA-N 1 1 339.405 3.905 20 30 EHEDMO C=CCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000342721589 1026844711 /nfs/dbraw/zinc/84/47/11/1026844711.db2.gz NRUXXWWWCLTAAG-UHFFFAOYSA-N 1 1 328.460 3.538 20 30 EHEDMO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1cnccn1 ZINC000193063155 1026854591 /nfs/dbraw/zinc/85/45/91/1026854591.db2.gz VFWONJNDGFBNIU-UHFFFAOYSA-N 1 1 342.446 3.808 20 30 EHEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1cnccn1 ZINC000193063155 1026854598 /nfs/dbraw/zinc/85/45/98/1026854598.db2.gz VFWONJNDGFBNIU-UHFFFAOYSA-N 1 1 342.446 3.808 20 30 EHEDMO COc1ccc(CN2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC000340194153 1026894143 /nfs/dbraw/zinc/89/41/43/1026894143.db2.gz DGTMYTDFBQGDST-SFHVURJKSA-N 1 1 349.478 3.663 20 30 EHEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000475452213 1027008166 /nfs/dbraw/zinc/00/81/66/1027008166.db2.gz JBZPHPUGDUCXCR-PMACEKPBSA-N 1 1 341.499 3.845 20 30 EHEDMO Cc1ccc(C#N)cc1NC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000135585086 1027083524 /nfs/dbraw/zinc/08/35/24/1027083524.db2.gz CJUAEXMQYXCWDB-APWZRJJASA-N 1 1 348.450 3.651 20 30 EHEDMO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000501284407 1027167390 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EHEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1=O ZINC000501874970 1027622046 /nfs/dbraw/zinc/62/20/46/1027622046.db2.gz SOUSHULIBMWEOD-CZUORRHYSA-N 1 1 340.389 3.528 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000121414268 1027641775 /nfs/dbraw/zinc/64/17/75/1027641775.db2.gz DEFXJBOHKGRCPR-MRXNPFEDSA-N 1 1 327.453 3.841 20 30 EHEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000121414268 1027641779 /nfs/dbraw/zinc/64/17/79/1027641779.db2.gz DEFXJBOHKGRCPR-MRXNPFEDSA-N 1 1 327.453 3.841 20 30 EHEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1ccc(C#N)cn1 ZINC000078335904 1027681712 /nfs/dbraw/zinc/68/17/12/1027681712.db2.gz XHIPTSBSOUUDQE-UHFFFAOYSA-N 1 1 332.407 3.790 20 30 EHEDMO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000346977090 1027743298 /nfs/dbraw/zinc/74/32/98/1027743298.db2.gz WGKKWLRPYSFVBJ-QGZVFWFLSA-N 1 1 349.272 3.712 20 30 EHEDMO CCN(Cc1ccccc1C[N@H+](CC)C[C@H](C)C#N)C[C@H](C)C#N ZINC000246108446 1027743755 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CC(C)C[C@@H]1CCCCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000533606849 1028173320 /nfs/dbraw/zinc/17/33/20/1028173320.db2.gz OEPBKRJBNDUSGE-SFHVURJKSA-N 1 1 348.512 3.623 20 30 EHEDMO C=CC[C@H]1[N@@H+](CC(=O)NCc2ccccc2COC)CCCC1(C)C ZINC000444780318 1028242493 /nfs/dbraw/zinc/24/24/93/1028242493.db2.gz DRVLOPXUPMDESS-LJQANCHMSA-N 1 1 344.499 3.516 20 30 EHEDMO C=CC[C@H]1[N@@H+](CC(=O)Nc2ccc(OC)cc2OC)CCCC1(C)C ZINC000444783975 1028253423 /nfs/dbraw/zinc/25/34/23/1028253423.db2.gz MHDDWUUGTKSPFC-GOSISDBHSA-N 1 1 346.471 3.709 20 30 EHEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440550902 1028265318 /nfs/dbraw/zinc/26/53/18/1028265318.db2.gz LSEOYPPJOLVGGX-LIVBEALHSA-N 1 1 328.431 3.867 20 30 EHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440550902 1028265336 /nfs/dbraw/zinc/26/53/36/1028265336.db2.gz LSEOYPPJOLVGGX-LIVBEALHSA-N 1 1 328.431 3.867 20 30 EHEDMO C=CC[C@H]1[N@H+](CC(=O)N[C@H]2CCOc3ccccc32)CCCC1(C)C ZINC000444788836 1028287839 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20 30 EHEDMO C[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000268910778 1028746056 /nfs/dbraw/zinc/74/60/56/1028746056.db2.gz TYUINRZGFIZZLJ-UZLBHIALSA-N 1 1 337.442 3.840 20 30 EHEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000524071137 1028811938 /nfs/dbraw/zinc/81/19/38/1028811938.db2.gz MFIGKGHBCZQBHO-SLYNCCJLSA-N 1 1 341.499 3.699 20 30 EHEDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(C)cc1 ZINC000532928979 1029056226 /nfs/dbraw/zinc/05/62/26/1029056226.db2.gz KAQDISLLOGVUQU-UHFFFAOYSA-N 1 1 341.842 3.981 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(C)cc1 ZINC000532928979 1029056241 /nfs/dbraw/zinc/05/62/41/1029056241.db2.gz KAQDISLLOGVUQU-UHFFFAOYSA-N 1 1 341.842 3.981 20 30 EHEDMO COc1ccc(C[N@@H+](C)CCCOc2ccc(F)cc2)cc1C#N ZINC000533079840 1029285138 /nfs/dbraw/zinc/28/51/38/1029285138.db2.gz XKKDKZBLKNHVGZ-UHFFFAOYSA-N 1 1 328.387 3.607 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000121628027 1029311573 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C=CC[N@@H+](CC(=O)N[C@@H](C)Cc1ccccc1C)Cc1ccccc1 ZINC000524753666 1029469483 /nfs/dbraw/zinc/46/94/83/1029469483.db2.gz RNOPJNXGSLZIIN-IBGZPJMESA-N 1 1 336.479 3.730 20 30 EHEDMO C=CC[N@H+](CC(=O)N[C@@H](C)Cc1ccccc1C)Cc1ccccc1 ZINC000524753666 1029469488 /nfs/dbraw/zinc/46/94/88/1029469488.db2.gz RNOPJNXGSLZIIN-IBGZPJMESA-N 1 1 336.479 3.730 20 30 EHEDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192053513 1029473160 /nfs/dbraw/zinc/47/31/60/1029473160.db2.gz WXVLFDBNYFQAEO-NPMABZOXSA-N 1 1 330.428 3.628 20 30 EHEDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192053513 1029473165 /nfs/dbraw/zinc/47/31/65/1029473165.db2.gz WXVLFDBNYFQAEO-NPMABZOXSA-N 1 1 330.428 3.628 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](C)C[C@H]1C ZINC000533292743 1029587074 /nfs/dbraw/zinc/58/70/74/1029587074.db2.gz UWYMKKXLTGAOPW-KFWWJZLASA-N 1 1 331.485 3.750 20 30 EHEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000533296196 1029597060 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20 30 EHEDMO C=C(C)CN(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245823419 1030268159 /nfs/dbraw/zinc/26/81/59/1030268159.db2.gz FEVMJLSZLZKEFC-SJORKVTESA-N 1 1 335.879 3.693 20 30 EHEDMO C=C(C)CN(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245823419 1030268176 /nfs/dbraw/zinc/26/81/76/1030268176.db2.gz FEVMJLSZLZKEFC-SJORKVTESA-N 1 1 335.879 3.693 20 30 EHEDMO CC[N@@H+]1CCO[C@H](CNc2ccc(C#N)cc2F)[C@@H]1c1ccccc1 ZINC000343323625 1030280639 /nfs/dbraw/zinc/28/06/39/1030280639.db2.gz USLHOYDGPAKUID-UXHICEINSA-N 1 1 339.414 3.571 20 30 EHEDMO CC[N@H+]1CCO[C@H](CNc2ccc(C#N)cc2F)[C@@H]1c1ccccc1 ZINC000343323625 1030280648 /nfs/dbraw/zinc/28/06/48/1030280648.db2.gz USLHOYDGPAKUID-UXHICEINSA-N 1 1 339.414 3.571 20 30 EHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(-n2cncn2)c(C)c1 ZINC000092504258 1030472017 /nfs/dbraw/zinc/47/20/17/1030472017.db2.gz PNIDPJVKDMIMGZ-UHFFFAOYSA-N 1 1 343.434 3.636 20 30 EHEDMO C=CCC[C@H](NC(=O)NC[C@H]1CC[N@H+](CCC)C1)c1ccccc1 ZINC000159134450 1030486312 /nfs/dbraw/zinc/48/63/12/1030486312.db2.gz YETWDZSACVAMRE-MJGOQNOKSA-N 1 1 329.488 3.725 20 30 EHEDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000447841501 1030531224 /nfs/dbraw/zinc/53/12/24/1030531224.db2.gz YAQLJEFNEDAXIL-HOCLYGCPSA-N 1 1 341.373 3.562 20 30 EHEDMO COc1ccc(-c2n[nH]cc2C[N@H+](CCC#N)CCC(C)C)cc1 ZINC000093100946 1030561106 /nfs/dbraw/zinc/56/11/06/1030561106.db2.gz GFSFZOCNBWRQOU-UHFFFAOYSA-N 1 1 326.444 3.847 20 30 EHEDMO COc1ccc(-c2n[nH]cc2C[N@@H+](CCC#N)CCC(C)C)cc1 ZINC000093100946 1030561116 /nfs/dbraw/zinc/56/11/16/1030561116.db2.gz GFSFZOCNBWRQOU-UHFFFAOYSA-N 1 1 326.444 3.847 20 30 EHEDMO C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000160221119 1030603205 /nfs/dbraw/zinc/60/32/05/1030603205.db2.gz HMKBFEWMQDYINA-BBRMVZONSA-N 1 1 345.874 3.594 20 30 EHEDMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1CC(C)(C)CCC#N ZINC000093480638 1030618393 /nfs/dbraw/zinc/61/83/93/1030618393.db2.gz ZCXMRRUHVRMPQZ-KRWDZBQOSA-N 1 1 343.471 3.737 20 30 EHEDMO C=CCc1cc(C[N@H+](CCOC)Cc2ccc(C)o2)cc(OC)c1O ZINC000093707182 1030664234 /nfs/dbraw/zinc/66/42/34/1030664234.db2.gz CAKULHNQVSCOCL-UHFFFAOYSA-N 1 1 345.439 3.679 20 30 EHEDMO C=CCc1cc(C[N@@H+](CCOC)Cc2ccc(C)o2)cc(OC)c1O ZINC000093707182 1030664240 /nfs/dbraw/zinc/66/42/40/1030664240.db2.gz CAKULHNQVSCOCL-UHFFFAOYSA-N 1 1 345.439 3.679 20 30 EHEDMO C[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000482865431 1030760470 /nfs/dbraw/zinc/76/04/70/1030760470.db2.gz JUTKMWOBKPHEAU-QWHCGFSZSA-N 1 1 331.485 3.557 20 30 EHEDMO C[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000482865431 1030760489 /nfs/dbraw/zinc/76/04/89/1030760489.db2.gz JUTKMWOBKPHEAU-QWHCGFSZSA-N 1 1 331.485 3.557 20 30 EHEDMO CC[C@H](C)C[N@@H+](CC)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000482872927 1030772653 /nfs/dbraw/zinc/77/26/53/1030772653.db2.gz ZQXLNQRIFBAKQO-INIZCTEOSA-N 1 1 329.488 3.918 20 30 EHEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)[C@@H]1C ZINC000482890071 1030786352 /nfs/dbraw/zinc/78/63/52/1030786352.db2.gz VKTWEIIWTNMORF-MGPQQGTHSA-N 1 1 345.512 3.803 20 30 EHEDMO C=CCCC(C)(C)NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000666042280 1030896590 /nfs/dbraw/zinc/89/65/90/1030896590.db2.gz IFZANSGESKBKGI-INIZCTEOSA-N 1 1 345.487 3.946 20 30 EHEDMO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1nc(-c2ccncc2)cs1 ZINC000347832225 1030943479 /nfs/dbraw/zinc/94/34/79/1030943479.db2.gz AAUZXGXNRFIOMI-NSHDSACASA-N 1 1 326.450 3.989 20 30 EHEDMO C=CCCC1(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000476792857 1030962166 /nfs/dbraw/zinc/96/21/66/1030962166.db2.gz BTNWGOADSPHSKJ-IBGZPJMESA-N 1 1 326.484 3.760 20 30 EHEDMO CN(Cc1cc(F)ccc1C#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000160891261 1031141223 /nfs/dbraw/zinc/14/12/23/1031141223.db2.gz FMXCUXCGMFSHLR-SFHVURJKSA-N 1 1 337.442 3.651 20 30 EHEDMO C=CCOc1c(Cl)cc(C[NH+]2CCC(OCC)CC2)cc1OC ZINC000628140514 1031190829 /nfs/dbraw/zinc/19/08/29/1031190829.db2.gz NPUDAEWZIIADSK-UHFFFAOYSA-N 1 1 339.863 3.914 20 30 EHEDMO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H](C)C(C)C ZINC000343520801 1031224132 /nfs/dbraw/zinc/22/41/32/1031224132.db2.gz HUVHNSLTNOZKPD-OAHLLOKOSA-N 1 1 335.879 3.953 20 30 EHEDMO CC[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(F)cc1F ZINC000161006825 1031234213 /nfs/dbraw/zinc/23/42/13/1031234213.db2.gz ZTMRTPKCULXWDC-SUMWQHHRSA-N 1 1 349.425 3.737 20 30 EHEDMO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](OC)C2)cc1OC ZINC000628143354 1031255994 /nfs/dbraw/zinc/25/59/94/1031255994.db2.gz KFWLAHLOMXRMEG-CQSZACIVSA-N 1 1 325.836 3.524 20 30 EHEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](OC)C2)cc1OC ZINC000628143354 1031256007 /nfs/dbraw/zinc/25/60/07/1031256007.db2.gz KFWLAHLOMXRMEG-CQSZACIVSA-N 1 1 325.836 3.524 20 30 EHEDMO COc1ccc(OC)c(C[N@@H+](CCCSCC#N)C(C)(C)C)c1 ZINC000132246384 1031277403 /nfs/dbraw/zinc/27/74/03/1031277403.db2.gz UTHABXGJPKSXHL-UHFFFAOYSA-N 1 1 336.501 3.951 20 30 EHEDMO C=C[C@@H](CC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000247983224 1031328650 /nfs/dbraw/zinc/32/86/50/1031328650.db2.gz HWDGYXPQZHKCAB-MOPGFXCFSA-N 1 1 328.500 3.831 20 30 EHEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2nc3c(s2)CCCC3)cc1 ZINC000926919319 1031342657 /nfs/dbraw/zinc/34/26/57/1031342657.db2.gz MCGBSOLPMDAACW-CQSZACIVSA-N 1 1 326.465 3.885 20 30 EHEDMO CC[N@H+](CC(=O)Nc1ccccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741962 1031461607 /nfs/dbraw/zinc/46/16/07/1031461607.db2.gz OYIIBMOLUFDKBS-HNNXBMFYSA-N 1 1 337.423 3.588 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1ccccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741962 1031461617 /nfs/dbraw/zinc/46/16/17/1031461617.db2.gz OYIIBMOLUFDKBS-HNNXBMFYSA-N 1 1 337.423 3.588 20 30 EHEDMO N#C[C@]1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC12CCCC2 ZINC000448773824 1031661740 /nfs/dbraw/zinc/66/17/40/1031661740.db2.gz WQCIGHXJRHEHLF-NRFANRHFSA-N 1 1 343.515 3.575 20 30 EHEDMO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CC[C@@H](C#N)C1 ZINC000278634458 1031746337 /nfs/dbraw/zinc/74/63/37/1031746337.db2.gz OKVXNXVIKZJIFC-VXGBXAGGSA-N 1 1 340.254 3.946 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CC[C@@H](C#N)C1 ZINC000278634458 1031746352 /nfs/dbraw/zinc/74/63/52/1031746352.db2.gz OKVXNXVIKZJIFC-VXGBXAGGSA-N 1 1 340.254 3.946 20 30 EHEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000484639354 1031808043 /nfs/dbraw/zinc/80/80/43/1031808043.db2.gz FVVBSFDNLHYJBO-CYBMUJFWSA-N 1 1 332.669 3.861 20 30 EHEDMO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000484679328 1031866348 /nfs/dbraw/zinc/86/63/48/1031866348.db2.gz MDQHBZLRRBDJCR-SJORKVTESA-N 1 1 340.467 3.540 20 30 EHEDMO C=CC[N@H+](CCOC)[C@@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000484679328 1031866366 /nfs/dbraw/zinc/86/63/66/1031866366.db2.gz MDQHBZLRRBDJCR-SJORKVTESA-N 1 1 340.467 3.540 20 30 EHEDMO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)C1CC1 ZINC000537853800 1031979576 /nfs/dbraw/zinc/97/95/76/1031979576.db2.gz BXAQRQLYMCIAAU-LLVKDONJSA-N 1 1 327.255 3.821 20 30 EHEDMO C=CC[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)C1CC1 ZINC000537853800 1031979579 /nfs/dbraw/zinc/97/95/79/1031979579.db2.gz BXAQRQLYMCIAAU-LLVKDONJSA-N 1 1 327.255 3.821 20 30 EHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000607755136 1033302490 /nfs/dbraw/zinc/30/24/90/1033302490.db2.gz IEGQSFZPGVPOFM-UTKZUKDTSA-N 1 1 337.463 3.602 20 30 EHEDMO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000598592133 1033317629 /nfs/dbraw/zinc/31/76/29/1033317629.db2.gz FZIIEJNHXZYELW-ZDUSSCGKSA-N 1 1 327.255 3.652 20 30 EHEDMO CC(C)c1csc([C@H]2CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C2)n1 ZINC000598593013 1033318214 /nfs/dbraw/zinc/31/82/14/1033318214.db2.gz QBCAHZREBVCRPL-GJZGRUSLSA-N 1 1 335.517 3.747 20 30 EHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000598618748 1033331897 /nfs/dbraw/zinc/33/18/97/1033331897.db2.gz PVVMJUALILKWPQ-ZBFHGGJFSA-N 1 1 338.904 3.807 20 30 EHEDMO CC(C)C[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H]1CCCc2cccnc21 ZINC000598608773 1033336866 /nfs/dbraw/zinc/33/68/66/1033336866.db2.gz PGINMMGWGIUXBH-ZWKOTPCHSA-N 1 1 329.488 3.718 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000449861052 1033358837 /nfs/dbraw/zinc/35/88/37/1033358837.db2.gz NAWQFWFZTGGRIB-LVCYWYKZSA-N 1 1 343.515 3.573 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[NH2+][C@@H](C(F)F)C2CCCCC2)c1 ZINC000598651014 1033366053 /nfs/dbraw/zinc/36/60/53/1033366053.db2.gz VGKSRPALECMOME-QGZVFWFLSA-N 1 1 335.398 3.690 20 30 EHEDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)[nH]1 ZINC000594503972 1033404084 /nfs/dbraw/zinc/40/40/84/1033404084.db2.gz KRYHZOLTEVUSJO-UONOGXRCSA-N 1 1 325.460 3.970 20 30 EHEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000592777377 1033471338 /nfs/dbraw/zinc/47/13/38/1033471338.db2.gz LYWSBUNDGYOIDN-CQSZACIVSA-N 1 1 340.427 3.694 20 30 EHEDMO C=C(Br)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176914950 1033475888 /nfs/dbraw/zinc/47/58/88/1033475888.db2.gz UQUAGTBSWWQXBK-WBVHZDCISA-N 1 1 337.305 3.880 20 30 EHEDMO C[C@H](CCN(C)Cc1cccc(C#N)c1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000431605323 1033500412 /nfs/dbraw/zinc/50/04/12/1033500412.db2.gz RDRZFYKLEKOJLV-GOSISDBHSA-N 1 1 346.478 3.772 20 30 EHEDMO C[C@H](CC[N@H+](C)Cc1cccc(C#N)c1)N(C)Cc1cccc(C#N)c1 ZINC000431605323 1033500415 /nfs/dbraw/zinc/50/04/15/1033500415.db2.gz RDRZFYKLEKOJLV-GOSISDBHSA-N 1 1 346.478 3.772 20 30 EHEDMO C[C@H](CC[N@@H+](C)Cc1cccc(C#N)c1)N(C)Cc1cccc(C#N)c1 ZINC000431605323 1033500416 /nfs/dbraw/zinc/50/04/16/1033500416.db2.gz RDRZFYKLEKOJLV-GOSISDBHSA-N 1 1 346.478 3.772 20 30 EHEDMO CC[NH+](CC)CCOc1ccccc1CNCc1cccc(C#N)c1 ZINC000061052420 1033512216 /nfs/dbraw/zinc/51/22/16/1033512216.db2.gz KWFCPRZDSSJCSJ-UHFFFAOYSA-N 1 1 337.467 3.569 20 30 EHEDMO C[NH+](C)C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc(F)cc1 ZINC000594958693 1033598443 /nfs/dbraw/zinc/59/84/43/1033598443.db2.gz VAKVNZROZPBUNN-HXUWFJFHSA-N 1 1 337.442 3.773 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2ccccc2)CC1 ZINC000603442097 1033610918 /nfs/dbraw/zinc/61/09/18/1033610918.db2.gz UMXCNKTYLQZFCJ-MRXNPFEDSA-N 1 1 333.435 3.765 20 30 EHEDMO Fc1ccc(C#CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000685606189 1033613112 /nfs/dbraw/zinc/61/31/12/1033613112.db2.gz PXLDZMCTQSHQOC-VXKWHMMOSA-N 1 1 348.465 3.631 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000063762363 1033656203 /nfs/dbraw/zinc/65/62/03/1033656203.db2.gz VMYPLOQSPRMCED-UHFFFAOYSA-N 1 1 347.462 3.691 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000063762363 1033656213 /nfs/dbraw/zinc/65/62/13/1033656213.db2.gz VMYPLOQSPRMCED-UHFFFAOYSA-N 1 1 347.462 3.691 20 30 EHEDMO Cn1cc[nH+]c1C[C@H](Nc1ncc(C#N)cc1Cl)c1ccccc1 ZINC000078558781 1033706315 /nfs/dbraw/zinc/70/63/15/1033706315.db2.gz ORXYMGSWBTYQEQ-INIZCTEOSA-N 1 1 337.814 3.736 20 30 EHEDMO N#Cc1cc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000594220663 1033755934 /nfs/dbraw/zinc/75/59/34/1033755934.db2.gz WDORGJYOZJPYBY-OAHLLOKOSA-N 1 1 339.826 3.672 20 30 EHEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000595394440 1033778127 /nfs/dbraw/zinc/77/81/27/1033778127.db2.gz XPWOUVQMSIPJAO-LJQANCHMSA-N 1 1 343.434 3.723 20 30 EHEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000595394440 1033778140 /nfs/dbraw/zinc/77/81/40/1033778140.db2.gz XPWOUVQMSIPJAO-LJQANCHMSA-N 1 1 343.434 3.723 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)CCc2ccc(F)cc21 ZINC000593695948 1033806036 /nfs/dbraw/zinc/80/60/36/1033806036.db2.gz XHXQUBVGBWVSLY-CQSZACIVSA-N 1 1 334.398 3.507 20 30 EHEDMO Cc1ccc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1C#N ZINC000599261721 1033839800 /nfs/dbraw/zinc/83/98/00/1033839800.db2.gz UULAQOJUYKRHRZ-MRXNPFEDSA-N 1 1 331.423 3.640 20 30 EHEDMO CC(C)n1cc(C2=CCC[N@@H+](Cc3ccc(CC#N)cc3)CC2)nn1 ZINC000595524670 1033841859 /nfs/dbraw/zinc/84/18/59/1033841859.db2.gz MWMNOZWMQHMEOM-UHFFFAOYSA-N 1 1 335.455 3.604 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595569469 1033847162 /nfs/dbraw/zinc/84/71/62/1033847162.db2.gz YWTQEDWBHQBENH-VYDXJSESSA-N 1 1 343.496 3.751 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595569469 1033847167 /nfs/dbraw/zinc/84/71/67/1033847167.db2.gz YWTQEDWBHQBENH-VYDXJSESSA-N 1 1 343.496 3.751 20 30 EHEDMO Cn1ccnc1[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000593722368 1033850008 /nfs/dbraw/zinc/85/00/08/1033850008.db2.gz PQSZMRUBZXFFTA-RTWAWAEBSA-N 1 1 342.446 3.853 20 30 EHEDMO CCCC[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@@H](C)c1ccc(C)o1 ZINC000599272880 1033852322 /nfs/dbraw/zinc/85/23/22/1033852322.db2.gz WGYOJAVJYNTZHR-ROUUACIJSA-N 1 1 348.487 3.823 20 30 EHEDMO CC(C)C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595609574 1033919876 /nfs/dbraw/zinc/91/98/76/1033919876.db2.gz MNUVBFVHQJTNNH-PKOBYXMFSA-N 1 1 327.472 3.516 20 30 EHEDMO CC(C)C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595609574 1033919878 /nfs/dbraw/zinc/91/98/78/1033919878.db2.gz MNUVBFVHQJTNNH-PKOBYXMFSA-N 1 1 327.472 3.516 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611978 1033923303 /nfs/dbraw/zinc/92/33/03/1033923303.db2.gz QWFUPDKAXQKANC-STQMWFEESA-N 1 1 339.361 3.658 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611978 1033923314 /nfs/dbraw/zinc/92/33/14/1033923314.db2.gz QWFUPDKAXQKANC-STQMWFEESA-N 1 1 339.361 3.658 20 30 EHEDMO CC(C)[N@@H+](C[C@H](O)COc1ccccc1C#N)[C@H](C)c1ccsc1 ZINC000599440743 1033927345 /nfs/dbraw/zinc/92/73/45/1033927345.db2.gz PGLDZLGTBFHLMK-QAPCUYQASA-N 1 1 344.480 3.831 20 30 EHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)OCCO2 ZINC000063995184 1033933087 /nfs/dbraw/zinc/93/30/87/1033933087.db2.gz BBQXBHYPXDTSOO-UHFFFAOYSA-N 1 1 340.379 3.554 20 30 EHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)OCCO2 ZINC000063995184 1033933098 /nfs/dbraw/zinc/93/30/98/1033933098.db2.gz BBQXBHYPXDTSOO-UHFFFAOYSA-N 1 1 340.379 3.554 20 30 EHEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCc2ccccc21 ZINC000593097441 1033939939 /nfs/dbraw/zinc/93/99/39/1033939939.db2.gz ZPLMVEUKUVRKMJ-CQSZACIVSA-N 1 1 339.464 3.610 20 30 EHEDMO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)o1 ZINC000174478470 1033950138 /nfs/dbraw/zinc/95/01/38/1033950138.db2.gz ROVIOSZIOUIZFJ-KBXCAEBGSA-N 1 1 328.412 3.610 20 30 EHEDMO CN(C(=O)C[N@@H+](C)Cc1cccc2ccccc21)C1(C#N)CCCCC1 ZINC000603850410 1033975098 /nfs/dbraw/zinc/97/50/98/1033975098.db2.gz AOOYGRUJZJOIDG-UHFFFAOYSA-N 1 1 349.478 3.956 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](CCF)C1 ZINC000595756738 1033984519 /nfs/dbraw/zinc/98/45/19/1033984519.db2.gz WEVMWTBZOIPOHN-HOTGVXAUSA-N 1 1 349.425 3.532 20 30 EHEDMO C=CC[C@@H]1CC[N@H+](Cc2coc(-c3ccc(C(=O)OC)cc3)n2)C1 ZINC000599528750 1033989946 /nfs/dbraw/zinc/98/99/46/1033989946.db2.gz GTGALYPRUXTBJP-CQSZACIVSA-N 1 1 326.396 3.526 20 30 EHEDMO C[C@]1(C#N)CC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000595839523 1034004689 /nfs/dbraw/zinc/00/46/89/1034004689.db2.gz GPERUISCGIFMPK-JOCHJYFZSA-N 1 1 347.462 3.518 20 30 EHEDMO C[C@]1(C#N)CC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000595839523 1034004708 /nfs/dbraw/zinc/00/47/08/1034004708.db2.gz GPERUISCGIFMPK-JOCHJYFZSA-N 1 1 347.462 3.518 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC000595845923 1034007770 /nfs/dbraw/zinc/00/77/70/1034007770.db2.gz WUGBDEYJXYDEIV-HDICACEKSA-N 1 1 338.407 3.811 20 30 EHEDMO CCC[N@@H+](C)CC(C)(C)NCc1cc(C#N)ccc1Br ZINC000595871854 1034032754 /nfs/dbraw/zinc/03/27/54/1034032754.db2.gz RYCQLSBXWZLTSC-UHFFFAOYSA-N 1 1 338.293 3.531 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC2CC1(C)C2 ZINC000595917617 1034039299 /nfs/dbraw/zinc/03/92/99/1034039299.db2.gz ZLENKHGVSFEGSS-GLIABKTBSA-N 1 1 343.496 3.700 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC2CC1(C)C2 ZINC000595917617 1034039310 /nfs/dbraw/zinc/03/93/10/1034039310.db2.gz ZLENKHGVSFEGSS-GLIABKTBSA-N 1 1 343.496 3.700 20 30 EHEDMO CC(C)[N@H+](Cc1ccn(CC(F)(F)F)n1)Cc1ccc(C#N)cc1 ZINC000450304970 1034060716 /nfs/dbraw/zinc/06/07/16/1034060716.db2.gz UEYYAXZILZSGOA-UHFFFAOYSA-N 1 1 336.361 3.728 20 30 EHEDMO CC(C)[N@@H+](Cc1ccn(CC(F)(F)F)n1)Cc1ccc(C#N)cc1 ZINC000450304970 1034060730 /nfs/dbraw/zinc/06/07/30/1034060730.db2.gz UEYYAXZILZSGOA-UHFFFAOYSA-N 1 1 336.361 3.728 20 30 EHEDMO Cc1ccc(C#N)nc1N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000596167910 1034115918 /nfs/dbraw/zinc/11/59/18/1034115918.db2.gz IRVOMRIKBHFDMU-CTNGQTDRSA-N 1 1 346.478 3.753 20 30 EHEDMO CC(C)[N@H+]1CCCC[C@H]1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000596260568 1034152743 /nfs/dbraw/zinc/15/27/43/1034152743.db2.gz KQHQSNWTMJVYTF-HNNXBMFYSA-N 1 1 332.492 3.605 20 30 EHEDMO N#Cc1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000596526644 1034276058 /nfs/dbraw/zinc/27/60/58/1034276058.db2.gz RZAOLGROQNYUMB-SFHVURJKSA-N 1 1 332.451 3.667 20 30 EHEDMO CC[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1cccc(F)c1)c1ccc(C#N)cc1 ZINC000596650417 1034348740 /nfs/dbraw/zinc/34/87/40/1034348740.db2.gz PWXPCJMBQDRAID-NJDAHSKKSA-N 1 1 337.442 3.884 20 30 EHEDMO CCCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)c1ccc(C)o1 ZINC000604493685 1034399645 /nfs/dbraw/zinc/39/96/45/1034399645.db2.gz YJMCVRTWROKQID-APWZRJJASA-N 1 1 333.476 3.806 20 30 EHEDMO CCCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)c1ccc(C)o1 ZINC000604493685 1034399660 /nfs/dbraw/zinc/39/96/60/1034399660.db2.gz YJMCVRTWROKQID-APWZRJJASA-N 1 1 333.476 3.806 20 30 EHEDMO Cc1c(Br)cncc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000596979022 1034476850 /nfs/dbraw/zinc/47/68/50/1034476850.db2.gz DVRGKKNMMKGBPD-UHFFFAOYSA-N 1 1 330.229 3.656 20 30 EHEDMO Cc1c(Br)cncc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000596979022 1034476858 /nfs/dbraw/zinc/47/68/58/1034476858.db2.gz DVRGKKNMMKGBPD-UHFFFAOYSA-N 1 1 330.229 3.656 20 30 EHEDMO N#CC1(c2ccc(C[NH+]3CCN(c4ccccc4F)CC3)cc2)CC1 ZINC000596978159 1034477098 /nfs/dbraw/zinc/47/70/98/1034477098.db2.gz VGQKRGHWIOHGJH-UHFFFAOYSA-N 1 1 335.426 3.703 20 30 EHEDMO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000596985501 1034481377 /nfs/dbraw/zinc/48/13/77/1034481377.db2.gz NOGHGYJLNMOCDP-UHFFFAOYSA-N 1 1 334.419 3.660 20 30 EHEDMO COc1cccc([C@H]2C[N@H+](Cc3ccc(C4(C#N)CC4)cc3)CCO2)c1 ZINC000596994480 1034498626 /nfs/dbraw/zinc/49/86/26/1034498626.db2.gz ASFYUKFIORTXGT-OAQYLSRUSA-N 1 1 348.446 3.824 20 30 EHEDMO COc1cccc([C@H]2C[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)CCO2)c1 ZINC000596994480 1034498633 /nfs/dbraw/zinc/49/86/33/1034498633.db2.gz ASFYUKFIORTXGT-OAQYLSRUSA-N 1 1 348.446 3.824 20 30 EHEDMO CC[N@@H+](CCC1CCN(C(=O)C2(C#N)CC3(CC3)C2)CC1)CC(C)C ZINC000601407153 1034500885 /nfs/dbraw/zinc/50/08/85/1034500885.db2.gz XYCLBSMSESLUKL-UHFFFAOYSA-N 1 1 345.531 3.677 20 30 EHEDMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597172457 1034563946 /nfs/dbraw/zinc/56/39/46/1034563946.db2.gz ACLWPUCFVSQKKU-INIZCTEOSA-N 1 1 326.419 3.754 20 30 EHEDMO C[C@]12COC[C@H]1C[N@@H+](Cc1cccc(OCc3cccc(C#N)c3)c1)C2 ZINC000597209408 1034594735 /nfs/dbraw/zinc/59/47/35/1034594735.db2.gz AYSDIXYIKKLRDO-IRLDBZIGSA-N 1 1 348.446 3.606 20 30 EHEDMO OCC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC000534544983 1034643613 /nfs/dbraw/zinc/64/36/13/1034643613.db2.gz FCHHFAAGVAWURR-UHFFFAOYSA-N 1 1 341.373 3.564 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605154651 1034651740 /nfs/dbraw/zinc/65/17/40/1034651740.db2.gz XHEFIHUZPMIRIZ-FUHWJXTLSA-N 1 1 332.513 3.590 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605154651 1034651746 /nfs/dbraw/zinc/65/17/46/1034651746.db2.gz XHEFIHUZPMIRIZ-FUHWJXTLSA-N 1 1 332.513 3.590 20 30 EHEDMO N#Cc1cnc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2sccc21 ZINC000601132572 1034679251 /nfs/dbraw/zinc/67/92/51/1034679251.db2.gz JTCZPFRDHBILCN-DYVFJYSZSA-N 1 1 338.480 3.621 20 30 EHEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)cc1OC ZINC000628261280 1034728873 /nfs/dbraw/zinc/72/88/73/1034728873.db2.gz PBVPTZNCQZLFIC-UKRRQHHQSA-N 1 1 339.863 3.913 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000365271267 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C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cc(C)c(F)c(F)c1)CC2 ZINC001143604842 1039955605 /nfs/dbraw/zinc/95/56/05/1039955605.db2.gz FGSZVUKUFOFXDA-HXUWFJFHSA-N 1 1 348.437 3.806 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CC1(C)C ZINC000489451717 1040006635 /nfs/dbraw/zinc/00/66/35/1040006635.db2.gz RZEINDUHUSSCAX-OAHLLOKOSA-N 1 1 331.485 3.557 20 30 EHEDMO C/C=C/C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)OCC ZINC000432906719 1040136361 /nfs/dbraw/zinc/13/63/61/1040136361.db2.gz OEOFXECVNZQDAF-MIUDPFMHSA-N 1 1 340.467 3.878 20 30 EHEDMO CCc1ccc([C@@H](C#N)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000489950809 1040252923 /nfs/dbraw/zinc/25/29/23/1040252923.db2.gz GQGUXGBKFBBLKC-AZUAARDMSA-N 1 1 339.483 3.584 20 30 EHEDMO F[C@@H]1CN[C@H](C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000666947046 1040282332 /nfs/dbraw/zinc/28/23/32/1040282332.db2.gz XGILYYQJOUBGFG-RYUDHWBXSA-N 1 1 344.274 3.514 20 30 EHEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2ccccc2Oc2ccccc2)C1=O ZINC000500007996 1040301380 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EHEDMO C[C@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512647636 1040387423 /nfs/dbraw/zinc/38/74/23/1040387423.db2.gz IXGRHXMLXBXMMX-INIZCTEOSA-N 1 1 325.431 3.870 20 30 EHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)Cc1sccc1C ZINC000490249513 1040430892 /nfs/dbraw/zinc/43/08/92/1040430892.db2.gz PWBLALRCPAIMQL-QGZVFWFLSA-N 1 1 331.481 3.657 20 30 EHEDMO C=CCCn1cc(C[N@H+]2CC[C@H](c3cc(C)c(Cl)cc3O)C2)nn1 ZINC000668678882 1040438866 /nfs/dbraw/zinc/43/88/66/1040438866.db2.gz TVJASWPLURXAND-AWEZNQCLSA-N 1 1 346.862 3.511 20 30 EHEDMO C=CCCn1cc(C[N@@H+]2CC[C@H](c3cc(C)c(Cl)cc3O)C2)nn1 ZINC000668678882 1040438876 /nfs/dbraw/zinc/43/88/76/1040438876.db2.gz TVJASWPLURXAND-AWEZNQCLSA-N 1 1 346.862 3.511 20 30 EHEDMO N#CC1(CCN2CC[NH+](CCOc3ccccc3)CC2)CCCCC1 ZINC000411158313 1040495059 /nfs/dbraw/zinc/49/50/59/1040495059.db2.gz SDRCPFBNOYZQQQ-UHFFFAOYSA-N 1 1 341.499 3.547 20 30 EHEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)cc1 ZINC000126163397 1040535905 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EHEDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599414619 1042537980 /nfs/dbraw/zinc/53/79/80/1042537980.db2.gz GVUVXNPQBNGGJL-RLLQIKCJSA-N 1 1 342.483 3.531 20 30 EHEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000093820686 1042544412 /nfs/dbraw/zinc/54/44/12/1042544412.db2.gz WMIYDJVEEVEJSK-QFIPXVFZSA-N 1 1 348.446 3.750 20 30 EHEDMO CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000343915611 1042820281 /nfs/dbraw/zinc/82/02/81/1042820281.db2.gz XAEUCHNNHWBBKV-ROUUACIJSA-N 1 1 327.472 3.834 20 30 EHEDMO CSc1ccc(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1C#N ZINC000925771994 1042828907 /nfs/dbraw/zinc/82/89/07/1042828907.db2.gz FWANSHCUONGGDP-MOPGFXCFSA-N 1 1 337.492 3.863 20 30 EHEDMO COc1ccc([C@H](C[NH+](C)C)N[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000585765648 1043029368 /nfs/dbraw/zinc/02/93/68/1043029368.db2.gz JEKOXNDHZMWJNL-VXKWHMMOSA-N 1 1 349.478 3.837 20 30 EHEDMO CC[N@@H+](CCNC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CC1 ZINC000111765973 1043300001 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COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000076152831 1125537773 /nfs/dbraw/zinc/53/77/73/1125537773.db2.gz XQKNOVMZGQMKGQ-VQTJNVASSA-N 1 1 334.419 3.745 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000076152831 1125537780 /nfs/dbraw/zinc/53/77/80/1125537780.db2.gz XQKNOVMZGQMKGQ-VQTJNVASSA-N 1 1 334.419 3.745 20 30 EHEDMO C=CCN1C(=O)c2ccccc2N[C@]12CC[N@H+](C)[C@@H](c1ccccc1)C2 ZINC000414186021 1125595663 /nfs/dbraw/zinc/59/56/63/1125595663.db2.gz OWURMJXSHCTJAH-IFMALSPDSA-N 1 1 347.462 3.904 20 30 EHEDMO C=C[C@H](CC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000620774284 1125730258 /nfs/dbraw/zinc/73/02/58/1125730258.db2.gz ZRIAFMCDZDRGJM-TZIWHRDSSA-N 1 1 334.463 3.737 20 30 EHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000155139334 1125788761 /nfs/dbraw/zinc/78/87/61/1125788761.db2.gz UGTILIIYFRAFFW-ZDUSSCGKSA-N 1 1 339.277 3.983 20 30 EHEDMO C=CC[NH+]1CCC(NCc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000172037478 1126777197 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COc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000130787467 1127892136 /nfs/dbraw/zinc/89/21/36/1127892136.db2.gz BPSNUXYWOPEBHP-UHFFFAOYSA-N 1 1 332.407 3.589 20 30 EHEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C)C1)CC(F)(F)F ZINC000186249428 1128357580 /nfs/dbraw/zinc/35/75/80/1128357580.db2.gz CVXDPMZCJZCNOL-MRXNPFEDSA-N 1 1 339.405 3.573 20 30 EHEDMO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1[N+](=O)[O-] ZINC000153639061 1128535785 /nfs/dbraw/zinc/53/57/85/1128535785.db2.gz GAFMAMFKQUDSLZ-LBPRGKRZSA-N 1 1 343.358 3.855 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1snc(Cl)c1C#N ZINC000301504420 1128594088 /nfs/dbraw/zinc/59/40/88/1128594088.db2.gz CEGDDWKAHXNDQA-DOMZBBRYSA-N 1 1 346.887 3.991 20 30 EHEDMO CC(C)C[N@H+]1CC[C@@H](CNc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000301608017 1128597940 /nfs/dbraw/zinc/59/79/40/1128597940.db2.gz OHOZNZYTDZYUNH-ZDUSSCGKSA-N 1 1 325.378 3.967 20 30 EHEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000301633780 1128600194 /nfs/dbraw/zinc/60/01/94/1128600194.db2.gz KGKAFEUUGSDCBO-ZDUSSCGKSA-N 1 1 325.378 3.745 20 30 EHEDMO Cc1ccc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)nc1C#N ZINC000302683704 1128641729 /nfs/dbraw/zinc/64/17/29/1128641729.db2.gz XPTDGOOVVUOGAL-KRWDZBQOSA-N 1 1 326.488 3.743 20 30 EHEDMO CC[C@H]1CN(c2c(C#N)cccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000302889755 1128653363 /nfs/dbraw/zinc/65/33/63/1128653363.db2.gz OZNTWGVYJRPPNY-FQEVSTJZSA-N 1 1 330.435 3.531 20 30 EHEDMO N#Cc1ccccc1N1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000303102367 1128665154 /nfs/dbraw/zinc/66/51/54/1128665154.db2.gz IBXZRBXZOTTXHT-UHFFFAOYSA-N 1 1 325.843 3.576 20 30 EHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)c1 ZINC000921744513 1128719663 /nfs/dbraw/zinc/71/96/63/1128719663.db2.gz VJULAKBAJRAFDJ-AWEZNQCLSA-N 1 1 344.846 3.911 20 30 EHEDMO CN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072733314 1128734781 /nfs/dbraw/zinc/73/47/81/1128734781.db2.gz JTTRZUXKRINFQA-FQEVSTJZSA-N 1 1 348.450 3.687 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000305093299 1128765834 /nfs/dbraw/zinc/76/58/34/1128765834.db2.gz ZEYUTLQZOCTLGU-PKOBYXMFSA-N 1 1 347.418 3.612 20 30 EHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cc2ccccc2[nH]c1=O ZINC000110108723 1128768817 /nfs/dbraw/zinc/76/88/17/1128768817.db2.gz UOIWYBYHRSJHLA-UHFFFAOYSA-N 1 1 331.419 3.810 20 30 EHEDMO Cc1cc(C)c2ncc(C#N)c(N3CC[C@]4(C3)CCC[N@H+](C)C4)c2c1 ZINC000338745979 1128823331 /nfs/dbraw/zinc/82/33/31/1128823331.db2.gz PEVDFVNHVLOORM-OAQYLSRUSA-N 1 1 334.467 3.645 20 30 EHEDMO N#Cc1nc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000111217900 1128852149 /nfs/dbraw/zinc/85/21/49/1128852149.db2.gz NHHRGIGNPVCFAM-OAHLLOKOSA-N 1 1 326.831 3.683 20 30 EHEDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)nc1 ZINC000253146625 1128872349 /nfs/dbraw/zinc/87/23/49/1128872349.db2.gz YPRVCHSACNHXNU-VQIMIIECSA-N 1 1 348.450 3.673 20 30 EHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)cc2c1OCOC2 ZINC000063750895 1128896293 /nfs/dbraw/zinc/89/62/93/1128896293.db2.gz GQQQEVLDKSHHEU-UHFFFAOYSA-N 1 1 340.398 3.974 20 30 EHEDMO COc1ccc(C)cc1C[NH2+]Cc1cc(C#N)ccc1Br ZINC001648951032 1120252170 /nfs/dbraw/zinc/25/21/70/1120252170.db2.gz LWXQSVAAKHAQBG-UHFFFAOYSA-N 1 1 345.240 3.928 20 30 EHEDMO N#Cc1ccc(Br)c(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC001649009794 1120358070 /nfs/dbraw/zinc/35/80/70/1120358070.db2.gz JYRSBVLPTMUJQH-UHFFFAOYSA-N 1 1 343.224 3.545 20 30 EHEDMO C=CC[N@H+](Cc1cc(-c2cnn(C)c2C)no1)CC1CCCCC1 ZINC000184548236 1120379804 /nfs/dbraw/zinc/37/98/04/1120379804.db2.gz UEZWGRQOGZVQJZ-UHFFFAOYSA-N 1 1 328.460 3.952 20 30 EHEDMO C[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000008489133 1128924194 /nfs/dbraw/zinc/92/41/94/1128924194.db2.gz UVHOUXIPYJUGON-CYBMUJFWSA-N 1 1 331.485 3.559 20 30 EHEDMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000008489133 1128924197 /nfs/dbraw/zinc/92/41/97/1128924197.db2.gz UVHOUXIPYJUGON-CYBMUJFWSA-N 1 1 331.485 3.559 20 30 EHEDMO Fc1ccc(OC2CC[NH+](CC#Cc3ccccc3)CC2)c(F)c1 ZINC000191947389 1120703237 /nfs/dbraw/zinc/70/32/37/1120703237.db2.gz XIERSJWCOSLZIK-UHFFFAOYSA-N 1 1 327.374 3.860 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000494711223 1120738302 /nfs/dbraw/zinc/73/83/02/1120738302.db2.gz NWNYEFLDLVOMQF-CVEARBPZSA-N 1 1 333.476 3.544 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@H+]1CC1(C#N)CC1 ZINC000494711223 1120738305 /nfs/dbraw/zinc/73/83/05/1120738305.db2.gz NWNYEFLDLVOMQF-CVEARBPZSA-N 1 1 333.476 3.544 20 30 EHEDMO C=CC[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000494998945 1120925842 /nfs/dbraw/zinc/92/58/42/1120925842.db2.gz NKHYAHVEGVHXNO-WSTZPKSXSA-N 1 1 328.500 3.831 20 30 EHEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNc2cccc(C#N)c2)c1C ZINC000914695070 1120953125 /nfs/dbraw/zinc/95/31/25/1120953125.db2.gz CVUMKHVVUZNMLO-OAQYLSRUSA-N 1 1 349.482 3.907 20 30 EHEDMO N#Cc1cnc2ccccc2c1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310626364 1128954079 /nfs/dbraw/zinc/95/40/79/1128954079.db2.gz CYBVMPBYUCEZHW-SFHVURJKSA-N 1 1 328.419 3.793 20 30 EHEDMO CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000915218596 1121258724 /nfs/dbraw/zinc/25/87/24/1121258724.db2.gz YSUFUXKXQLGGDO-ZWKOTPCHSA-N 1 1 327.472 3.752 20 30 EHEDMO CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000915218595 1121258932 /nfs/dbraw/zinc/25/89/32/1121258932.db2.gz YSUFUXKXQLGGDO-ROUUACIJSA-N 1 1 327.472 3.752 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(C#N)c(C)c1 ZINC000487927770 1121269936 /nfs/dbraw/zinc/26/99/36/1121269936.db2.gz GUICMJYDQGZNIE-UHFFFAOYSA-N 1 1 335.451 3.591 20 30 EHEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@@H](C)Cc1cccc(F)c1)CCO2 ZINC001168490432 1121312796 /nfs/dbraw/zinc/31/27/96/1121312796.db2.gz XBRVWFHOILHSMJ-FBBABVLZSA-N 1 1 347.474 3.830 20 30 EHEDMO CCOc1ccccc1N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000487959925 1121362106 /nfs/dbraw/zinc/36/21/06/1121362106.db2.gz SLFLYXKEXOWYMX-QGZVFWFLSA-N 1 1 335.451 3.840 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495782880 1121425807 /nfs/dbraw/zinc/42/58/07/1121425807.db2.gz ACCOBWOFHCZAOL-YWZLYKJASA-N 1 1 343.471 3.856 20 30 EHEDMO C=CCSc1nc2ccccc2n1CN1CC[N@H+](C)C[C@@H]1C(C)C ZINC000153629975 1121534569 /nfs/dbraw/zinc/53/45/69/1121534569.db2.gz GTSFEIYNVUJSQV-GOSISDBHSA-N 1 1 344.528 3.544 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CCN(C)C[C@@H]1C(C)C ZINC000153629975 1121534576 /nfs/dbraw/zinc/53/45/76/1121534576.db2.gz GTSFEIYNVUJSQV-GOSISDBHSA-N 1 1 344.528 3.544 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCN(C)C[C@@H]1C(C)C ZINC000153629975 1121534581 /nfs/dbraw/zinc/53/45/81/1121534581.db2.gz GTSFEIYNVUJSQV-GOSISDBHSA-N 1 1 344.528 3.544 20 30 EHEDMO CC[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000193758280 1121620544 /nfs/dbraw/zinc/62/05/44/1121620544.db2.gz QZODDONNZQOQMO-ORAYPTAESA-N 1 1 330.378 3.953 20 30 EHEDMO C[NH+](C)CCOc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1 ZINC000915933609 1121993179 /nfs/dbraw/zinc/99/31/79/1121993179.db2.gz FBXLKVKJYRTTSI-UHFFFAOYSA-N 1 1 340.452 3.683 20 30 EHEDMO Cc1nc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)ccc1C#N ZINC000488077518 1122052106 /nfs/dbraw/zinc/05/21/06/1122052106.db2.gz GRLJMQFOOVGLSM-MRXNPFEDSA-N 1 1 326.488 3.743 20 30 EHEDMO Cc1nc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)ccc1C#N ZINC000488077517 1122052505 /nfs/dbraw/zinc/05/25/05/1122052505.db2.gz GRLJMQFOOVGLSM-INIZCTEOSA-N 1 1 326.488 3.743 20 30 EHEDMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1ccccc1C#N ZINC000496482568 1122096460 /nfs/dbraw/zinc/09/64/60/1122096460.db2.gz VFHSINYVAXIWHR-HNNXBMFYSA-N 1 1 335.407 3.708 20 30 EHEDMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1ccccc1C#N ZINC000496482568 1122096468 /nfs/dbraw/zinc/09/64/68/1122096468.db2.gz VFHSINYVAXIWHR-HNNXBMFYSA-N 1 1 335.407 3.708 20 30 EHEDMO CCN(CCO)c1ccc(C=[NH+]Nc2cccc(Cl)c2)c(C)c1 ZINC000916269534 1122113230 /nfs/dbraw/zinc/11/32/30/1122113230.db2.gz WAYBEWFBTRGZSJ-UHFFFAOYSA-N 1 1 331.847 3.913 20 30 EHEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000496663376 1122146005 /nfs/dbraw/zinc/14/60/05/1122146005.db2.gz WEVGXRKWHJHEMI-CRAIPNDOSA-N 1 1 343.471 3.630 20 30 EHEDMO CC[N@@H+](Cc1cccc(Cl)c1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000154017226 1122171793 /nfs/dbraw/zinc/17/17/93/1122171793.db2.gz KWZYGJKEMQUUBF-KDOFPFPSSA-N 1 1 335.879 3.605 20 30 EHEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763402871 1122228050 /nfs/dbraw/zinc/22/80/50/1122228050.db2.gz KUOPSWJCJZVXMS-VQTJNVASSA-N 1 1 336.435 3.827 20 30 EHEDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000763395960 1122229416 /nfs/dbraw/zinc/22/94/16/1122229416.db2.gz MGHCDYLAMBNTTL-NRFANRHFSA-N 1 1 337.467 3.570 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)ccc1OC ZINC000497264530 1122428020 /nfs/dbraw/zinc/42/80/20/1122428020.db2.gz XLQCMPCUMWNXMM-MSOLQXFVSA-N 1 1 333.472 3.633 20 30 EHEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)CCCC2(C#N)CCOCC2)cc1 ZINC000499596060 1129062350 /nfs/dbraw/zinc/06/23/50/1129062350.db2.gz XJMQTBHSONUDJJ-GOSISDBHSA-N 1 1 344.499 3.906 20 30 EHEDMO C(=[NH+]Nc1cccc2c1CCCC2)c1ccc(N2CCOCC2)cc1 ZINC000917553340 1122635281 /nfs/dbraw/zinc/63/52/81/1122635281.db2.gz WAYIZRIJKGGEIH-UHFFFAOYSA-N 1 1 335.451 3.848 20 30 EHEDMO COC(=O)Cc1ccccc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000154739594 1122823468 /nfs/dbraw/zinc/82/34/68/1122823468.db2.gz RGFXOVUQQXSKOP-SFTDATJTSA-N 1 1 348.446 3.674 20 30 EHEDMO CC[N@@H+](C[C@H](C)C#N)C[C@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000064248912 1122847320 /nfs/dbraw/zinc/84/73/20/1122847320.db2.gz NRGGPGBCRDMZTB-QAPCUYQASA-N 1 1 332.488 3.514 20 30 EHEDMO CC[N@H+](C[C@H](C)C#N)C[C@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000064248912 1122847326 /nfs/dbraw/zinc/84/73/26/1122847326.db2.gz NRGGPGBCRDMZTB-QAPCUYQASA-N 1 1 332.488 3.514 20 30 EHEDMO CC[N@H+](CC(=O)Nc1cccnc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000918739581 1122903067 /nfs/dbraw/zinc/90/30/67/1122903067.db2.gz QGZGVNJMSFYGCL-ZDUSSCGKSA-N 1 1 342.830 3.628 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1cccnc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000918739581 1122903070 /nfs/dbraw/zinc/90/30/70/1122903070.db2.gz QGZGVNJMSFYGCL-ZDUSSCGKSA-N 1 1 342.830 3.628 20 30 EHEDMO CCN(CC)c1ccc(C[N@@H+](C)CCOc2ccccc2C#N)cc1 ZINC000918764094 1122909483 /nfs/dbraw/zinc/90/94/83/1122909483.db2.gz VNLYXOQWYBGWSQ-UHFFFAOYSA-N 1 1 337.467 3.915 20 30 EHEDMO C=CCC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000130971211 1123027626 /nfs/dbraw/zinc/02/76/26/1123027626.db2.gz BTQOTCWPWPGATR-WDSOQIARSA-N 1 1 329.488 3.818 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)OCCCC(C)(C)C#N ZINC000923846765 1123138036 /nfs/dbraw/zinc/13/80/36/1123138036.db2.gz KOFLDJRCAGOQPZ-WMZOPIPTSA-N 1 1 328.456 3.628 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c1O ZINC000919939712 1123239568 /nfs/dbraw/zinc/23/95/68/1123239568.db2.gz HKRDOCONKKVVPR-MOPGFXCFSA-N 1 1 331.456 3.663 20 30 EHEDMO COc1ccc(O)c(/C=N/C[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000921261094 1123500878 /nfs/dbraw/zinc/50/08/78/1123500878.db2.gz MIEYUMNBMFGUEY-VZMFNRANSA-N 1 1 338.451 3.874 20 30 EHEDMO N#CC1(c2ccc(Nc3cccc(C[NH+]4CCOCC4)c3)cc2)CC1 ZINC001212255501 1123536085 /nfs/dbraw/zinc/53/60/85/1123536085.db2.gz BWYUWTZVMDZESV-UHFFFAOYSA-N 1 1 333.435 3.818 20 30 EHEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000134626488 1123538293 /nfs/dbraw/zinc/53/82/93/1123538293.db2.gz GQQJPPDHDMVZLU-YJBOKZPZSA-N 1 1 346.446 3.555 20 30 EHEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000134626488 1123538297 /nfs/dbraw/zinc/53/82/97/1123538297.db2.gz GQQJPPDHDMVZLU-YJBOKZPZSA-N 1 1 346.446 3.555 20 30 EHEDMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000078369993 1123624298 /nfs/dbraw/zinc/62/42/98/1123624298.db2.gz KCTLMKBCGNFWPN-UHFFFAOYSA-N 1 1 340.471 3.716 20 30 EHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1cc(C#N)c2ccccc2n1 ZINC000609891789 1123687882 /nfs/dbraw/zinc/68/78/82/1123687882.db2.gz QQSWQYOKNIIZNV-UHFFFAOYSA-N 1 1 344.462 3.981 20 30 EHEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000610001819 1123710937 /nfs/dbraw/zinc/71/09/37/1123710937.db2.gz BWEMYVUOADTPDC-PKOBYXMFSA-N 1 1 327.472 3.834 20 30 EHEDMO CCc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)o1 ZINC000610079121 1123727704 /nfs/dbraw/zinc/72/77/04/1123727704.db2.gz IDRRUSGFMSHOBM-FXAWDEMLSA-N 1 1 345.487 3.814 20 30 EHEDMO CCc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)o1 ZINC000610079121 1123727706 /nfs/dbraw/zinc/72/77/06/1123727706.db2.gz IDRRUSGFMSHOBM-FXAWDEMLSA-N 1 1 345.487 3.814 20 30 EHEDMO C=CCOc1ccc(C[NH2+][C@H](COC)c2ccc(C)o2)cc1OC ZINC000080238724 1123747947 /nfs/dbraw/zinc/74/79/47/1123747947.db2.gz YXBIUYYFWDHIOJ-MRXNPFEDSA-N 1 1 331.412 3.639 20 30 EHEDMO C[C@H](CNCc1cccc(OCCCC#N)c1)C[NH+]1CCCCC1 ZINC000237550678 1123767346 /nfs/dbraw/zinc/76/73/46/1123767346.db2.gz LVKPBFDXIUCIFK-GOSISDBHSA-N 1 1 329.488 3.581 20 30 EHEDMO N#CCC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC1CC1 ZINC000081044467 1123772984 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EHEDMO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](CC1CCCCC1)CC2 ZINC001201388726 1136015306 /nfs/dbraw/zinc/01/53/06/1136015306.db2.gz DZUFKRJCWLESFL-UHFFFAOYSA-N 1 1 343.515 3.934 20 30 EHEDMO CCCCCCCCCCC[N@H+]1CC[C@H]2O[C@@H](C(=O)N(C)C)C[C@H]21 ZINC001201630626 1136044753 /nfs/dbraw/zinc/04/47/53/1136044753.db2.gz CXHAAEZAUWVTMB-GUDVDZBRSA-N 1 1 338.536 3.837 20 30 EHEDMO CCCCCCC[N@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001201776941 1136065688 /nfs/dbraw/zinc/06/56/88/1136065688.db2.gz PPJVGVGWLUYYQB-IPMKNSEASA-N 1 1 332.488 3.910 20 30 EHEDMO CCCCCCCC[N@H+]1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1 ZINC001201826496 1136067718 /nfs/dbraw/zinc/06/77/18/1136067718.db2.gz YADQFHZITQTMDS-PZJWPPBQSA-N 1 1 328.500 3.953 20 30 EHEDMO CCCCCCCCC[N@@H+]1Cc2nnn(CC)c2[C@@H](COCC)C1 ZINC001201840165 1136069420 /nfs/dbraw/zinc/06/94/20/1136069420.db2.gz VZUIPXPNYKSWQN-QGZVFWFLSA-N 1 1 336.524 3.984 20 30 EHEDMO CSC1(C/N=C/c2cc(Cl)cc(Cl)c2O)CC[NH+](C)CC1 ZINC000811625503 1136110661 /nfs/dbraw/zinc/11/06/61/1136110661.db2.gz OLOMEZVGARYBCH-GIJQJNRQSA-N 1 1 347.311 3.945 20 30 EHEDMO CCCC(N)=[NH+]OCc1coc(-c2ccc(Br)cc2)n1 ZINC000105605819 1136181543 /nfs/dbraw/zinc/18/15/43/1136181543.db2.gz AUHSFNOKOAMECX-UHFFFAOYSA-N 1 1 338.205 3.693 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC000812769730 1136248338 /nfs/dbraw/zinc/24/83/38/1136248338.db2.gz UTYRYQCOTOMRMR-UHFFFAOYSA-N 1 1 340.467 3.643 20 30 EHEDMO C#CCCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001133453946 1136252011 /nfs/dbraw/zinc/25/20/11/1136252011.db2.gz SSQRERJCAOPHIP-IRLDBZIGSA-N 1 1 338.495 3.551 20 30 EHEDMO C=CC[NH+](CC=C)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@H]1O ZINC000851726792 1136401790 /nfs/dbraw/zinc/40/17/90/1136401790.db2.gz WMIVSNNUDUJRMP-QZTJIDSGSA-N 1 1 344.455 3.518 20 30 EHEDMO C#CC[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)Cc1ccccc1 ZINC000852046394 1136429099 /nfs/dbraw/zinc/42/90/99/1136429099.db2.gz RXJUGZUMSXWGJQ-IBGZPJMESA-N 1 1 336.460 3.625 20 30 EHEDMO C#C[C@](C)(CC)[NH2+]Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000852098572 1136433055 /nfs/dbraw/zinc/43/30/55/1136433055.db2.gz QGYWDVISJGYZQY-GOSISDBHSA-N 1 1 330.453 3.719 20 30 EHEDMO C#C[C@](C)(CC)[NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000852101171 1136433460 /nfs/dbraw/zinc/43/34/60/1136433460.db2.gz NLYRXGRNNZTFEJ-LJQANCHMSA-N 1 1 337.448 3.955 20 30 EHEDMO C=C(Br)C[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000852190718 1136438871 /nfs/dbraw/zinc/43/88/71/1136438871.db2.gz FGYDQBPAWKFYDB-UHFFFAOYSA-N 1 1 334.261 3.726 20 30 EHEDMO Cc1cc(C[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)ccc1N(C)C ZINC000852333299 1136449776 /nfs/dbraw/zinc/44/97/76/1136449776.db2.gz JMWYYJHJBNHAHC-NRFANRHFSA-N 1 1 334.467 3.513 20 30 EHEDMO Cc1cc(C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)ccc1N(C)C ZINC000852333299 1136449781 /nfs/dbraw/zinc/44/97/81/1136449781.db2.gz JMWYYJHJBNHAHC-NRFANRHFSA-N 1 1 334.467 3.513 20 30 EHEDMO Cc1cc(C[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)ccc1N(C)C ZINC000852333300 1136450233 /nfs/dbraw/zinc/45/02/33/1136450233.db2.gz JMWYYJHJBNHAHC-OAQYLSRUSA-N 1 1 334.467 3.513 20 30 EHEDMO Cc1cc(C[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)ccc1N(C)C ZINC000852333300 1136450234 /nfs/dbraw/zinc/45/02/34/1136450234.db2.gz JMWYYJHJBNHAHC-OAQYLSRUSA-N 1 1 334.467 3.513 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3ccc(Cl)c(Cl)c3C2)cc1 ZINC000852406628 1136454326 /nfs/dbraw/zinc/45/43/26/1136454326.db2.gz RKEPMHPZFXLDBC-KRWDZBQOSA-N 1 1 347.245 3.957 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3ccc(Cl)c(Cl)c3C2)cc1 ZINC000852406628 1136454328 /nfs/dbraw/zinc/45/43/28/1136454328.db2.gz RKEPMHPZFXLDBC-KRWDZBQOSA-N 1 1 347.245 3.957 20 30 EHEDMO C[N@@H+](C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)CC(C)(C)C#N ZINC000814670223 1136492198 /nfs/dbraw/zinc/49/21/98/1136492198.db2.gz XDBWRDSRRDFBDV-WKILWMFISA-N 1 1 337.508 3.799 20 30 EHEDMO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cc(O)ccc1Cl ZINC001170770064 1136521334 /nfs/dbraw/zinc/52/13/34/1136521334.db2.gz XUJITDBGACBXNE-UHFFFAOYSA-N 1 1 330.815 3.566 20 30 EHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cc(O)ccc1Cl ZINC001170770064 1136521337 /nfs/dbraw/zinc/52/13/37/1136521337.db2.gz XUJITDBGACBXNE-UHFFFAOYSA-N 1 1 330.815 3.566 20 30 EHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNCc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000111390974 1136540154 /nfs/dbraw/zinc/54/01/54/1136540154.db2.gz UBZRYYJSFMIMAA-ROUUACIJSA-N 1 1 343.515 3.968 20 30 EHEDMO CC[C@H]1CCCN(C(C)(C)C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000111390974 1136540156 /nfs/dbraw/zinc/54/01/56/1136540156.db2.gz UBZRYYJSFMIMAA-ROUUACIJSA-N 1 1 343.515 3.968 20 30 EHEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000815061133 1136545516 /nfs/dbraw/zinc/54/55/16/1136545516.db2.gz KDFJEPCDMAHUQW-OAHLLOKOSA-N 1 1 325.884 3.840 20 30 EHEDMO N#Cc1cc(F)ccc1COC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000815445238 1136596359 /nfs/dbraw/zinc/59/63/59/1136596359.db2.gz VBBZIGLBHWWFDZ-GOSISDBHSA-N 1 1 330.403 3.538 20 30 EHEDMO Cc1ccn(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c(=O)c1C#N ZINC000776774732 1136661043 /nfs/dbraw/zinc/66/10/43/1136661043.db2.gz MTSIJUKJWGDNJU-CEWLAPEOSA-N 1 1 347.462 3.644 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)c1cc(C#N)cs1 ZINC000816455018 1136717915 /nfs/dbraw/zinc/71/79/15/1136717915.db2.gz MCADXKBGGWHMHU-YOEHRIQHSA-N 1 1 340.448 3.687 20 30 EHEDMO Cc1oc(C#N)cc1C(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000816469114 1136720073 /nfs/dbraw/zinc/72/00/73/1136720073.db2.gz SNZYBMNEJQWOBM-IFXJQAMLSA-N 1 1 338.407 3.670 20 30 EHEDMO C[C@H]1[C@@H](OC(=O)c2ccc(C#N)s2)CCC[N@H+]1Cc1ccccc1 ZINC000816470724 1136725497 /nfs/dbraw/zinc/72/54/97/1136725497.db2.gz RICLYBCHFOBGTK-YOEHRIQHSA-N 1 1 340.448 3.830 20 30 EHEDMO C=CC[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccncc1 ZINC000817893976 1136844267 /nfs/dbraw/zinc/84/42/67/1136844267.db2.gz JZEWEFWQYPECFN-ZJOUEHCJSA-N 1 1 335.451 3.544 20 30 EHEDMO C[C@H](NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)c1cccc(C#N)c1 ZINC000857142522 1136847645 /nfs/dbraw/zinc/84/76/45/1136847645.db2.gz WBUAWFOMGQVHSA-KKSFZXQISA-N 1 1 347.462 3.858 20 30 EHEDMO C=CC[C@H]1CCCN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857308532 1136862099 /nfs/dbraw/zinc/86/20/99/1136862099.db2.gz AXKVFSHWSMYWQL-FXAWDEMLSA-N 1 1 326.484 3.924 20 30 EHEDMO C=CCCCCC[N@@H+]1CCn2c(Cc3cccc(F)c3F)nnc2C1 ZINC000857959021 1136925863 /nfs/dbraw/zinc/92/58/63/1136925863.db2.gz AUWARIYFLGDMIG-UHFFFAOYSA-N 1 1 346.425 3.709 20 30 EHEDMO C=CCCCCC[N@H+]1CCn2c(Cc3cccc(F)c3F)nnc2C1 ZINC000857959021 1136925865 /nfs/dbraw/zinc/92/58/65/1136925865.db2.gz AUWARIYFLGDMIG-UHFFFAOYSA-N 1 1 346.425 3.709 20 30 EHEDMO C#CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858017185 1136932434 /nfs/dbraw/zinc/93/24/34/1136932434.db2.gz VLZLUEPZZHUGOE-OAQYLSRUSA-N 1 1 348.446 3.624 20 30 EHEDMO Cn1cc(C[NH2+][C@H](CCCC#N)c2ccccc2)c(Br)n1 ZINC000858168920 1136946045 /nfs/dbraw/zinc/94/60/45/1136946045.db2.gz HWUHJTALIACQCT-OAHLLOKOSA-N 1 1 347.260 3.707 20 30 EHEDMO C#CCCc1noc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)n1 ZINC000858688737 1136986785 /nfs/dbraw/zinc/98/67/85/1136986785.db2.gz NLWIWMAIBKDVGN-RTBURBONSA-N 1 1 337.467 3.897 20 30 EHEDMO C=CCC1(C(=O)O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000820577712 1136997896 /nfs/dbraw/zinc/99/78/96/1136997896.db2.gz JDMOMJJCESQNNU-IBGZPJMESA-N 1 1 343.467 3.567 20 30 EHEDMO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000859445069 1137014978 /nfs/dbraw/zinc/01/49/78/1137014978.db2.gz KQLOOAJFKDLEPA-KRWDZBQOSA-N 1 1 327.472 3.513 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@@H](C(=O)OC)C(F)(F)F)cc1 ZINC001171015519 1137097829 /nfs/dbraw/zinc/09/78/29/1137097829.db2.gz ODHBYSRLXOJJQL-GJZGRUSLSA-N 1 1 342.361 3.525 20 30 EHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccnc(Cl)c2F)c1 ZINC000823887657 1137118742 /nfs/dbraw/zinc/11/87/42/1137118742.db2.gz MVONSUWYYXNEFN-AWEZNQCLSA-N 1 1 333.794 3.845 20 30 EHEDMO C=CC[C@H]1CC[N@H+](Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC000862441592 1137144848 /nfs/dbraw/zinc/14/48/48/1137144848.db2.gz UIFFYTFVZKDAPA-LBPRGKRZSA-N 1 1 325.811 3.923 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000862445485 1137145276 /nfs/dbraw/zinc/14/52/76/1137145276.db2.gz VCYDWEVXSMAVFR-OAHLLOKOSA-N 1 1 347.384 3.795 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)cc1 ZINC000862482398 1137146219 /nfs/dbraw/zinc/14/62/19/1137146219.db2.gz HPQFIRZEBKKHAA-JOCHJYFZSA-N 1 1 349.478 3.520 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(Cl)cn1)[C@H]2CC ZINC001136926362 1137149672 /nfs/dbraw/zinc/14/96/72/1137149672.db2.gz CQMPCBFVDNNCBP-HKUYNNGSSA-N 1 1 347.890 3.657 20 30 EHEDMO CCCCCOc1ccc(C[NH+]2CCC(C#N)(C(=O)OC)CC2)cc1 ZINC000824861027 1137154930 /nfs/dbraw/zinc/15/49/30/1137154930.db2.gz DHZDRCIKOUWXBV-UHFFFAOYSA-N 1 1 344.455 3.534 20 30 EHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1 ZINC000825024488 1137162210 /nfs/dbraw/zinc/16/22/10/1137162210.db2.gz PVOHZNCDHCLOMY-QUCCMNQESA-N 1 1 343.467 3.759 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)cc1 ZINC000825023173 1137162241 /nfs/dbraw/zinc/16/22/41/1137162241.db2.gz AFHKCSPELFERPN-QUCCMNQESA-N 1 1 343.467 3.759 20 30 EHEDMO C[N@@H+]1CCC(=NNC23CC(C2)C3)C[C@H]1c1ccc(Br)cc1 ZINC000863122453 1137170726 /nfs/dbraw/zinc/17/07/26/1137170726.db2.gz GXUWNSSXENUFTE-PDOTXMHQSA-N 1 1 348.288 3.714 20 30 EHEDMO C[N@H+]1CCC(=NNC23CC(C2)C3)C[C@H]1c1ccc(Br)cc1 ZINC000863122453 1137170727 /nfs/dbraw/zinc/17/07/27/1137170727.db2.gz GXUWNSSXENUFTE-PDOTXMHQSA-N 1 1 348.288 3.714 20 30 EHEDMO C=CC[NH+]1CCN(Cc2ccc(Cl)c(OC(F)(F)F)c2)CC1 ZINC001143357843 1137182218 /nfs/dbraw/zinc/18/22/18/1137182218.db2.gz OUSOJQSSXSTUAG-UHFFFAOYSA-N 1 1 334.769 3.542 20 30 EHEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cc(F)cc(F)c1C)CC2 ZINC001143764290 1137196735 /nfs/dbraw/zinc/19/67/35/1137196735.db2.gz VYIPVVNUOBPUHJ-HXUWFJFHSA-N 1 1 348.437 3.806 20 30 EHEDMO N#Cc1ccc(Br)c(CNc2ccc3[nH]c[nH+]c3c2)c1 ZINC000864034799 1137212743 /nfs/dbraw/zinc/21/27/43/1137212743.db2.gz AFGOFLXHJHFERI-UHFFFAOYSA-N 1 1 327.185 3.809 20 30 EHEDMO C[C@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CCc2ccc(Cl)cc21 ZINC000844395821 1137216989 /nfs/dbraw/zinc/21/69/89/1137216989.db2.gz DWAKPDVKJVHEBE-XOBRGWDASA-N 1 1 340.854 3.907 20 30 EHEDMO C=CC[C@@H](C)C(=O)N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001144012242 1137228415 /nfs/dbraw/zinc/22/84/15/1137228415.db2.gz CUVIZFQPMZDIKF-OAHLLOKOSA-N 1 1 347.528 3.621 20 30 EHEDMO C#Cc1cccc(NC(=S)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000844593126 1137238159 /nfs/dbraw/zinc/23/81/59/1137238159.db2.gz CZJUUWLSEHJMIE-NRFANRHFSA-N 1 1 349.503 3.619 20 30 EHEDMO C=C[C@H](C)O[NH+]=Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000844623615 1137240538 /nfs/dbraw/zinc/24/05/38/1137240538.db2.gz OOFBBULLQXRXRM-AWEZNQCLSA-N 1 1 343.452 3.572 20 30 EHEDMO CCOc1ccc(O)c(/C=N/C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000794833669 1137271841 /nfs/dbraw/zinc/27/18/41/1137271841.db2.gz OTNNFWIDZAGIHZ-SDLXJUDFSA-N 1 1 338.451 3.732 20 30 EHEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccnc1Br ZINC000865606129 1137298082 /nfs/dbraw/zinc/29/80/82/1137298082.db2.gz QLZOERGFXRHDCR-MRXNPFEDSA-N 1 1 342.240 3.883 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@](C)(CNC(=O)OC(C)(C)C)C2)cc1 ZINC001144581555 1137311353 /nfs/dbraw/zinc/31/13/53/1137311353.db2.gz WMJLEUFAKXJROM-NRFANRHFSA-N 1 1 342.483 3.795 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)CC[C@@H]2C)cc1 ZINC001144568343 1137311499 /nfs/dbraw/zinc/31/14/99/1137311499.db2.gz RJPYOPXZTSJDQB-LPHOPBHVSA-N 1 1 342.483 3.793 20 30 EHEDMO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)Cc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC001171210357 1137332147 /nfs/dbraw/zinc/33/21/47/1137332147.db2.gz SXTBRDXKSVKPLR-HBGVWJBISA-N 1 1 348.446 3.725 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1CC(=O)OC(C)(C)C ZINC001171229355 1137354389 /nfs/dbraw/zinc/35/43/89/1137354389.db2.gz MOYLFHFEVDJJBN-CRAIPNDOSA-N 1 1 328.456 3.685 20 30 EHEDMO Cc1cccc(O[C@H]2CCC[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)n1 ZINC001171231157 1137355103 /nfs/dbraw/zinc/35/51/03/1137355103.db2.gz HNLKMCQYOVJNNZ-PXNSSMCTSA-N 1 1 335.451 3.736 20 30 EHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1c(F)cccc1F ZINC000123202234 1137501130 /nfs/dbraw/zinc/50/11/30/1137501130.db2.gz BXJMCAZHAZWTKA-GOSISDBHSA-N 1 1 330.378 3.780 20 30 EHEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)CCc2ccc(C)cc2)C1 ZINC001171682428 1137503764 /nfs/dbraw/zinc/50/37/64/1137503764.db2.gz VFWPPFKERVJPDN-PKOBYXMFSA-N 1 1 330.472 3.693 20 30 EHEDMO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001171791195 1137512634 /nfs/dbraw/zinc/51/26/34/1137512634.db2.gz CNQNBICERWLLEJ-BEFAXECRSA-N 1 1 347.418 3.940 20 30 EHEDMO C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001171791195 1137512635 /nfs/dbraw/zinc/51/26/35/1137512635.db2.gz CNQNBICERWLLEJ-BEFAXECRSA-N 1 1 347.418 3.940 20 30 EHEDMO N#Cc1cccc(O[C@H]2CCC[N@H+]([C@@H]3Cc4cccc(F)c4C3)C2)c1 ZINC001171806745 1137513982 /nfs/dbraw/zinc/51/39/82/1137513982.db2.gz JXGJARNOZLBIMY-MJGOQNOKSA-N 1 1 336.410 3.708 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001172310899 1137546068 /nfs/dbraw/zinc/54/60/68/1137546068.db2.gz LGZVYDJANVHPPN-XOBRGWDASA-N 1 1 342.389 3.841 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001172310899 1137546069 /nfs/dbraw/zinc/54/60/69/1137546069.db2.gz LGZVYDJANVHPPN-XOBRGWDASA-N 1 1 342.389 3.841 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(N)(c2ccccc2F)CC1 ZINC001172298731 1137548996 /nfs/dbraw/zinc/54/89/96/1137548996.db2.gz FMSRPKRIAZHJEI-MRXNPFEDSA-N 1 1 337.442 3.578 20 30 EHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(OCCC)c(OC)c2)no1 ZINC000872173446 1137575233 /nfs/dbraw/zinc/57/52/33/1137575233.db2.gz UIUBCQGPIKFUDI-GFCCVEGCSA-N 1 1 337.807 3.676 20 30 EHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@@H](OC)c2ccccc2Cl)no1 ZINC000872178927 1137575372 /nfs/dbraw/zinc/57/53/72/1137575372.db2.gz WAFABHNSAVJUKA-NEPJUHHUSA-N 1 1 328.199 3.601 20 30 EHEDMO COc1cc(C[NH2+]Cc2cccc(F)c2C#N)ccc1OC(C)C ZINC000873011415 1137587948 /nfs/dbraw/zinc/58/79/48/1137587948.db2.gz XZBGDVXEMHIVBA-UHFFFAOYSA-N 1 1 328.387 3.783 20 30 EHEDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(C#N)c(OC)c3)c2C1 ZINC000825652237 1137589885 /nfs/dbraw/zinc/58/98/85/1137589885.db2.gz PQSGZOMUIFPTFI-UHFFFAOYSA-N 1 1 335.407 3.545 20 30 EHEDMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(C#N)c(OC)c3)c2C1 ZINC000825652237 1137589886 /nfs/dbraw/zinc/58/98/86/1137589886.db2.gz PQSGZOMUIFPTFI-UHFFFAOYSA-N 1 1 335.407 3.545 20 30 EHEDMO N#CCc1ccc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)cc1 ZINC000876204979 1137646098 /nfs/dbraw/zinc/64/60/98/1137646098.db2.gz HUDHCVULTGVXAA-IBGZPJMESA-N 1 1 340.471 3.671 20 30 EHEDMO C#C[C@@H]([NH2+][C@H](COC)CC1CCOCC1)c1ccc(Cl)cc1F ZINC000825886905 1137655962 /nfs/dbraw/zinc/65/59/62/1137655962.db2.gz RRIPMYGSVWURNI-MAUKXSAKSA-N 1 1 339.838 3.575 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC000876663540 1137658579 /nfs/dbraw/zinc/65/85/79/1137658579.db2.gz XIFPRFJXOCGHEM-ZWKOTPCHSA-N 1 1 341.842 3.695 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC000876663540 1137658580 /nfs/dbraw/zinc/65/85/80/1137658580.db2.gz XIFPRFJXOCGHEM-ZWKOTPCHSA-N 1 1 341.842 3.695 20 30 EHEDMO C#C[C@H]([NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)c1ccc(Cl)cc1 ZINC000825948410 1137673334 /nfs/dbraw/zinc/67/33/34/1137673334.db2.gz BDPPFGSUWXWVJP-PMACEKPBSA-N 1 1 341.838 3.972 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(Cl)cc1 ZINC000825948413 1137673347 /nfs/dbraw/zinc/67/33/47/1137673347.db2.gz BDPPFGSUWXWVJP-WOJBJXKFSA-N 1 1 341.838 3.972 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000877533504 1137680224 /nfs/dbraw/zinc/68/02/24/1137680224.db2.gz PKFXBQGZZZPWGN-VQIMIIECSA-N 1 1 335.492 3.649 20 30 EHEDMO CC(C)(CO)[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1cccs1 ZINC000877575905 1137681784 /nfs/dbraw/zinc/68/17/84/1137681784.db2.gz CBXLGBDYTYQMIQ-CQSZACIVSA-N 1 1 335.860 3.518 20 30 EHEDMO CC(=O)Nc1cccc2c1C[N@H+](Cc1ccc(C3(C#N)CC3)cc1)CC2 ZINC000877680931 1137685498 /nfs/dbraw/zinc/68/54/98/1137685498.db2.gz BDVNOBUUCRKASN-UHFFFAOYSA-N 1 1 345.446 3.758 20 30 EHEDMO CC(=O)Nc1cccc2c1C[N@@H+](Cc1ccc(C3(C#N)CC3)cc1)CC2 ZINC000877680931 1137685499 /nfs/dbraw/zinc/68/54/99/1137685499.db2.gz BDVNOBUUCRKASN-UHFFFAOYSA-N 1 1 345.446 3.758 20 30 EHEDMO Cc1c(Br)cncc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877704205 1137686417 /nfs/dbraw/zinc/68/64/17/1137686417.db2.gz FLLWCUQTCOCVHP-UHFFFAOYSA-N 1 1 344.256 3.699 20 30 EHEDMO COc1ccccc1[C@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000877755822 1137688087 /nfs/dbraw/zinc/68/80/87/1137688087.db2.gz OIDYLJHULRQLNI-OAQYLSRUSA-N 1 1 348.446 3.824 20 30 EHEDMO COc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000877755822 1137688088 /nfs/dbraw/zinc/68/80/88/1137688088.db2.gz OIDYLJHULRQLNI-OAQYLSRUSA-N 1 1 348.446 3.824 20 30 EHEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)[nH]n1 ZINC000877783970 1137690009 /nfs/dbraw/zinc/69/00/09/1137690009.db2.gz LZLAIFAILFPSHZ-MRXNPFEDSA-N 1 1 326.419 3.923 20 30 EHEDMO CC(C)c1cc([C@@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)n[nH]1 ZINC000877783970 1137690010 /nfs/dbraw/zinc/69/00/10/1137690010.db2.gz LZLAIFAILFPSHZ-MRXNPFEDSA-N 1 1 326.419 3.923 20 30 EHEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n[nH]1 ZINC000877783970 1137690011 /nfs/dbraw/zinc/69/00/11/1137690011.db2.gz LZLAIFAILFPSHZ-MRXNPFEDSA-N 1 1 326.419 3.923 20 30 EHEDMO CC[N@@H+](C[C@@H]1CCC2(CCOCC2)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC000877991242 1137698733 /nfs/dbraw/zinc/69/87/33/1137698733.db2.gz NONSYUWEXOJYJZ-LPHOPBHVSA-N 1 1 328.456 3.669 20 30 EHEDMO C=CC[N@@H+](CCc1ccco1)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878385662 1137713696 /nfs/dbraw/zinc/71/36/96/1137713696.db2.gz DKFQENFKAVGTGF-NRFANRHFSA-N 1 1 336.435 3.751 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878385662 1137713697 /nfs/dbraw/zinc/71/36/97/1137713697.db2.gz DKFQENFKAVGTGF-NRFANRHFSA-N 1 1 336.435 3.751 20 30 EHEDMO C[C@@H]1CC2(C[N@H+]1CC1(CC#N)CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000878729717 1137726523 /nfs/dbraw/zinc/72/65/23/1137726523.db2.gz OFIZLDFXIIAGQU-MRXNPFEDSA-N 1 1 347.503 3.792 20 30 EHEDMO C=CCCC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000879022117 1137735577 /nfs/dbraw/zinc/73/55/77/1137735577.db2.gz GERRCNPTFCORNW-ICSRJNTNSA-N 1 1 328.500 3.927 20 30 EHEDMO CCc1cccc(CC)c1NC(=O)C[N@H+](C)CCc1cccc(C#N)c1 ZINC000879434901 1137747813 /nfs/dbraw/zinc/74/78/13/1137747813.db2.gz PLSPWVOUNUNYRN-UHFFFAOYSA-N 1 1 349.478 3.796 20 30 EHEDMO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879434901 1137747814 /nfs/dbraw/zinc/74/78/14/1137747814.db2.gz PLSPWVOUNUNYRN-UHFFFAOYSA-N 1 1 349.478 3.796 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)c(Br)c1 ZINC000879562303 1137751082 /nfs/dbraw/zinc/75/10/82/1137751082.db2.gz DEHMOOXRGRGECF-UONOGXRCSA-N 1 1 337.286 3.506 20 30 EHEDMO COc1ccccc1[C@H]1CSCCC[N@H+]1CCCSCC#N ZINC000880175268 1137769860 /nfs/dbraw/zinc/76/98/60/1137769860.db2.gz YPOKAPNAPYCZIP-MRXNPFEDSA-N 1 1 336.526 3.822 20 30 EHEDMO CCC1([NH+]2CCCCC2)CCN(CCCC2(C#N)CCOCC2)CC1 ZINC000880255508 1137772259 /nfs/dbraw/zinc/77/22/59/1137772259.db2.gz NAUULOPXQFPAAH-UHFFFAOYSA-N 1 1 347.547 3.817 20 30 EHEDMO COc1cccc([C@@H]2CC[N@@H+](Cc3nc(C#N)cs3)C2(C)C)c1 ZINC000880285355 1137773336 /nfs/dbraw/zinc/77/33/36/1137773336.db2.gz JWGOPEDTZJYHNO-INIZCTEOSA-N 1 1 327.453 3.791 20 30 EHEDMO C[C@@]1(c2ccccc2)CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000880370778 1137776785 /nfs/dbraw/zinc/77/67/85/1137776785.db2.gz RQLMGZSCZAAOGS-IBGZPJMESA-N 1 1 339.464 3.960 20 30 EHEDMO N#C[C@@H](c1ccccc1)n1cc(C[NH2+][C@@H]2CCCc3ccccc32)nn1 ZINC000881294742 1137805265 /nfs/dbraw/zinc/80/52/65/1137805265.db2.gz BWAYNTNMDUWJFJ-RTWAWAEBSA-N 1 1 343.434 3.558 20 30 EHEDMO Cc1cc(N2CCC[C@H](CF)C2)c(C#N)c(N2CCC[C@H](CF)C2)[nH+]1 ZINC000882802940 1137834718 /nfs/dbraw/zinc/83/47/18/1137834718.db2.gz XKAJZDSGJIDBRK-HZPDHXFCSA-N 1 1 348.441 3.634 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@@H]1CCC(C)C ZINC000130678123 1137840665 /nfs/dbraw/zinc/84/06/65/1137840665.db2.gz DGHMHSZVRIKBTR-LJQANCHMSA-N 1 1 337.471 3.983 20 30 EHEDMO N#CCCCC[N@@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000102396784 1137872912 /nfs/dbraw/zinc/87/29/12/1137872912.db2.gz AVWLXTATCJNPDQ-UHFFFAOYSA-N 1 1 339.405 3.907 20 30 EHEDMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC(C)(C)CC#N ZINC000600002108 1137893776 /nfs/dbraw/zinc/89/37/76/1137893776.db2.gz WBTXQMUARLGZFA-RTBURBONSA-N 1 1 341.499 3.591 20 30 EHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC000348353716 1138018202 /nfs/dbraw/zinc/01/82/02/1138018202.db2.gz ICKZBZUUHBDTJC-CQSZACIVSA-N 1 1 341.398 3.888 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000886353096 1138070279 /nfs/dbraw/zinc/07/02/79/1138070279.db2.gz BJTIVAZTRSMKOP-LBPRGKRZSA-N 1 1 335.329 3.601 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2csc(-c3ccc(OC)cc3OC)n2)C1 ZINC000886356154 1138070498 /nfs/dbraw/zinc/07/04/98/1138070498.db2.gz UWLKAYJPLVKCLK-CQSZACIVSA-N 1 1 342.464 3.673 20 30 EHEDMO Cc1csc(C[C@H]2CCC[N@@H+](Cc3ccc(OCC#N)cc3)C2)n1 ZINC000886696906 1138117616 /nfs/dbraw/zinc/11/76/16/1138117616.db2.gz YTJMYKZYQPIQTD-QGZVFWFLSA-N 1 1 341.480 3.809 20 30 EHEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075745713 1138128672 /nfs/dbraw/zinc/12/86/72/1138128672.db2.gz KBRGJNZMONDKMX-BEFAXECRSA-N 1 1 344.418 3.986 20 30 EHEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075745715 1138128769 /nfs/dbraw/zinc/12/87/69/1138128769.db2.gz KBRGJNZMONDKMX-KXBFYZLASA-N 1 1 344.418 3.986 20 30 EHEDMO C=CCC1(O)CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000886757840 1138133474 /nfs/dbraw/zinc/13/34/74/1138133474.db2.gz SNFIHNMUXBAGDY-UHFFFAOYSA-N 1 1 332.444 3.852 20 30 EHEDMO N#CCC[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)CC1CC1 ZINC000081044070 1138165681 /nfs/dbraw/zinc/16/56/81/1138165681.db2.gz BNJYRCCVHBZNLH-UHFFFAOYSA-N 1 1 330.819 3.558 20 30 EHEDMO N#CCC[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)CC1CC1 ZINC000081044070 1138165682 /nfs/dbraw/zinc/16/56/82/1138165682.db2.gz BNJYRCCVHBZNLH-UHFFFAOYSA-N 1 1 330.819 3.558 20 30 EHEDMO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H]2c2cccs2)C1=O ZINC000083128466 1138174670 /nfs/dbraw/zinc/17/46/70/1138174670.db2.gz BRQXSUURALDQAB-ZIAGYGMSSA-N 1 1 343.477 3.624 20 30 EHEDMO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H]2c2cccs2)C1=O ZINC000083128466 1138174671 /nfs/dbraw/zinc/17/46/71/1138174671.db2.gz BRQXSUURALDQAB-ZIAGYGMSSA-N 1 1 343.477 3.624 20 30 EHEDMO COc1cc2c(cc1O)CC[N@@H+](Cc1ccccc1C(C)(C)C#N)C2 ZINC000887105487 1138212526 /nfs/dbraw/zinc/21/25/26/1138212526.db2.gz XNNWYQSKFQJORQ-UHFFFAOYSA-N 1 1 336.435 3.760 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)o1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000092122560 1138225063 /nfs/dbraw/zinc/22/50/63/1138225063.db2.gz LTOBSNRDGLHQLH-UHFFFAOYSA-N 1 1 347.459 3.763 20 30 EHEDMO CC[N@@H+](CCc1nccs1)Cc1ccc(N(C)CCC#N)cc1 ZINC000093764627 1138240952 /nfs/dbraw/zinc/24/09/52/1138240952.db2.gz RTOZWWBEEANRGZ-UHFFFAOYSA-N 1 1 328.485 3.558 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)o1 ZINC000093840941 1138241706 /nfs/dbraw/zinc/24/17/06/1138241706.db2.gz WWXBZBPDQWSVCJ-ZDUSSCGKSA-N 1 1 327.453 3.866 20 30 EHEDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)cc1OC ZINC000124671648 1138291977 /nfs/dbraw/zinc/29/19/77/1138291977.db2.gz OQKGXFCCZSQBQS-INIZCTEOSA-N 1 1 328.437 3.974 20 30 EHEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)cc1OC ZINC000124671648 1138291981 /nfs/dbraw/zinc/29/19/81/1138291981.db2.gz OQKGXFCCZSQBQS-INIZCTEOSA-N 1 1 328.437 3.974 20 30 EHEDMO C=CCCC(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000263727942 1138350826 /nfs/dbraw/zinc/35/08/26/1138350826.db2.gz ZEQICJZTUYKDFX-AWEZNQCLSA-N 1 1 347.434 3.543 20 30 EHEDMO C=CCCC(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC000263727942 1138350829 /nfs/dbraw/zinc/35/08/29/1138350829.db2.gz ZEQICJZTUYKDFX-AWEZNQCLSA-N 1 1 347.434 3.543 20 30 EHEDMO COCCCC[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000127277778 1138352078 /nfs/dbraw/zinc/35/20/78/1138352078.db2.gz AEWZQHCNFGPSBM-NRFANRHFSA-N 1 1 338.451 3.520 20 30 EHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N(CCC#N)CC2CC2)cc1 ZINC000264015748 1138405708 /nfs/dbraw/zinc/40/57/08/1138405708.db2.gz DEHRGIXULLYIIR-UHFFFAOYSA-N 1 1 327.472 3.684 20 30 EHEDMO Cc1[nH+]ccn1CCCNc1c(C#N)cnc2ccc(C(C)C)cc21 ZINC000337790005 1138668538 /nfs/dbraw/zinc/66/85/38/1138668538.db2.gz CNXXDOQHOSINJS-UHFFFAOYSA-N 1 1 333.439 3.659 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)Cc2ccc(C#N)cc2)cc1)C1CC1 ZINC000338004993 1138721488 /nfs/dbraw/zinc/72/14/88/1138721488.db2.gz ZFGVLOMFYZJAIE-UHFFFAOYSA-N 1 1 347.462 3.815 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](CC(C)C)C2CC2)c1 ZINC000338392537 1138884704 /nfs/dbraw/zinc/88/47/04/1138884704.db2.gz HFSNFKSJBPWJLB-UHFFFAOYSA-N 1 1 327.472 3.671 20 30 EHEDMO C[C@H]1C[C@H]([N@@H+](C)CCCSCC#N)CCN1Cc1ccccc1 ZINC000174172057 1139403781 /nfs/dbraw/zinc/40/37/81/1139403781.db2.gz AUOCKHMNZLBUJW-PKOBYXMFSA-N 1 1 331.529 3.618 20 30 EHEDMO C[C@@H]1C[C@H]([N@@H+](C)CCCSCC#N)CCN1Cc1ccccc1 ZINC000174172045 1139404015 /nfs/dbraw/zinc/40/40/15/1139404015.db2.gz AUOCKHMNZLBUJW-IEBWSBKVSA-N 1 1 331.529 3.618 20 30 EHEDMO COc1ccc(C[NH2+]C2(c3nc(C)cs3)CCCC2)cc1C#N ZINC000174385311 1139417269 /nfs/dbraw/zinc/41/72/69/1139417269.db2.gz JWJJGAPJEBZWDR-UHFFFAOYSA-N 1 1 327.453 3.891 20 30 EHEDMO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(N(C)CCC#N)cc2)o1 ZINC000174475858 1139422272 /nfs/dbraw/zinc/42/22/72/1139422272.db2.gz JVMFDPBMDVEOFA-LJQANCHMSA-N 1 1 341.455 3.669 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cnn(CC(C)C)c2)cc1 ZINC000180741121 1139861372 /nfs/dbraw/zinc/86/13/72/1139861372.db2.gz DEKBURKUYBKAID-RUDMXATFSA-N 1 1 334.423 3.929 20 30 EHEDMO CC[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(OC)cc1 ZINC000181809892 1139932848 /nfs/dbraw/zinc/93/28/48/1139932848.db2.gz WPTLZUHQDWWETB-SFHVURJKSA-N 1 1 348.406 3.858 20 30 EHEDMO Cc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183447050 1140038965 /nfs/dbraw/zinc/03/89/65/1140038965.db2.gz YTTLAZIPPOSUHC-WBVHZDCISA-N 1 1 340.471 3.641 20 30 EHEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2cccnc2)cc1OCCCC#N ZINC000183719931 1140054552 /nfs/dbraw/zinc/05/45/52/1140054552.db2.gz QPRJHFKUCDYWBS-INIZCTEOSA-N 1 1 339.439 3.966 20 30 EHEDMO COc1cccc(/C=N/C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1O ZINC000777400979 1140063881 /nfs/dbraw/zinc/06/38/81/1140063881.db2.gz IHVVLVVOVKLADK-XOWGOQOESA-N 1 1 338.451 3.874 20 30 EHEDMO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc(C)cs1 ZINC000184381905 1140099846 /nfs/dbraw/zinc/09/98/46/1140099846.db2.gz HVQARVFAWSAPMB-CQSZACIVSA-N 1 1 348.859 3.656 20 30 EHEDMO CC[N@@H+](Cc1cc(-c2cnn(C)c2C)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000184468897 1140104433 /nfs/dbraw/zinc/10/44/33/1140104433.db2.gz NOTGQODQRDVTPV-CQSZACIVSA-N 1 1 349.438 3.838 20 30 EHEDMO CN1c2ccc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)cc2CCC1=O ZINC000186882026 1140226736 /nfs/dbraw/zinc/22/67/36/1140226736.db2.gz XBIIBOOSYYMULM-UHFFFAOYSA-N 1 1 345.446 3.632 20 30 EHEDMO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187297124 1140249143 /nfs/dbraw/zinc/24/91/43/1140249143.db2.gz UBIYCVZTDLZLRS-HNNXBMFYSA-N 1 1 343.862 3.764 20 30 EHEDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187297124 1140249146 /nfs/dbraw/zinc/24/91/46/1140249146.db2.gz UBIYCVZTDLZLRS-HNNXBMFYSA-N 1 1 343.862 3.764 20 30 EHEDMO C=CCC1(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)CCC1 ZINC000190098877 1140386504 /nfs/dbraw/zinc/38/65/04/1140386504.db2.gz LGRIKSCUDBHHOE-UHFFFAOYSA-N 1 1 327.403 3.682 20 30 EHEDMO C=CC[NH+]1CCC(NCc2cc(Br)c(Cl)s2)CC1 ZINC000190977477 1140429610 /nfs/dbraw/zinc/42/96/10/1140429610.db2.gz JCWALMARKBARHX-UHFFFAOYSA-N 1 1 349.725 3.904 20 30 EHEDMO N#CCOc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000266844616 1140728839 /nfs/dbraw/zinc/72/88/39/1140728839.db2.gz PPSHURLWVCVDRV-FQEVSTJZSA-N 1 1 349.434 3.582 20 30 EHEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000267037744 1140752152 /nfs/dbraw/zinc/75/21/52/1140752152.db2.gz ODHXEYNPGJHUEO-MYYSRTQBSA-N 1 1 342.464 3.519 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000267830829 1140840843 /nfs/dbraw/zinc/84/08/43/1140840843.db2.gz QZDHZXNQNQBWCY-ZNMIVQPWSA-N 1 1 331.485 3.607 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000267830826 1140841170 /nfs/dbraw/zinc/84/11/70/1140841170.db2.gz QZDHZXNQNQBWCY-QLFBSQMISA-N 1 1 331.485 3.607 20 30 EHEDMO C=CCC(CC=C)C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC ZINC000268189520 1140900261 /nfs/dbraw/zinc/90/02/61/1140900261.db2.gz KPISQYGRIKGQLH-HXUWFJFHSA-N 1 1 341.499 3.663 20 30 EHEDMO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc(C#N)cc2F)c1 ZINC000269385860 1141102450 /nfs/dbraw/zinc/10/24/50/1141102450.db2.gz AXSHSZJLYRATFV-UHFFFAOYSA-N 1 1 325.431 3.827 20 30 EHEDMO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc(C#N)cc2F)c1 ZINC000269385860 1141102452 /nfs/dbraw/zinc/10/24/52/1141102452.db2.gz AXSHSZJLYRATFV-UHFFFAOYSA-N 1 1 325.431 3.827 20 30 EHEDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000270339007 1141208524 /nfs/dbraw/zinc/20/85/24/1141208524.db2.gz DLWVOCQOOYSWAK-UTKZUKDTSA-N 1 1 347.462 3.536 20 30 EHEDMO C[C@H]1C[C@@H](NC(=O)c2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000270339008 1141208837 /nfs/dbraw/zinc/20/88/37/1141208837.db2.gz DLWVOCQOOYSWAK-UWJYYQICSA-N 1 1 347.462 3.536 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@]1(C)CCCO ZINC000271132373 1141311499 /nfs/dbraw/zinc/31/14/99/1141311499.db2.gz ANNXWDZVMDISAQ-LJQANCHMSA-N 1 1 348.512 3.530 20 30 EHEDMO Cc1ccc2nc(N3C[C@@H](C)[N@H+](C)C[C@H]3C)c(C#N)c(Cl)c2c1 ZINC001164632051 719258306 /nfs/dbraw/zinc/25/83/06/719258306.db2.gz IALPZBVEMCKPFM-CHWSQXEVSA-N 1 1 328.847 3.597 20 30 EHEDMO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000274668608 1014503103 /nfs/dbraw/zinc/50/31/03/1014503103.db2.gz XSJPHWKIGCUYDB-JTQLQIEISA-N 1 1 341.358 3.915 20 30 EHEDMO Cc1ccccc1C(C)(C)[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000339490188 1014577766 /nfs/dbraw/zinc/57/77/66/1014577766.db2.gz FJVLIIMICTXCGK-UHFFFAOYSA-N 1 1 332.407 3.942 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2nc(-c3ccccc3)oc2C)no1 ZINC000904531668 1032101077 /nfs/dbraw/zinc/10/10/77/1032101077.db2.gz UDXWAYPIGWVFLP-OAHLLOKOSA-N 1 1 338.411 3.980 20 30 EHEDMO CC[N@@H+](CC1CC1)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000343730720 1032105419 /nfs/dbraw/zinc/10/54/19/1032105419.db2.gz ZSMOUFVBYQZCBH-QGZVFWFLSA-N 1 1 327.472 3.671 20 30 EHEDMO CC[N@@H+](CC1CC1)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000343730719 1032105758 /nfs/dbraw/zinc/10/57/58/1032105758.db2.gz ZSMOUFVBYQZCBH-KRWDZBQOSA-N 1 1 327.472 3.671 20 30 EHEDMO C[C@H]1C[C@H](Nc2nc(Cl)c(C#N)s2)C[N@H+]1Cc1ccccc1 ZINC000306689362 1015431864 /nfs/dbraw/zinc/43/18/64/1015431864.db2.gz OAHIZYSHIYOEJF-AAEUAGOBSA-N 1 1 332.860 3.743 20 30 EHEDMO CC(C)(CC#N)CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000457991241 1015543390 /nfs/dbraw/zinc/54/33/90/1015543390.db2.gz IXWSNQDJKUOXAK-UHFFFAOYSA-N 1 1 349.478 3.745 20 30 EHEDMO N#Cc1ccc(CC[N@@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)cc1 ZINC001208926065 1015615856 /nfs/dbraw/zinc/61/58/56/1015615856.db2.gz HFYCYAWNZBDJAW-QGZVFWFLSA-N 1 1 328.362 3.532 20 30 EHEDMO C[C@@H]1C[C@@H](CCNC(=O)c2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000510147986 1015779214 /nfs/dbraw/zinc/77/92/14/1015779214.db2.gz KNMDUIHRENAZPF-YLJYHZDGSA-N 1 1 347.462 3.589 20 30 EHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000339907058 1015877224 /nfs/dbraw/zinc/87/72/24/1015877224.db2.gz VDCJMXGUVILZJC-SFHVURJKSA-N 1 1 334.398 3.712 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc3cc(C#N)ccc3n2)C1 ZINC000538084562 1032133552 /nfs/dbraw/zinc/13/35/52/1032133552.db2.gz ZJQPIOJIFMMVJY-OXQOHEQNSA-N 1 1 342.446 3.776 20 30 EHEDMO C=CCOCC[N@H+](C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC001167107624 1016046707 /nfs/dbraw/zinc/04/67/07/1016046707.db2.gz FPBRYTXRXFEMLL-UHFFFAOYSA-N 1 1 331.378 3.879 20 30 EHEDMO N#Cc1cccc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)c1 ZINC000430320055 1016350515 /nfs/dbraw/zinc/35/05/15/1016350515.db2.gz LXVREFRVBWHQKD-UHFFFAOYSA-N 1 1 328.419 3.593 20 30 EHEDMO C[C@H](C[N@@H+](C)CCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000340187204 1016650636 /nfs/dbraw/zinc/65/06/36/1016650636.db2.gz VGGMKSWTHACHJV-CQSZACIVSA-N 1 1 327.453 3.684 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2ccc(Br)s2)no1 ZINC000904664365 1032187956 /nfs/dbraw/zinc/18/79/56/1032187956.db2.gz FNLBIKXWULGEBD-SNVBAGLBSA-N 1 1 342.262 3.841 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cccc(NC(=O)C3CCC3)c2)no1 ZINC000904666528 1032188257 /nfs/dbraw/zinc/18/82/57/1032188257.db2.gz UEOQYDLNDAOMFX-MRXNPFEDSA-N 1 1 340.427 3.831 20 30 EHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccnc1C(F)(F)F ZINC000528368094 1032196469 /nfs/dbraw/zinc/19/64/69/1032196469.db2.gz VPSGIMZYUKWRFJ-UHFFFAOYSA-N 1 1 349.356 3.621 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccnc1C(F)(F)F ZINC000528368094 1032196475 /nfs/dbraw/zinc/19/64/75/1032196475.db2.gz VPSGIMZYUKWRFJ-UHFFFAOYSA-N 1 1 349.356 3.621 20 30 EHEDMO CCCCCCCC[C@@H]([NH3+])c1nc(-c2ccc3nnc(C)n3c2)no1 ZINC000904695875 1032196691 /nfs/dbraw/zinc/19/66/91/1032196691.db2.gz QOTOFNYVBDLXFM-OAHLLOKOSA-N 1 1 342.447 3.838 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2cc(Br)cs2)no1 ZINC000904713927 1032202917 /nfs/dbraw/zinc/20/29/17/1032202917.db2.gz YTIJWXQRDAXJIA-NSHDSACASA-N 1 1 342.262 3.841 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc(COc2ccc(Cl)c(F)c2)no1 ZINC000904726100 1032206405 /nfs/dbraw/zinc/20/64/05/1032206405.db2.gz YXLLOXRYPVHZRL-ZDUSSCGKSA-N 1 1 325.771 3.797 20 30 EHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccccc1OC(F)F ZINC000573213650 1032276581 /nfs/dbraw/zinc/27/65/81/1032276581.db2.gz MMCFVDGWSZKPDQ-UHFFFAOYSA-N 1 1 346.377 3.808 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118390351 1032362135 /nfs/dbraw/zinc/36/21/35/1032362135.db2.gz JJURTFFIGSTEOY-ROUUACIJSA-N 1 1 344.462 3.870 20 30 EHEDMO C=C(CC)C[N@H+](CC(N)=O)Cc1ccc(OCc2ccccc2)cc1 ZINC000536892269 1032402077 /nfs/dbraw/zinc/40/20/77/1032402077.db2.gz DBNSNTILGVDQKR-UHFFFAOYSA-N 1 1 338.451 3.519 20 30 EHEDMO C=C(CC)C[N@@H+](CC(N)=O)Cc1ccc(OCc2ccccc2)cc1 ZINC000536892269 1032402085 /nfs/dbraw/zinc/40/20/85/1032402085.db2.gz DBNSNTILGVDQKR-UHFFFAOYSA-N 1 1 338.451 3.519 20 30 EHEDMO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CC(C)(C)C1 ZINC000459734567 1032437949 /nfs/dbraw/zinc/43/79/49/1032437949.db2.gz CYCUIZAKISFNNT-UHFFFAOYSA-N 1 1 333.863 3.707 20 30 EHEDMO CCC(C#N)(CC)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000528658071 1032544428 /nfs/dbraw/zinc/54/44/28/1032544428.db2.gz ZRYCZCGOJRQIDU-HOCLYGCPSA-N 1 1 333.501 3.577 20 30 EHEDMO C=CCCC[C@H](C)NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000537232897 1032571639 /nfs/dbraw/zinc/57/16/39/1032571639.db2.gz WZJXLGZEUKGTFW-RCCFBDPRSA-N 1 1 344.499 3.770 20 30 EHEDMO C=CCCC[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000537239930 1032574736 /nfs/dbraw/zinc/57/47/36/1032574736.db2.gz UWQWZOPVJFPVJK-FUHWJXTLSA-N 1 1 332.513 3.638 20 30 EHEDMO C=CCCC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000537266761 1032588378 /nfs/dbraw/zinc/58/83/78/1032588378.db2.gz KRWQXNOXBKFHCL-HBFSDRIKSA-N 1 1 343.515 3.941 20 30 EHEDMO C[N@H+]1CC[C@@H](CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000602083133 1032619466 /nfs/dbraw/zinc/61/94/66/1032619466.db2.gz VUNLGYJSMGWDAA-INIZCTEOSA-N 1 1 335.407 3.631 20 30 EHEDMO C[NH+](C)C1(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000597750785 1032650394 /nfs/dbraw/zinc/65/03/94/1032650394.db2.gz LGXLIEVNWHUNDZ-UHFFFAOYSA-N 1 1 337.448 3.742 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3CCCO[C@H]3C)c2)C[C@H](C)O1 ZINC000330046272 1017141222 /nfs/dbraw/zinc/14/12/22/1017141222.db2.gz IPEFKONXGAQIKH-CYJAXWMASA-N 1 1 346.471 3.699 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3CCCO[C@H]3C)c2)C[C@H](C)O1 ZINC000330046272 1017141226 /nfs/dbraw/zinc/14/12/26/1017141226.db2.gz IPEFKONXGAQIKH-CYJAXWMASA-N 1 1 346.471 3.699 20 30 EHEDMO N#Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c(F)c1 ZINC000592363622 1032684834 /nfs/dbraw/zinc/68/48/34/1032684834.db2.gz YDPYYYWVYCLJBT-HXUWFJFHSA-N 1 1 349.453 3.984 20 30 EHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)c(F)c1 ZINC000592363622 1032684848 /nfs/dbraw/zinc/68/48/48/1032684848.db2.gz YDPYYYWVYCLJBT-HXUWFJFHSA-N 1 1 349.453 3.984 20 30 EHEDMO CCc1oc(C(=O)OC)cc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000177059594 1017569310 /nfs/dbraw/zinc/56/93/10/1017569310.db2.gz DZZFHUYRAYTZED-UHFFFAOYSA-N 1 1 338.407 3.665 20 30 EHEDMO CCc1oc(C(=O)OC)cc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000177059594 1017569326 /nfs/dbraw/zinc/56/93/26/1017569326.db2.gz DZZFHUYRAYTZED-UHFFFAOYSA-N 1 1 338.407 3.665 20 30 EHEDMO Cc1ccnc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1C#N ZINC000343508131 1017639149 /nfs/dbraw/zinc/63/91/49/1017639149.db2.gz IOBRBZNWTQFOHE-YQQQUEKLSA-N 1 1 332.451 3.869 20 30 EHEDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ccccc1-c1ccccc1C#N ZINC000597858462 1032718927 /nfs/dbraw/zinc/71/89/27/1032718927.db2.gz LVBXZLQFAGZPOV-KRWDZBQOSA-N 1 1 347.462 3.828 20 30 EHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)cc1C#N ZINC000134952583 1017746452 /nfs/dbraw/zinc/74/64/52/1017746452.db2.gz RUCNBXCKKROYMZ-UHFFFAOYSA-N 1 1 332.350 3.800 20 30 EHEDMO COc1cccc(C[C@H]2CCCCC[N@H+]2Cc2ccc(C#N)cn2)c1 ZINC000528752626 1032744923 /nfs/dbraw/zinc/74/49/23/1032744923.db2.gz YHSSLLBYBVHFKO-HXUWFJFHSA-N 1 1 335.451 3.949 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000377772387 1018356323 /nfs/dbraw/zinc/35/63/23/1018356323.db2.gz WSWLRJJNQGAIML-BFYDXBDKSA-N 1 1 343.496 3.894 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000377772387 1018356338 /nfs/dbraw/zinc/35/63/38/1018356338.db2.gz WSWLRJJNQGAIML-BFYDXBDKSA-N 1 1 343.496 3.894 20 30 EHEDMO C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CCc2ccc(F)cc21 ZINC000593115604 1032763883 /nfs/dbraw/zinc/76/38/83/1032763883.db2.gz GLYBNGPORGQGNO-INIZCTEOSA-N 1 1 330.447 3.888 20 30 EHEDMO N#Cc1csc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000177699012 1018535801 /nfs/dbraw/zinc/53/58/01/1018535801.db2.gz MCBWXQKRMRHXKA-YQQQUEKLSA-N 1 1 337.492 3.905 20 30 EHEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC001167373280 1018904731 /nfs/dbraw/zinc/90/47/31/1018904731.db2.gz VHSTZHWGFARXOW-CTNGQTDRSA-N 1 1 338.451 3.627 20 30 EHEDMO CCN(C(=O)Nc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000129186236 1018965945 /nfs/dbraw/zinc/96/59/45/1018965945.db2.gz UKCWMADKAOMIFD-HXUWFJFHSA-N 1 1 348.450 3.687 20 30 EHEDMO C=C(C)COc1cc(CNC[C@@H]2CCC[N@@H+]2CCC)ccc1OC ZINC000513100144 1019020109 /nfs/dbraw/zinc/02/01/09/1019020109.db2.gz HHRJDIJLEWPATJ-SFHVURJKSA-N 1 1 332.488 3.614 20 30 EHEDMO C=C(C)COc1cc(C[NH2+]C[C@@H]2CCCN2CCC)ccc1OC ZINC000513100144 1019020126 /nfs/dbraw/zinc/02/01/26/1019020126.db2.gz HHRJDIJLEWPATJ-SFHVURJKSA-N 1 1 332.488 3.614 20 30 EHEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594027466 1032807942 /nfs/dbraw/zinc/80/79/42/1032807942.db2.gz VEOKTSTZNGTILP-MRXNPFEDSA-N 1 1 349.272 3.854 20 30 EHEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594027466 1032807950 /nfs/dbraw/zinc/80/79/50/1032807950.db2.gz VEOKTSTZNGTILP-MRXNPFEDSA-N 1 1 349.272 3.854 20 30 EHEDMO C=C(C)COc1cc(C[NH2+][C@@H](C)c2nccn2CC)ccc1OC ZINC000449562425 1032814799 /nfs/dbraw/zinc/81/47/99/1032814799.db2.gz KOEHYYMKQUUUSB-HNNXBMFYSA-N 1 1 329.444 3.717 20 30 EHEDMO CC[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC001167413631 1019500818 /nfs/dbraw/zinc/50/08/18/1019500818.db2.gz YBKACYBECAWZLV-KBPBESRZSA-N 1 1 345.512 3.948 20 30 EHEDMO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1Cl)C(=O)NC1(C#N)CCC1 ZINC000345114504 1019958163 /nfs/dbraw/zinc/95/81/63/1019958163.db2.gz RIYYMGWVWQECDA-WDEREUQCSA-N 1 1 340.254 3.595 20 30 EHEDMO Cc1cccc(NCCNc2ccc(Br)cc2C#N)[nH+]1 ZINC000340798583 1020009248 /nfs/dbraw/zinc/00/92/48/1020009248.db2.gz OAKOGBICPODVJG-UHFFFAOYSA-N 1 1 331.217 3.548 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000345302867 1020141582 /nfs/dbraw/zinc/14/15/82/1020141582.db2.gz SLPPZTDSZXRCBT-QLFBSQMISA-N 1 1 346.500 3.543 20 30 EHEDMO C[N@@H+](Cc1ccc2nc(NC(=O)CC3(C#N)CC3)sc2c1)C1CC1 ZINC000598027015 1032878451 /nfs/dbraw/zinc/87/84/51/1032878451.db2.gz FIHKFSDXJPLDRI-UHFFFAOYSA-N 1 1 340.452 3.523 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000602454345 1032883081 /nfs/dbraw/zinc/88/30/81/1032883081.db2.gz MACHTBHFULEMDB-JKSUJKDBSA-N 1 1 346.450 3.599 20 30 EHEDMO COc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc(OC)c1OC ZINC000177858007 1020213405 /nfs/dbraw/zinc/21/34/05/1020213405.db2.gz QYIMQUZAYUTSNO-GFCCVEGCSA-N 1 1 344.386 3.574 20 30 EHEDMO COCCc1ncc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)s1 ZINC000602446077 1032892550 /nfs/dbraw/zinc/89/25/50/1032892550.db2.gz ZMGXCUIEMSLZIF-UHFFFAOYSA-N 1 1 343.496 3.862 20 30 EHEDMO CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H](CCCC#N)c2ccccc2)C[C@@H]1C ZINC000458799029 1032899134 /nfs/dbraw/zinc/89/91/34/1032899134.db2.gz IXJVRVGFOJPHFV-LNLFQRSKSA-N 1 1 342.487 3.546 20 30 EHEDMO C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000160839019 1020610919 /nfs/dbraw/zinc/61/09/19/1020610919.db2.gz GWXNCQVZWFPEAM-KRWDZBQOSA-N 1 1 345.462 3.540 20 30 EHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)c(OC)c1 ZINC000160831834 1020624205 /nfs/dbraw/zinc/62/42/05/1020624205.db2.gz UNVSFOHJXHKBOW-HNNXBMFYSA-N 1 1 340.423 3.627 20 30 EHEDMO Cn1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc1C#N ZINC000581345449 1020718977 /nfs/dbraw/zinc/71/89/77/1020718977.db2.gz VNIPFFGGUDHUMV-OAHLLOKOSA-N 1 1 336.464 3.886 20 30 EHEDMO COc1ccc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000135111515 1020775907 /nfs/dbraw/zinc/77/59/07/1020775907.db2.gz VNQUQJCXXOACBM-HXUWFJFHSA-N 1 1 349.478 3.521 20 30 EHEDMO COc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)c2ccccc2)cc1C#N ZINC000135211572 1020891962 /nfs/dbraw/zinc/89/19/62/1020891962.db2.gz CJXLXZDVVCCQHJ-LJQANCHMSA-N 1 1 334.419 3.804 20 30 EHEDMO C[N@@H+](CCc1cccc(NC(=O)c2ccc(CC#N)cc2)c1)C1CC1 ZINC000341231655 1021138284 /nfs/dbraw/zinc/13/82/84/1021138284.db2.gz VLGPSFDMAREJLU-UHFFFAOYSA-N 1 1 333.435 3.642 20 30 EHEDMO C[C@@H]([NH2+]C(C)(C)CN[C@@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602546066 1032957485 /nfs/dbraw/zinc/95/74/85/1032957485.db2.gz OFRIAYGUAVXSRT-ZWKOTPCHSA-N 1 1 343.515 3.804 20 30 EHEDMO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000602535663 1032968387 /nfs/dbraw/zinc/96/83/87/1032968387.db2.gz WNQKAZZXYGDXQF-RDJZCZTQSA-N 1 1 341.480 3.921 20 30 EHEDMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(C#N)c1 ZINC000439263430 1021288366 /nfs/dbraw/zinc/28/83/66/1021288366.db2.gz XHUIBUZWOABAIH-NRFANRHFSA-N 1 1 338.451 3.730 20 30 EHEDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1OC ZINC000439272164 1021307823 /nfs/dbraw/zinc/30/78/23/1021307823.db2.gz ZAEIBZLRUMMPPU-OAQYLSRUSA-N 1 1 338.451 3.730 20 30 EHEDMO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2C2CCCC2)c(C#N)c1C ZINC000426386703 1021436037 /nfs/dbraw/zinc/43/60/37/1021436037.db2.gz ZCIKDVKOMIRQFK-INIZCTEOSA-N 1 1 331.485 3.830 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(Cl)c1 ZINC000439452520 1021453360 /nfs/dbraw/zinc/45/33/60/1021453360.db2.gz NRXHVYKTCVDDAB-HNNXBMFYSA-N 1 1 341.846 3.518 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)C[C@@H]1OCCc2ccccc21 ZINC000439455026 1021455357 /nfs/dbraw/zinc/45/53/57/1021455357.db2.gz SWELGLVDVDLPJX-IBGZPJMESA-N 1 1 326.827 3.957 20 30 EHEDMO C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@@H]1OCCc2ccccc21 ZINC000439455026 1021455366 /nfs/dbraw/zinc/45/53/66/1021455366.db2.gz SWELGLVDVDLPJX-IBGZPJMESA-N 1 1 326.827 3.957 20 30 EHEDMO C[C@H](CC[NH2+][C@@H](C)CC1(C#N)CCOCC1)N(C)Cc1ccccc1 ZINC000602574379 1032984285 /nfs/dbraw/zinc/98/42/85/1032984285.db2.gz ZONQYPGTLCYZKA-RBUKOAKNSA-N 1 1 343.515 3.586 20 30 EHEDMO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CC1(C#N)CCCC1 ZINC000593649986 1032996516 /nfs/dbraw/zinc/99/65/16/1032996516.db2.gz PEGXXLPTMWRIKF-UHFFFAOYSA-N 1 1 344.409 3.941 20 30 EHEDMO Cc1ccc2nc([C@@H]3CCCN3CCOc3cccc(C#N)c3)[nH]c2c1 ZINC000519717310 1021645210 /nfs/dbraw/zinc/64/52/10/1021645210.db2.gz BZTOVKYCGSMELI-FQEVSTJZSA-N 1 1 346.434 3.959 20 30 EHEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CCOc3cccc(C#N)c3)nc2c1 ZINC000519717310 1021645218 /nfs/dbraw/zinc/64/52/18/1021645218.db2.gz BZTOVKYCGSMELI-FQEVSTJZSA-N 1 1 346.434 3.959 20 30 EHEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3CCOc3cccc(C#N)c3)nc2c1 ZINC000519717310 1021645227 /nfs/dbraw/zinc/64/52/27/1021645227.db2.gz BZTOVKYCGSMELI-FQEVSTJZSA-N 1 1 346.434 3.959 20 30 EHEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+]3CCOc3cccc(C#N)c3)[nH]c2c1 ZINC000519717310 1021645241 /nfs/dbraw/zinc/64/52/41/1021645241.db2.gz BZTOVKYCGSMELI-FQEVSTJZSA-N 1 1 346.434 3.959 20 30 EHEDMO Cc1ccc2nc([C@@H]3CCC[N@H+]3CCOc3cccc(C#N)c3)[nH]c2c1 ZINC000519717310 1021645250 /nfs/dbraw/zinc/64/52/50/1021645250.db2.gz BZTOVKYCGSMELI-FQEVSTJZSA-N 1 1 346.434 3.959 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000664623564 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EHEDMO CC1(C#N)CCC([NH2+]Cc2nc3cccc(Br)c3[nH]2)CC1 ZINC000449770754 1033187492 /nfs/dbraw/zinc/18/74/92/1033187492.db2.gz IVUMAADBCJNFGL-UHFFFAOYSA-N 1 1 347.260 3.887 20 30 EHEDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCCCC#N ZINC000594061053 1033188455 /nfs/dbraw/zinc/18/84/55/1033188455.db2.gz AQVXRANMNQXAPP-RCCFBDPRSA-N 1 1 327.472 3.580 20 30 EHEDMO C#CCCOc1ccc(CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183101975 1024167767 /nfs/dbraw/zinc/16/77/67/1024167767.db2.gz YJRSDJFCHDHQJI-UYAOXDASSA-N 1 1 340.511 3.831 20 30 EHEDMO C#CCCOc1ccc(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183101975 1024167775 /nfs/dbraw/zinc/16/77/75/1024167775.db2.gz YJRSDJFCHDHQJI-UYAOXDASSA-N 1 1 340.511 3.831 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000614600651 1024170535 /nfs/dbraw/zinc/17/05/35/1024170535.db2.gz APLYOCQDACRGPM-VYDXJSESSA-N 1 1 343.496 3.894 20 30 EHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC000330012577 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N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCCC3(CCCCC3)C2)C1=O ZINC000435057296 1024584536 /nfs/dbraw/zinc/58/45/36/1024584536.db2.gz JUSFHJXHZSAXEE-INIZCTEOSA-N 1 1 343.496 3.771 20 30 EHEDMO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCCC3(CCCCC3)C2)C1=O ZINC000435057296 1024584553 /nfs/dbraw/zinc/58/45/53/1024584553.db2.gz JUSFHJXHZSAXEE-INIZCTEOSA-N 1 1 343.496 3.771 20 30 EHEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@@H](c3nccs3)C2)c1 ZINC000895584118 1024628301 /nfs/dbraw/zinc/62/83/01/1024628301.db2.gz PRCKWKHPZJRTMO-MRXNPFEDSA-N 1 1 327.453 3.815 20 30 EHEDMO N#Cc1sc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nc1Cl ZINC000281120731 1024647960 /nfs/dbraw/zinc/64/79/60/1024647960.db2.gz HLKXCISSKGMXPF-AWEZNQCLSA-N 1 1 346.887 3.645 20 30 EHEDMO O=C(NCc1cccc2c1OCO2)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000330313329 1024682418 /nfs/dbraw/zinc/68/24/18/1024682418.db2.gz XCXXBDMISYLQEJ-MRXNPFEDSA-N 1 1 330.428 3.669 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(C#N)cc1 ZINC000346495170 1024806431 /nfs/dbraw/zinc/80/64/31/1024806431.db2.gz XFOKNXVNBHOJLY-DLBZAZTESA-N 1 1 348.450 3.685 20 30 EHEDMO CCc1oc(C[NH2+]Cc2ccc(SC)c(C#N)c2)cc1C(=O)OC ZINC000895776354 1024821856 /nfs/dbraw/zinc/82/18/56/1024821856.db2.gz CSBQQBHNXQWGFK-UHFFFAOYSA-N 1 1 344.436 3.512 20 30 EHEDMO CC[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cccc(Cl)c1 ZINC000071956728 1024890757 /nfs/dbraw/zinc/89/07/57/1024890757.db2.gz RSQCEASBBHUAQZ-UHFFFAOYSA-N 1 1 327.815 3.672 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cccc(Cl)c1 ZINC000071956728 1024890768 /nfs/dbraw/zinc/89/07/68/1024890768.db2.gz RSQCEASBBHUAQZ-UHFFFAOYSA-N 1 1 327.815 3.672 20 30 EHEDMO N#CCCC1CC[NH+](Cc2nnc(-c3ccccc3Cl)o2)CC1 ZINC000514934035 1024911938 /nfs/dbraw/zinc/91/19/38/1024911938.db2.gz AJKXOHSAAAQMDG-UHFFFAOYSA-N 1 1 330.819 3.906 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000428044061 1024956324 /nfs/dbraw/zinc/95/63/24/1024956324.db2.gz IZRYPUAQPHKGKT-PKOBYXMFSA-N 1 1 330.447 3.605 20 30 EHEDMO Cn1c2ccccc2nc1C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602896547 1033249701 /nfs/dbraw/zinc/24/97/01/1033249701.db2.gz UNCQAXZWWRPKOB-UHFFFAOYSA-N 1 1 345.450 3.521 20 30 EHEDMO C[N@H+]1CCC[C@@H](CNc2nccc(C#N)c2Cl)[C@@H]1c1cccs1 ZINC000342343919 1025006696 /nfs/dbraw/zinc/00/66/96/1025006696.db2.gz BSGONGVMJOLJSH-XJKSGUPXSA-N 1 1 346.887 3.585 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2CC[C@@H](c3cccc(C)c3)C2)c1C#N ZINC000544187527 1025022151 /nfs/dbraw/zinc/02/21/51/1025022151.db2.gz QDDSZGNURUOPFT-QGZVFWFLSA-N 1 1 334.419 3.643 20 30 EHEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)NCCc1cccs1 ZINC000346710977 1025051285 /nfs/dbraw/zinc/05/12/85/1025051285.db2.gz XGNPKMWVAFOAED-AWEZNQCLSA-N 1 1 334.510 3.545 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)NCCc1cccs1 ZINC000346710977 1025051295 /nfs/dbraw/zinc/05/12/95/1025051295.db2.gz XGNPKMWVAFOAED-AWEZNQCLSA-N 1 1 334.510 3.545 20 30 EHEDMO COc1ccc(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1C#N ZINC000185448918 1025092570 /nfs/dbraw/zinc/09/25/70/1025092570.db2.gz WUEMOOXCONETHN-OAHLLOKOSA-N 1 1 341.480 3.507 20 30 EHEDMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000185455226 1025118949 /nfs/dbraw/zinc/11/89/49/1025118949.db2.gz YHZKETPKNKMVSM-AWEZNQCLSA-N 1 1 329.444 3.638 20 30 EHEDMO C=C(C(=O)N1CC2(C1)CC[N@H+](C[C@H](CC)CCCC)C2)C(F)(F)F ZINC001270008488 1025127482 /nfs/dbraw/zinc/12/74/82/1025127482.db2.gz VFHWZXZNJZXNSZ-OAHLLOKOSA-N 1 1 346.437 3.856 20 30 EHEDMO CCOc1ncccc1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000330360806 1025154508 /nfs/dbraw/zinc/15/45/08/1025154508.db2.gz XOGYCCJZOIAODR-QGZVFWFLSA-N 1 1 331.460 3.734 20 30 EHEDMO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000428244797 1025214173 /nfs/dbraw/zinc/21/41/73/1025214173.db2.gz JAITYGJQHPSBKR-OAHLLOKOSA-N 1 1 340.398 3.509 20 30 EHEDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000428244797 1025214178 /nfs/dbraw/zinc/21/41/78/1025214178.db2.gz JAITYGJQHPSBKR-OAHLLOKOSA-N 1 1 340.398 3.509 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000896226314 1025260478 /nfs/dbraw/zinc/26/04/78/1025260478.db2.gz CYKCACNSKFQJRC-SWLSCSKDSA-N 1 1 342.336 3.844 20 30 EHEDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)cs2)c(OC)c1 ZINC000121017116 1025284545 /nfs/dbraw/zinc/28/45/45/1025284545.db2.gz MKPXKDVBOGVFNB-KRWDZBQOSA-N 1 1 328.437 3.974 20 30 EHEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)cs2)c(OC)c1 ZINC000121017116 1025284555 /nfs/dbraw/zinc/28/45/55/1025284555.db2.gz MKPXKDVBOGVFNB-KRWDZBQOSA-N 1 1 328.437 3.974 20 30 EHEDMO N#Cc1ccccc1OC1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142527188 1033272613 /nfs/dbraw/zinc/27/26/13/1033272613.db2.gz NQTSGXITNAWLPY-UHFFFAOYSA-N 1 1 344.361 3.585 20 30 EHEDMO CN(C)c1cc(NC(=O)c2ccccc2-c2ccccc2C#N)cc[nH+]1 ZINC000346916050 1025310233 /nfs/dbraw/zinc/31/02/33/1025310233.db2.gz GWWARSUXQBGVOP-UHFFFAOYSA-N 1 1 342.402 3.939 20 30 EHEDMO CN(C(=O)C[N@H+](C)Cc1ccc(C#N)cc1)[C@H]1CCCc2ccccc21 ZINC000046527360 1033273931 /nfs/dbraw/zinc/27/39/31/1033273931.db2.gz AHQZQFOSBQGZQH-NRFANRHFSA-N 1 1 347.462 3.526 20 30 EHEDMO CN(C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1)[C@H]1CCCc2ccccc21 ZINC000046527360 1033273948 /nfs/dbraw/zinc/27/39/48/1033273948.db2.gz AHQZQFOSBQGZQH-NRFANRHFSA-N 1 1 347.462 3.526 20 30 EHEDMO C=CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000474685904 1025329375 /nfs/dbraw/zinc/32/93/75/1025329375.db2.gz ZJBPTWIYPCKWSU-IBGZPJMESA-N 1 1 330.447 3.605 20 30 EHEDMO C=CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000474685904 1025329384 /nfs/dbraw/zinc/32/93/84/1025329384.db2.gz ZJBPTWIYPCKWSU-IBGZPJMESA-N 1 1 330.447 3.605 20 30 EHEDMO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000521370905 1025358614 /nfs/dbraw/zinc/35/86/14/1025358614.db2.gz SIKARQMSZHNJKP-INIZCTEOSA-N 1 1 327.378 3.913 20 30 EHEDMO N#Cc1ccc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000521370905 1025358625 /nfs/dbraw/zinc/35/86/25/1025358625.db2.gz SIKARQMSZHNJKP-INIZCTEOSA-N 1 1 327.378 3.913 20 30 EHEDMO C=CCCC[N@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000346996149 1025398157 /nfs/dbraw/zinc/39/81/57/1025398157.db2.gz VUBONIFYPJKVPM-UHFFFAOYSA-N 1 1 333.863 3.793 20 30 EHEDMO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc(C#N)cs1 ZINC000344745123 1025398233 /nfs/dbraw/zinc/39/82/33/1025398233.db2.gz VYASMTJREZJSAV-HNAYVOBHSA-N 1 1 325.481 3.620 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc(C#N)cs1 ZINC000344745123 1025398247 /nfs/dbraw/zinc/39/82/47/1025398247.db2.gz VYASMTJREZJSAV-HNAYVOBHSA-N 1 1 325.481 3.620 20 30 EHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)NCCc2cccc(C#N)c2)cc1 ZINC000582137108 1025400398 /nfs/dbraw/zinc/40/03/98/1025400398.db2.gz VUUVBAPQHDHHNM-UHFFFAOYSA-N 1 1 349.478 3.763 20 30 EHEDMO Cc1ccnc(-c2noc(C[NH2+][C@H](CCCC#N)c3ccccc3)n2)c1 ZINC000451059044 1025481235 /nfs/dbraw/zinc/48/12/35/1025481235.db2.gz BUPTUFMBTYHQKL-QGZVFWFLSA-N 1 1 347.422 3.965 20 30 EHEDMO COc1cc(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)ccc1C#N ZINC000442809621 1025506654 /nfs/dbraw/zinc/50/66/54/1025506654.db2.gz KRTQXYXZDHRDHZ-IEBWSBKVSA-N 1 1 341.499 3.653 20 30 EHEDMO Cc1noc(C)c1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000329031422 1025572932 /nfs/dbraw/zinc/57/29/32/1025572932.db2.gz PTCAULVLUNURQW-JEBQAFNWSA-N 1 1 341.455 3.839 20 30 EHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H](O)COc1ccc(C)cc1 ZINC000515770104 1025578299 /nfs/dbraw/zinc/57/82/99/1025578299.db2.gz RYQYRVFWMYUWCH-GOSISDBHSA-N 1 1 329.415 3.562 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)COc1ccc(C)cc1 ZINC000515770104 1025578305 /nfs/dbraw/zinc/57/83/05/1025578305.db2.gz RYQYRVFWMYUWCH-GOSISDBHSA-N 1 1 329.415 3.562 20 30 EHEDMO C[C@@]1(F)CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000451125198 1025579136 /nfs/dbraw/zinc/57/91/36/1025579136.db2.gz ZOZLJRTUFRTCNG-GOSISDBHSA-N 1 1 349.475 3.651 20 30 EHEDMO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3cccc(C(C)C)c3)C2)n1 ZINC000329069497 1025587858 /nfs/dbraw/zinc/58/78/58/1025587858.db2.gz YCWTVHLPQPNEJR-OAHLLOKOSA-N 1 1 328.416 3.579 20 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ZINC000329310570 1025744143 /nfs/dbraw/zinc/74/41/43/1025744143.db2.gz FVNHMMCSGMQEAN-HQHYIBOGSA-N 1 1 349.862 3.797 20 30 EHEDMO C[C@@H]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC(=O)N1 ZINC000329310570 1025744165 /nfs/dbraw/zinc/74/41/65/1025744165.db2.gz FVNHMMCSGMQEAN-HQHYIBOGSA-N 1 1 349.862 3.797 20 30 EHEDMO COc1ccc2nc(C)cc(C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)c2c1 ZINC000329311276 1025745517 /nfs/dbraw/zinc/74/55/17/1025745517.db2.gz GEFGKFQGOCIGKV-AWEZNQCLSA-N 1 1 339.439 3.507 20 30 EHEDMO C[C@@H]1C[C@H](C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC(=O)N1 ZINC000329333657 1025760585 /nfs/dbraw/zinc/76/05/85/1025760585.db2.gz KITBIWDYMSLSLE-HIFRSBDPSA-N 1 1 347.484 3.578 20 30 EHEDMO C=CCN(CCc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000521925772 1025788124 /nfs/dbraw/zinc/78/81/24/1025788124.db2.gz IFFMXIVTCUBGJH-LJQANCHMSA-N 1 1 348.490 3.691 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1nccc(C#N)c1Cl ZINC000342352980 1025856476 /nfs/dbraw/zinc/85/64/76/1025856476.db2.gz VNMKBQMIHGKDLG-HNNXBMFYSA-N 1 1 340.858 3.707 20 30 EHEDMO C[C@@H]1CCC[C@H](CC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000329454094 1025870311 /nfs/dbraw/zinc/87/03/11/1025870311.db2.gz MOXZTZGWNOXQDC-UWVAXJGDSA-N 1 1 344.499 3.926 20 30 EHEDMO COc1cccc([C@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)c1 ZINC000281985404 1025878943 /nfs/dbraw/zinc/87/89/43/1025878943.db2.gz MJTJEKFCXFKCLU-LJQANCHMSA-N 1 1 328.456 3.933 20 30 EHEDMO CC(=O)NC1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000329460676 1025882511 /nfs/dbraw/zinc/88/25/11/1025882511.db2.gz PJAZFIDPBCNRDS-KLAILNCOSA-N 1 1 335.492 3.885 20 30 EHEDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000443324963 1025915480 /nfs/dbraw/zinc/91/54/80/1025915480.db2.gz ZHZUAPXPMYAGJD-CPUCHLNUSA-N 1 1 325.374 3.538 20 30 EHEDMO CN(C)c1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc[nH+]1 ZINC000444241262 1025959547 /nfs/dbraw/zinc/95/95/47/1025959547.db2.gz FMSCFOMMKHDGCF-UHFFFAOYSA-N 1 1 347.422 3.658 20 30 EHEDMO C[C@H]([NH2+]C1(CN[C@@H]2CCC[C@H](C#N)C2)CCOCC1)c1ccccc1 ZINC000185837034 1026003166 /nfs/dbraw/zinc/00/31/66/1026003166.db2.gz MMMKEFFMLKSFTO-CMKODMSKSA-N 1 1 341.499 3.558 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)ccc1OC ZINC000443791234 1026049053 /nfs/dbraw/zinc/04/90/53/1026049053.db2.gz QCFCGHQSTQYZMN-JZXOWHBKSA-N 1 1 333.472 3.631 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)ccc1OC ZINC000443791233 1026050281 /nfs/dbraw/zinc/05/02/81/1026050281.db2.gz QCFCGHQSTQYZMN-BQFCYCMXSA-N 1 1 333.472 3.631 20 30 EHEDMO C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000609549864 1026076379 /nfs/dbraw/zinc/07/63/79/1026076379.db2.gz HVXBMIYSKXGCCZ-IBGZPJMESA-N 1 1 335.407 3.773 20 30 EHEDMO C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000609549864 1026076388 /nfs/dbraw/zinc/07/63/88/1026076388.db2.gz HVXBMIYSKXGCCZ-IBGZPJMESA-N 1 1 335.407 3.773 20 30 EHEDMO O=C(C[N@@H+]1CCCC2(CCOCC2)C1)Nc1nc2c(s1)CCCC2 ZINC000329627495 1026101870 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N#Cc1ccc2c(c1)N(C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)CC2 ZINC000339835333 1026679056 /nfs/dbraw/zinc/67/90/56/1026679056.db2.gz VVKQNKNGIBYFBP-HXUWFJFHSA-N 1 1 345.446 3.502 20 30 EHEDMO N#CCc1ccc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000342702598 1026768906 /nfs/dbraw/zinc/76/89/06/1026768906.db2.gz ZDWRWEKIESEJHZ-SFHVURJKSA-N 1 1 326.465 3.995 20 30 EHEDMO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000472239677 1026902940 /nfs/dbraw/zinc/90/29/40/1026902940.db2.gz LMXYJCIVKUYGHN-FQEVSTJZSA-N 1 1 341.499 3.791 20 30 EHEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000342764782 1026983024 /nfs/dbraw/zinc/98/30/24/1026983024.db2.gz JNEQEOBSBOIELL-MRXNPFEDSA-N 1 1 331.423 3.526 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H](C)Cc1ccsc1 ZINC000187795910 1027196206 /nfs/dbraw/zinc/19/62/06/1027196206.db2.gz BPPZKILJBSWMSM-ZDUSSCGKSA-N 1 1 347.509 3.963 20 30 EHEDMO CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000127117383 1027276947 /nfs/dbraw/zinc/27/69/47/1027276947.db2.gz XSFIYHURJPTKQV-JKSUJKDBSA-N 1 1 331.435 3.583 20 30 EHEDMO C[N@H+](CCOc1ccc(OCc2ccccc2)cc1)CC1(C#N)CC1 ZINC000501540628 1027352597 /nfs/dbraw/zinc/35/25/97/1027352597.db2.gz KZUUQILXBHOPEU-UHFFFAOYSA-N 1 1 336.435 3.880 20 30 EHEDMO C[N@@H+](CCOc1ccc(OCc2ccccc2)cc1)CC1(C#N)CC1 ZINC000501540628 1027352609 /nfs/dbraw/zinc/35/26/09/1027352609.db2.gz KZUUQILXBHOPEU-UHFFFAOYSA-N 1 1 336.435 3.880 20 30 EHEDMO CC(C)(C#N)CCCC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000277881925 1027595799 /nfs/dbraw/zinc/59/57/99/1027595799.db2.gz ZFRSNHURAZHYAF-HZPDHXFCSA-N 1 1 336.501 3.592 20 30 EHEDMO CC(C)(C#N)CCCC[N@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000277881925 1027595811 /nfs/dbraw/zinc/59/58/11/1027595811.db2.gz ZFRSNHURAZHYAF-HZPDHXFCSA-N 1 1 336.501 3.592 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc2c1OCCO2 ZINC000513783549 1027604118 /nfs/dbraw/zinc/60/41/18/1027604118.db2.gz AIZNMDROKCOOLQ-UHFFFAOYSA-N 1 1 325.408 3.655 20 30 EHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc2c1OCCO2 ZINC000513783549 1027604119 /nfs/dbraw/zinc/60/41/19/1027604119.db2.gz AIZNMDROKCOOLQ-UHFFFAOYSA-N 1 1 325.408 3.655 20 30 EHEDMO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)CC2CC2)c(OC)c1 ZINC000503218899 1027661196 /nfs/dbraw/zinc/66/11/96/1027661196.db2.gz QVQRRCFEUUBPGU-UHFFFAOYSA-N 1 1 336.435 3.988 20 30 EHEDMO C[C@H](CNc1snc(Cl)c1C#N)[N@@H+]1CCc2sccc2C1 ZINC000051903087 1027670273 /nfs/dbraw/zinc/67/02/73/1027670273.db2.gz QOQVHQNXGPDQAR-SECBINFHSA-N 1 1 338.889 3.588 20 30 EHEDMO C[C@H](CNc1snc(Cl)c1C#N)[N@H+]1CCc2sccc2C1 ZINC000051903087 1027670281 /nfs/dbraw/zinc/67/02/81/1027670281.db2.gz QOQVHQNXGPDQAR-SECBINFHSA-N 1 1 338.889 3.588 20 30 EHEDMO CC(C)(C)[N@H+]1CCCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000609961749 1027681745 /nfs/dbraw/zinc/68/17/45/1027681745.db2.gz JGMVYAFBMJZLCB-UHFFFAOYSA-N 1 1 325.378 3.888 20 30 EHEDMO C=C(C)C[NH+]1CCC(NCc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000106245347 1027686184 /nfs/dbraw/zinc/68/61/84/1027686184.db2.gz WMFYDNSOWWSRFE-UHFFFAOYSA-N 1 1 342.405 3.758 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C3CCCC3)C2)c(C#N)c1C ZINC000420961518 1027933797 /nfs/dbraw/zinc/93/37/97/1027933797.db2.gz ITXNFFSVRWWZCZ-CJNGLKHVSA-N 1 1 329.444 3.607 20 30 EHEDMO Cn1cc(C[N@H+]2CC[C@@H](C3CCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000420965659 1027934787 /nfs/dbraw/zinc/93/47/87/1027934787.db2.gz SUCMVXRNEMDRIC-LJQANCHMSA-N 1 1 334.467 3.971 20 30 EHEDMO N#Cc1cccc(-c2nnc(C[NH2+]C3(c4ccccc4)CCC3)o2)c1 ZINC000533489576 1027950236 /nfs/dbraw/zinc/95/02/36/1027950236.db2.gz SHAKSNYRUGANCP-UHFFFAOYSA-N 1 1 330.391 3.777 20 30 EHEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000533483789 1027973854 /nfs/dbraw/zinc/97/38/54/1027973854.db2.gz PKIGOQHYOYMCBM-KRWDZBQOSA-N 1 1 331.431 3.621 20 30 EHEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000533483789 1027973871 /nfs/dbraw/zinc/97/38/71/1027973871.db2.gz PKIGOQHYOYMCBM-KRWDZBQOSA-N 1 1 331.431 3.621 20 30 EHEDMO C#CCOc1ccccc1C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000237719980 1028033217 /nfs/dbraw/zinc/03/32/17/1028033217.db2.gz YWNJDKISNJOPTP-UHFFFAOYSA-N 1 1 335.325 3.887 20 30 EHEDMO Cc1cc(C)cc([C@H]2CC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)c1 ZINC000183491067 1028039213 /nfs/dbraw/zinc/03/92/13/1028039213.db2.gz MVYQHKNISAHDFS-IBGZPJMESA-N 1 1 347.462 3.993 20 30 EHEDMO CC[N@@H+](CCCCC(C)(C)C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000444597936 1028060101 /nfs/dbraw/zinc/06/01/01/1028060101.db2.gz STCJNWHUMVRHJZ-UHFFFAOYSA-N 1 1 326.444 3.877 20 30 EHEDMO CC(C)(C#N)CCCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000444598611 1028083732 /nfs/dbraw/zinc/08/37/32/1028083732.db2.gz RZZJJWUEAHOFOR-UHFFFAOYSA-N 1 1 347.890 3.818 20 30 EHEDMO N#Cc1ccccc1CSCC[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000187858724 1028088675 /nfs/dbraw/zinc/08/86/75/1028088675.db2.gz OMIDYDRWZVLGJT-LJQANCHMSA-N 1 1 348.475 3.894 20 30 EHEDMO C[C@@H]1CCC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@H]1CO ZINC000444660825 1028122498 /nfs/dbraw/zinc/12/24/98/1028122498.db2.gz GQOZRDYQBJGXII-KNQAVFIVSA-N 1 1 348.490 3.979 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(C)cc(C)c2)c(C#N)c1C ZINC000444693706 1028166099 /nfs/dbraw/zinc/16/60/99/1028166099.db2.gz IGGYRDKXRHDWQA-HNNXBMFYSA-N 1 1 339.439 3.844 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(C)cc(C)c2)c(C#N)c1C ZINC000444693706 1028166111 /nfs/dbraw/zinc/16/61/11/1028166111.db2.gz IGGYRDKXRHDWQA-HNNXBMFYSA-N 1 1 339.439 3.844 20 30 EHEDMO C=CCCNC(=S)N1CC[C@H]2[C@@H]1CC[N@@H+]2C[C@@H](CC)CCCC ZINC001279935937 1028172143 /nfs/dbraw/zinc/17/21/43/1028172143.db2.gz CUWMXOCLUHDZBE-BZSNNMDCSA-N 1 1 337.577 3.802 20 30 EHEDMO COc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000353624805 1028205520 /nfs/dbraw/zinc/20/55/20/1028205520.db2.gz DWTBNHBKYHGHQW-DYESRHJHSA-N 1 1 349.478 3.710 20 30 EHEDMO COc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000353624805 1028205532 /nfs/dbraw/zinc/20/55/32/1028205532.db2.gz DWTBNHBKYHGHQW-DYESRHJHSA-N 1 1 349.478 3.710 20 30 EHEDMO C=CC[C@H]1[N@@H+](Cc2nc3ccccc3c(=O)n2C)CCCC1(C)C ZINC000444780751 1028242270 /nfs/dbraw/zinc/24/22/70/1028242270.db2.gz FQDDRCLJNLKOSX-QGZVFWFLSA-N 1 1 325.456 3.500 20 30 EHEDMO C=CC[C@@H]1[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CCCC1(C)C ZINC000444773478 1028259522 /nfs/dbraw/zinc/25/95/22/1028259522.db2.gz DQQDXAWOLQYDTH-GJZGRUSLSA-N 1 1 346.437 3.854 20 30 EHEDMO C=CC[C@H]1[N@@H+](Cc2cc(-c3cnn(C)c3C)no2)CCCC1(C)C ZINC000444775245 1028265473 /nfs/dbraw/zinc/26/54/73/1028265473.db2.gz MHZISXRHZZLULR-GOSISDBHSA-N 1 1 328.460 3.950 20 30 EHEDMO N#Cc1ccc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000421330809 1028275826 /nfs/dbraw/zinc/27/58/26/1028275826.db2.gz YPTZJUWNENRGND-MRXNPFEDSA-N 1 1 343.471 3.761 20 30 EHEDMO N#Cc1ccc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000421330809 1028275844 /nfs/dbraw/zinc/27/58/44/1028275844.db2.gz YPTZJUWNENRGND-MRXNPFEDSA-N 1 1 343.471 3.761 20 30 EHEDMO C[C@@H](NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000502524504 1028287186 /nfs/dbraw/zinc/28/71/86/1028287186.db2.gz UKULEOHJGJTULI-QGZVFWFLSA-N 1 1 345.446 3.525 20 30 EHEDMO C[C@@H](NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000502524504 1028287210 /nfs/dbraw/zinc/28/72/10/1028287210.db2.gz UKULEOHJGJTULI-QGZVFWFLSA-N 1 1 345.446 3.525 20 30 EHEDMO N#Cc1ccc(C2=CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000502534626 1028312100 /nfs/dbraw/zinc/31/21/00/1028312100.db2.gz PWNCPWIFZDNLGE-UHFFFAOYSA-N 1 1 333.391 3.798 20 30 EHEDMO CC[C@H]1C[NH+](Cc2ccc(OC)c(OCCCC#N)c2)C[C@H](CC)O1 ZINC000421392654 1028365878 /nfs/dbraw/zinc/36/58/78/1028365878.db2.gz QVKLAGLXOSFKBY-ROUUACIJSA-N 1 1 346.471 3.767 20 30 EHEDMO C=CC[C@@H]1N(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CCCC1(C)C ZINC000444891551 1028376908 /nfs/dbraw/zinc/37/69/08/1028376908.db2.gz WTUYGSOYNPYEMJ-WBVHZDCISA-N 1 1 333.476 3.659 20 30 EHEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCCC[C@H]2CC)c(OC)c1 ZINC000523555667 1028422862 /nfs/dbraw/zinc/42/28/62/1028422862.db2.gz UCLWCLQXTKWGML-MOPGFXCFSA-N 1 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/nfs/dbraw/zinc/86/80/62/1028868062.db2.gz JGXDLXGYHBPHQN-LCYFTJDESA-N 1 1 336.361 3.676 20 30 EHEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC2(C1)CCCCC2 ZINC000532974144 1029151549 /nfs/dbraw/zinc/15/15/49/1029151549.db2.gz UFHDDYWTYMEEBD-UHFFFAOYSA-N 1 1 331.847 3.806 20 30 EHEDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2OC)c1 ZINC000533001746 1029161350 /nfs/dbraw/zinc/16/13/50/1029161350.db2.gz ITQDEECMGATLDW-LJQANCHMSA-N 1 1 336.435 3.783 20 30 EHEDMO Cc1ccc([C@@H](CNCc2ccc(C#N)cc2F)[NH+]2CCCC2)cc1 ZINC000532990223 1029172004 /nfs/dbraw/zinc/17/20/04/1029172004.db2.gz QXGXNHXQHGEWDC-OAQYLSRUSA-N 1 1 337.442 3.933 20 30 EHEDMO CC(C)(C#N)CC[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000272071065 1029297220 /nfs/dbraw/zinc/29/72/20/1029297220.db2.gz ZAPRKWRDXFZTGS-UHFFFAOYSA-N 1 1 348.878 3.819 20 30 EHEDMO C=CCC[C@H](C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000188780561 1029334300 /nfs/dbraw/zinc/33/43/00/1029334300.db2.gz OSLXMNYWJNRWOQ-QUCCMNQESA-N 1 1 328.500 3.973 20 30 EHEDMO C[C@@H]1CCN(c2ccc(Cl)c(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000078689374 1029428043 /nfs/dbraw/zinc/42/80/43/1029428043.db2.gz ADODCMFEPROVRZ-OAHLLOKOSA-N 1 1 340.858 3.707 20 30 EHEDMO CSCC[C@@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000163473399 1029466444 /nfs/dbraw/zinc/46/64/44/1029466444.db2.gz SWYLOPSAOJTCNP-QGZVFWFLSA-N 1 1 347.528 3.624 20 30 EHEDMO C=C[C@H](CC(=O)Nc1cccnc1-n1cc[nH+]c1C)c1ccccc1 ZINC000155392548 1029501608 /nfs/dbraw/zinc/50/16/08/1029501608.db2.gz QKONOMRDINFQRX-MRXNPFEDSA-N 1 1 332.407 3.874 20 30 EHEDMO C[C@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)c1cccc2ccccc21 ZINC000272641647 1029547653 /nfs/dbraw/zinc/54/76/53/1029547653.db2.gz XRDGEGKBVWWPML-INIZCTEOSA-N 1 1 335.451 3.643 20 30 EHEDMO C[C@@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)c1cccc2ccccc21 ZINC000272641649 1029548278 /nfs/dbraw/zinc/54/82/78/1029548278.db2.gz XRDGEGKBVWWPML-MRXNPFEDSA-N 1 1 335.451 3.643 20 30 EHEDMO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)cn2)c2ccccc2)cc1 ZINC000615092291 1029562309 /nfs/dbraw/zinc/56/23/09/1029562309.db2.gz XZWPGQHGCSNUAL-NRFANRHFSA-N 1 1 329.403 3.841 20 30 EHEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2C(C)(C)C)c(OC)c1 ZINC000525274248 1029767348 /nfs/dbraw/zinc/76/73/48/1029767348.db2.gz GIMJXXGSCSFQTN-FXAWDEMLSA-N 1 1 347.499 3.674 20 30 EHEDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000583412874 1029787130 /nfs/dbraw/zinc/78/71/30/1029787130.db2.gz AEYYPBODSVYCEP-MRXNPFEDSA-N 1 1 339.405 3.883 20 30 EHEDMO CC1(C)C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1ccccc1 ZINC000441100375 1029792723 /nfs/dbraw/zinc/79/27/23/1029792723.db2.gz YQYQLSJBMJANAZ-LJQANCHMSA-N 1 1 333.435 3.622 20 30 EHEDMO COC(=O)c1cccc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)c1C#N ZINC000533762889 1029793509 /nfs/dbraw/zinc/79/35/09/1029793509.db2.gz ZOEJKWILPBYVIQ-NRFANRHFSA-N 1 1 346.430 3.997 20 30 EHEDMO COC(=O)c1cccc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)c1C#N ZINC000533762889 1029793514 /nfs/dbraw/zinc/79/35/14/1029793514.db2.gz ZOEJKWILPBYVIQ-NRFANRHFSA-N 1 1 346.430 3.997 20 30 EHEDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000525461732 1029859057 /nfs/dbraw/zinc/85/90/57/1029859057.db2.gz HMLZOFQEVFSUGM-LBPRGKRZSA-N 1 1 346.837 3.677 20 30 EHEDMO C=CCn1c(C(C)C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508739370 1029871717 /nfs/dbraw/zinc/87/17/17/1029871717.db2.gz JSGIRLVFVPHDDU-QZTJIDSGSA-N 1 1 345.535 3.678 20 30 EHEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000667947344 1029958107 /nfs/dbraw/zinc/95/81/07/1029958107.db2.gz NLBXCSGUZKPBTQ-FQEVSTJZSA-N 1 1 327.424 3.678 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1ccc(C)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000447163586 1029988510 /nfs/dbraw/zinc/98/85/10/1029988510.db2.gz TYWSDWPTVSRZIQ-MRXNPFEDSA-N 1 1 336.439 3.673 20 30 EHEDMO C=CCCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000476534124 1030018718 /nfs/dbraw/zinc/01/87/18/1030018718.db2.gz MLTYCEKYECOAPU-DLBZAZTESA-N 1 1 332.875 3.948 20 30 EHEDMO C=CCCC1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000476534124 1030018733 /nfs/dbraw/zinc/01/87/33/1030018733.db2.gz MLTYCEKYECOAPU-DLBZAZTESA-N 1 1 332.875 3.948 20 30 EHEDMO C=CCC[C@H](NC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000458577430 1030056975 /nfs/dbraw/zinc/05/69/75/1030056975.db2.gz OSHLGDFXGIDPIC-MJGOQNOKSA-N 1 1 329.488 3.725 20 30 EHEDMO Cc1nc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)sc1SCC#N ZINC000329241172 1030087769 /nfs/dbraw/zinc/08/77/69/1030087769.db2.gz NHTRIIVPMUTVPH-GFCCVEGCSA-N 1 1 338.502 3.920 20 30 EHEDMO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000090450338 1030116059 /nfs/dbraw/zinc/11/60/59/1030116059.db2.gz KJLWPENFAJLBFO-IRXDYDNUSA-N 1 1 346.434 3.691 20 30 EHEDMO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000583594448 1030225129 /nfs/dbraw/zinc/22/51/29/1030225129.db2.gz YEYKSWBSIXIXQY-ZIAGYGMSSA-N 1 1 339.405 3.930 20 30 EHEDMO C=CC[N@H+](C)C[C@@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000121286933 1030237561 /nfs/dbraw/zinc/23/75/61/1030237561.db2.gz ABSAMYIZWSVSRT-RTWAWAEBSA-N 1 1 325.452 3.580 20 30 EHEDMO C=CCC[C@@H](NC(=O)NCCCCn1cc[nH+]c1C)c1ccccc1 ZINC000158803552 1030414710 /nfs/dbraw/zinc/41/47/10/1030414710.db2.gz RYWPCCZVYRVQQF-LJQANCHMSA-N 1 1 340.471 3.978 20 30 EHEDMO Clc1ccc(C#CCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246481059 1030511130 /nfs/dbraw/zinc/51/11/30/1030511130.db2.gz GNUKYXCDPDLPNZ-PXNSSMCTSA-N 1 1 328.887 3.640 20 30 EHEDMO CC(C)(C)[N@H+]1CCCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000532334089 1030557732 /nfs/dbraw/zinc/55/77/32/1030557732.db2.gz UYHNSSWWMLPVPV-UHFFFAOYSA-N 1 1 325.378 3.888 20 30 EHEDMO CCCC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@H](C)c1ccccc1 ZINC000532352104 1030577125 /nfs/dbraw/zinc/57/71/25/1030577125.db2.gz DQBGNZSHIDETRI-QZTJIDSGSA-N 1 1 329.488 3.858 20 30 EHEDMO CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1c(F)cccc1F ZINC000343398621 1030685063 /nfs/dbraw/zinc/68/50/63/1030685063.db2.gz OCODVUMVJSLNIB-UHFFFAOYSA-N 1 1 343.377 3.687 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1c(F)cccc1F ZINC000343398621 1030685072 /nfs/dbraw/zinc/68/50/72/1030685072.db2.gz OCODVUMVJSLNIB-UHFFFAOYSA-N 1 1 343.377 3.687 20 30 EHEDMO C=C(C)COc1cc(C[NH2+]C[C@H](C(C)C)N2CCCC2)ccc1OC ZINC000060947301 1030712950 /nfs/dbraw/zinc/71/29/50/1030712950.db2.gz COFIKNQWYDKNGH-LJQANCHMSA-N 1 1 346.515 3.860 20 30 EHEDMO C=CCCC(C)(C)NC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000666042281 1030897080 /nfs/dbraw/zinc/89/70/80/1030897080.db2.gz IFZANSGESKBKGI-MRXNPFEDSA-N 1 1 345.487 3.946 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2sccc2Br)c(F)c1 ZINC000148176380 1030963461 /nfs/dbraw/zinc/96/34/61/1030963461.db2.gz TVJNATQNNLSJMR-UHFFFAOYSA-N 1 1 325.206 3.811 20 30 EHEDMO Cc1cc(CNC(=O)N[C@@H]2CC23CCCCC3)cc(N2CCCC2)[nH+]1 ZINC000329537817 1031043760 /nfs/dbraw/zinc/04/37/60/1031043760.db2.gz BSRLDLVBSXFOOK-QGZVFWFLSA-N 1 1 342.487 3.717 20 30 EHEDMO C=CCOCCCC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000173498566 1031095312 /nfs/dbraw/zinc/09/53/12/1031095312.db2.gz PEHDBLLVNKCBIC-GOSISDBHSA-N 1 1 344.499 3.518 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccccc1NC(=O)N1CCCC1 ZINC000329548974 1031099717 /nfs/dbraw/zinc/09/97/17/1031099717.db2.gz FCOFLEIAUNSOTG-GASCZTMLSA-N 1 1 344.459 3.789 20 30 EHEDMO C=CCn1c(SCC[N@H+](C)Cc2ccccc2)nnc1C1CC1 ZINC000278535318 1031275997 /nfs/dbraw/zinc/27/59/97/1031275997.db2.gz JAUOESFZGWISEP-UHFFFAOYSA-N 1 1 328.485 3.566 20 30 EHEDMO C=CC[N@@H+](CCCOc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000477137432 1031276576 /nfs/dbraw/zinc/27/65/76/1031276576.db2.gz MVQJWYRGVSRRKV-UHFFFAOYSA-N 1 1 331.419 3.887 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000175435887 1031334511 /nfs/dbraw/zinc/33/45/11/1031334511.db2.gz ZIGWWKFJGIMCJW-HUUCEWRRSA-N 1 1 335.879 3.526 20 30 EHEDMO Cc1ccc(C#N)c(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000161139977 1031358030 /nfs/dbraw/zinc/35/80/30/1031358030.db2.gz WURFXMOXAMDADU-UHFFFAOYSA-N 1 1 334.467 3.610 20 30 EHEDMO CCc1ccc(C[NH+]2CCN(Cc3ccc(C#N)c(F)c3)CC2)s1 ZINC000483964922 1031418430 /nfs/dbraw/zinc/41/84/30/1031418430.db2.gz LPADERBEGBSGHN-UHFFFAOYSA-N 1 1 343.471 3.639 20 30 EHEDMO CCC(C#N)(CC)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000527979156 1031516990 /nfs/dbraw/zinc/51/69/90/1031516990.db2.gz KKQKWQJOUHNHTC-KRWDZBQOSA-N 1 1 341.499 3.865 20 30 EHEDMO Cc1ccc(C#N)c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000161391170 1031518172 /nfs/dbraw/zinc/51/81/72/1031518172.db2.gz QZRHYWPWTUYBPF-IHWFROFDSA-N 1 1 332.451 3.869 20 30 EHEDMO Cc1c[nH+]ccc1OC1CCN(c2ncc(Cl)c(C)c2C#N)CC1 ZINC000278586819 1031528853 /nfs/dbraw/zinc/52/88/53/1031528853.db2.gz YOWKDBJVFHTMKT-UHFFFAOYSA-N 1 1 342.830 3.666 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484350833 1031551653 /nfs/dbraw/zinc/55/16/53/1031551653.db2.gz LHENLZMLXQZMLV-KGLIPLIRSA-N 1 1 334.426 3.710 20 30 EHEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000477486974 1031588948 /nfs/dbraw/zinc/58/89/48/1031588948.db2.gz UNSWXPOGOQIGMV-KRWDZBQOSA-N 1 1 336.391 3.503 20 30 EHEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000475742748 1031754026 /nfs/dbraw/zinc/75/40/26/1031754026.db2.gz SPFMIZREVMVIOY-ILXRZTDVSA-N 1 1 331.485 3.607 20 30 EHEDMO C[C@@H]1[C@H](NC(=O)Nc2cccc(CC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000455904027 1031754620 /nfs/dbraw/zinc/75/46/20/1031754620.db2.gz JFPRWGKNMFVVEB-OXQOHEQNSA-N 1 1 348.450 3.537 20 30 EHEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000181958678 1032048176 /nfs/dbraw/zinc/04/81/76/1032048176.db2.gz PQCCONXEKAXTHD-OAGJVSPASA-N 1 1 345.512 3.768 20 30 EHEDMO C=CCC1(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC001127161755 1033307652 /nfs/dbraw/zinc/30/76/52/1033307652.db2.gz LVIOJJTWJINGLM-MSOLQXFVSA-N 1 1 326.484 3.854 20 30 EHEDMO COc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598587770 1033314954 /nfs/dbraw/zinc/31/49/54/1033314954.db2.gz VTYWTKJUIVVNKU-PKOBYXMFSA-N 1 1 330.472 3.913 20 30 EHEDMO Cc1ccc(CC[N@H+](Cc2ccco2)C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598591439 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349.475 3.507 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](CCF)C1 ZINC000595755920 1033984034 /nfs/dbraw/zinc/98/40/34/1033984034.db2.gz RLCZKFFLGORBGQ-CHWSQXEVSA-N 1 1 349.475 3.507 20 30 EHEDMO COc1cccc(C[C@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)c1 ZINC000603867945 1033994534 /nfs/dbraw/zinc/99/45/34/1033994534.db2.gz FLFLDWQEXZHRQL-LJQANCHMSA-N 1 1 336.435 3.653 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC000603869669 1033995655 /nfs/dbraw/zinc/99/56/55/1033995655.db2.gz ULCZPXJMNJQBFA-UHFFFAOYSA-N 1 1 333.501 3.948 20 30 EHEDMO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])C12CCC2 ZINC000595777967 1033997258 /nfs/dbraw/zinc/99/72/58/1033997258.db2.gz MUVWTHPGSQCJHH-DLBZAZTESA-N 1 1 343.427 3.682 20 30 EHEDMO C=CC[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000599526055 1034000994 /nfs/dbraw/zinc/00/09/94/1034000994.db2.gz COVHVEAWMGPYLT-AWEZNQCLSA-N 1 1 343.496 3.725 20 30 EHEDMO Cc1cc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)n2c3ccccc3nc2c1C#N 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CC[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000060469518 1034572538 /nfs/dbraw/zinc/57/25/38/1034572538.db2.gz APHBGWDESGUTND-IAGOWNOFSA-N 1 1 329.488 3.834 20 30 EHEDMO N#Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000385967262 1034585854 /nfs/dbraw/zinc/58/58/54/1034585854.db2.gz PNBYZTLMRSMCAP-YADHBBJMSA-N 1 1 331.463 3.512 20 30 EHEDMO Cc1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc2cccnc12 ZINC000597182475 1034586555 /nfs/dbraw/zinc/58/65/55/1034586555.db2.gz BTOOQFZQWNOFMY-UHFFFAOYSA-N 1 1 348.475 3.799 20 30 EHEDMO Cc1c(C#N)cccc1NC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000179702259 1034586581 /nfs/dbraw/zinc/58/65/81/1034586581.db2.gz ZOZXAGVHPAHIFC-OAHLLOKOSA-N 1 1 336.439 3.509 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CC2(C#N)CCCCC2)C1 ZINC000597236521 1034615378 /nfs/dbraw/zinc/61/53/78/1034615378.db2.gz RKHPSDAMVUBBLI-RTBURBONSA-N 1 1 345.531 3.964 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(CC#N)c2)cc1)C1CC1 ZINC000456735886 1034690290 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Cc1ccc(C#N)c(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000245743150 1130319741 /nfs/dbraw/zinc/31/97/41/1130319741.db2.gz MHYHBPVCHXHAFD-LEWJYISDSA-N 1 1 346.478 3.753 20 30 EHEDMO C=C(C)CCNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC001129192976 1130540889 /nfs/dbraw/zinc/54/08/89/1130540889.db2.gz HXFKUMJYJHCWGZ-KRWDZBQOSA-N 1 1 330.472 3.636 20 30 EHEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(CN=Nc2ccc(F)cn2)c1C ZINC000731318725 1130789312 /nfs/dbraw/zinc/78/93/12/1130789312.db2.gz NZFZNVIOSNJAER-GOSISDBHSA-N 1 1 343.450 3.569 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000732185290 1130894990 /nfs/dbraw/zinc/89/49/90/1130894990.db2.gz LXMNLOWXHOPPOF-GJZGRUSLSA-N 1 1 331.485 3.771 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000732185290 1130894998 /nfs/dbraw/zinc/89/49/98/1130894998.db2.gz LXMNLOWXHOPPOF-GJZGRUSLSA-N 1 1 331.485 3.771 20 30 EHEDMO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000732269659 1130908213 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EHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000734158844 1131205135 /nfs/dbraw/zinc/20/51/35/1131205135.db2.gz LZTOSEJQWJNIOY-ZIAGYGMSSA-N 1 1 331.485 3.760 20 30 EHEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000739856222 1131511871 /nfs/dbraw/zinc/51/18/71/1131511871.db2.gz FFTSWIGMMRDPLR-DNVCBOLYSA-N 1 1 337.471 3.983 20 30 EHEDMO CC(C)C[N@H+](CCC#N)Cc1cc2c(c(Br)c1)OCO2 ZINC000739914610 1131516447 /nfs/dbraw/zinc/51/64/47/1131516447.db2.gz LUHCGHNBUIJBQG-UHFFFAOYSA-N 1 1 339.233 3.549 20 30 EHEDMO CC(C)C[N@@H+](CCC#N)Cc1cc2c(c(Br)c1)OCO2 ZINC000739914610 1131516450 /nfs/dbraw/zinc/51/64/50/1131516450.db2.gz LUHCGHNBUIJBQG-UHFFFAOYSA-N 1 1 339.233 3.549 20 30 EHEDMO C=CCCOC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000740247261 1131522725 /nfs/dbraw/zinc/52/27/25/1131522725.db2.gz BQEHNSJUKNULDN-MRXNPFEDSA-N 1 1 327.346 3.560 20 30 EHEDMO C[C@H](CCCC#N)[N@H+]1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 ZINC001172494239 1131757662 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C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccc(C)cc1 ZINC000743843503 1131982233 /nfs/dbraw/zinc/98/22/33/1131982233.db2.gz ZWSFGQIUMBFIIZ-LJQANCHMSA-N 1 1 326.396 3.625 20 30 EHEDMO CCc1ccc(C[C@H](C)[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)cc1 ZINC001173244530 1132016452 /nfs/dbraw/zinc/01/64/52/1132016452.db2.gz XBEDJAIVAAGBLB-SFHVURJKSA-N 1 1 348.494 3.659 20 30 EHEDMO C#CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)C1CCCCC1 ZINC000744213824 1132046498 /nfs/dbraw/zinc/04/64/98/1132046498.db2.gz KLADACDKFMOZKY-INIZCTEOSA-N 1 1 330.447 3.613 20 30 EHEDMO C=CCOC1CCC([N@H+]2CCC[C@@H](Oc3cc(C)ccn3)C2)CC1 ZINC001173323292 1132047017 /nfs/dbraw/zinc/04/70/17/1132047017.db2.gz CPMOJBOGGDQKBT-CTWPCTMYSA-N 1 1 330.472 3.747 20 30 EHEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](C1CCC(CC#N)CC1)C2 ZINC001173332809 1132050081 /nfs/dbraw/zinc/05/00/81/1132050081.db2.gz GJSSRTYAFQFLJD-GUMHCPJTSA-N 1 1 332.488 3.533 20 30 EHEDMO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1C1CCC(CC#N)CC1 ZINC001173340301 1132054950 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C#CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(Cn2cccn2)c1 ZINC001181637211 1133504934 /nfs/dbraw/zinc/50/49/34/1133504934.db2.gz BRAOWODSDCVYMK-UHFFFAOYSA-N 1 1 345.446 3.575 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)NCCCC)cc1 ZINC001181708152 1133513999 /nfs/dbraw/zinc/51/39/99/1133513999.db2.gz TWERSUXEEUCXTR-IBGZPJMESA-N 1 1 328.456 3.549 20 30 EHEDMO C#C[C@H]([NH2+][C@@H]1C[C@H](OCC)[C@@H]1SC)c1ccc(Cl)cc1F ZINC001181697677 1133519771 /nfs/dbraw/zinc/51/97/71/1133519771.db2.gz MKBKDIKGZKJXCW-XUWVNRHRSA-N 1 1 327.852 3.652 20 30 EHEDMO CCCCC[N@@H+](C)CCC(=O)N1CCC(C#Cc2ccccc2)CC1 ZINC001181866036 1133542371 /nfs/dbraw/zinc/54/23/71/1133542371.db2.gz OLMKLZYXIKSOOY-UHFFFAOYSA-N 1 1 340.511 3.789 20 30 EHEDMO CCCC[N@@H+](CC)[C@@H](C(=O)Nc1oc(C)nc1C#N)c1ccccc1 ZINC001182232536 1133594044 /nfs/dbraw/zinc/59/40/44/1133594044.db2.gz PDORZVMNVJLHCM-QGZVFWFLSA-N 1 1 340.427 3.657 20 30 EHEDMO CC1(C#N)CN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)C1 ZINC001182242377 1133606971 /nfs/dbraw/zinc/60/69/71/1133606971.db2.gz BOSRODUREIBTKV-KRWDZBQOSA-N 1 1 345.874 3.629 20 30 EHEDMO C=CCc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc(OC)c1O ZINC000771935138 1133616728 /nfs/dbraw/zinc/61/67/28/1133616728.db2.gz JQEUZLRLNJJVTA-UHFFFAOYSA-N 1 1 340.467 3.827 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cc(C(=O)OC)co2)c1 ZINC000774243791 1133646194 /nfs/dbraw/zinc/64/61/94/1133646194.db2.gz NDAHAVQCEGCTAL-XJKSGUPXSA-N 1 1 342.395 3.598 20 30 EHEDMO C#CC[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)[C@H]1CCc2ccccc21 ZINC000772598210 1133706827 /nfs/dbraw/zinc/70/68/27/1133706827.db2.gz JOSRDHZPGCUFFW-QFIPXVFZSA-N 1 1 344.458 3.702 20 30 EHEDMO CC(C)(C#N)CC(=O)OC[C@]1(C)CCCC[N@H+]1Cc1ccccc1 ZINC000786489057 1133854586 /nfs/dbraw/zinc/85/45/86/1133854586.db2.gz SYJVEEIXUZTSJR-FQEVSTJZSA-N 1 1 328.456 3.914 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c(C)c(C)c(C)c(C)c1C ZINC001184425328 1133939666 /nfs/dbraw/zinc/93/96/66/1133939666.db2.gz PBZMTUAXAFNPFS-IBGZPJMESA-N 1 1 328.500 3.538 20 30 EHEDMO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)C1 ZINC001184783795 1133989834 /nfs/dbraw/zinc/98/98/34/1133989834.db2.gz QFFKQCGTOVIMRB-HKUYNNGSSA-N 1 1 326.484 3.712 20 30 EHEDMO C#CCC1(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000788233624 1134103827 /nfs/dbraw/zinc/10/38/27/1134103827.db2.gz WHYRSPPAWZLJOK-AZUAARDMSA-N 1 1 338.495 3.739 20 30 EHEDMO CCCC[N@@H+](CC)Cc1cccc(CNc2cc(C#N)nc(C)n2)c1 ZINC001185726130 1134124985 /nfs/dbraw/zinc/12/49/85/1134124985.db2.gz GDZPRZWDTFNBDQ-UHFFFAOYSA-N 1 1 337.471 3.891 20 30 EHEDMO C=CCN1CC[C@@]2(C[N@@H+]([C@@H]3CC[C@@H](C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001170139422 1134431338 /nfs/dbraw/zinc/43/13/38/1134431338.db2.gz UXKDVPDCGLNXOV-RQGSJKACSA-N 1 1 338.495 3.679 20 30 EHEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000791140607 1134510203 /nfs/dbraw/zinc/51/02/03/1134510203.db2.gz SDQREFDNBIRFGW-HNNXBMFYSA-N 1 1 329.444 3.571 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC001189285219 1134561214 /nfs/dbraw/zinc/56/12/14/1134561214.db2.gz LWMZKCNPKXTASH-CRAIPNDOSA-N 1 1 329.488 3.594 20 30 EHEDMO C#CC[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)[C@H]1CCc2ccccc21 ZINC001190529910 1134713188 /nfs/dbraw/zinc/71/31/88/1134713188.db2.gz XWVUCJRULHCJMO-XLIONFOSSA-N 1 1 326.484 3.502 20 30 EHEDMO C#CC[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)[C@H]1CCc2ccccc21 ZINC001190529910 1134713192 /nfs/dbraw/zinc/71/31/92/1134713192.db2.gz XWVUCJRULHCJMO-XLIONFOSSA-N 1 1 326.484 3.502 20 30 EHEDMO C#CC[N@H+](CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCc2ccccc21 ZINC001190529226 1134713427 /nfs/dbraw/zinc/71/34/27/1134713427.db2.gz PMGVAKDLANLYCR-LJQANCHMSA-N 1 1 342.483 3.866 20 30 EHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC001190642713 1134730590 /nfs/dbraw/zinc/73/05/90/1134730590.db2.gz GFUBWSGPNHLEKO-LJQANCHMSA-N 1 1 339.483 3.583 20 30 EHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC001190642713 1134730594 /nfs/dbraw/zinc/73/05/94/1134730594.db2.gz GFUBWSGPNHLEKO-LJQANCHMSA-N 1 1 339.483 3.583 20 30 EHEDMO N#CC1(c2ccccc2)CCC([NH+]2CC3(C2)CC(F)(F)CO3)CC1 ZINC001170395704 1134764288 /nfs/dbraw/zinc/76/42/88/1134764288.db2.gz MWUROLXVQUVSQN-UHFFFAOYSA-N 1 1 332.394 3.501 20 30 EHEDMO N#CC1(c2ccccc2)CCC([N@@H+]2CCc3cc(CO)ccc3C2)CC1 ZINC001170378500 1134766031 /nfs/dbraw/zinc/76/60/31/1134766031.db2.gz DOHRQDZZDGLQAI-UHFFFAOYSA-N 1 1 346.474 3.941 20 30 EHEDMO N#CC1(c2ccccc2)CCC(N2CCC([NH+]3CCCC3)CC2)CC1 ZINC001170377197 1134766079 /nfs/dbraw/zinc/76/60/79/1134766079.db2.gz XGGJJHNSUUQAPT-UHFFFAOYSA-N 1 1 337.511 3.951 20 30 EHEDMO CCC1(CC)CC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC001191539853 1134881241 /nfs/dbraw/zinc/88/12/41/1134881241.db2.gz HRIZTCRRMQTPSQ-GNZRSQJKSA-N 1 1 333.520 3.818 20 30 EHEDMO COC[C@@H]([NH2+]Cc1cc(Cl)cc(C#N)c1)c1ccc(F)c(F)c1 ZINC001192565832 1135030627 /nfs/dbraw/zinc/03/06/27/1135030627.db2.gz OIRYISIUOWSUFE-QGZVFWFLSA-N 1 1 336.769 3.967 20 30 EHEDMO C#CC[C@H]1CCC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000829815987 1135064640 /nfs/dbraw/zinc/06/46/40/1135064640.db2.gz XICDOZZXBORGKS-LBPRGKRZSA-N 1 1 333.229 3.826 20 30 EHEDMO C#CC[C@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000829816133 1135071493 /nfs/dbraw/zinc/07/14/93/1135071493.db2.gz ZYEXMTNUXHEFFQ-LBPRGKRZSA-N 1 1 333.229 3.826 20 30 EHEDMO CCc1nc(NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)cc(C)[nH+]1 ZINC000804456536 1135075109 /nfs/dbraw/zinc/07/51/09/1135075109.db2.gz ZMTLXFWMJZNPHY-OAHLLOKOSA-N 1 1 340.427 3.649 20 30 EHEDMO C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC12CCCCC2 ZINC001193637186 1135163001 /nfs/dbraw/zinc/16/30/01/1135163001.db2.gz RTIHYTHWKRLGOS-INIZCTEOSA-N 1 1 325.456 3.789 20 30 EHEDMO CCCCCCCOC(=O)N1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001194004953 1135213269 /nfs/dbraw/zinc/21/32/69/1135213269.db2.gz FWHMSLCJVVQDMC-SFHVURJKSA-N 1 1 340.508 3.669 20 30 EHEDMO CCCCCCCOC(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001194004435 1135213812 /nfs/dbraw/zinc/21/38/12/1135213812.db2.gz PHMGJXQFGGIUMD-UHFFFAOYSA-N 1 1 347.503 3.953 20 30 EHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCC[C@@H]1COC(=O)NC(C)C ZINC001194125945 1135229321 /nfs/dbraw/zinc/22/93/21/1135229321.db2.gz WVGHYNOQACUWNX-GOSISDBHSA-N 1 1 343.471 3.664 20 30 EHEDMO COc1ccc([C@H]2[C@H](COC(=O)CCCCCC#N)CC[N@H+]2C)cc1 ZINC000805884313 1135350827 /nfs/dbraw/zinc/35/08/27/1135350827.db2.gz RPUORGBSVYSHQN-PXNSSMCTSA-N 1 1 344.455 3.705 20 30 EHEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCSc3ccccc32)C1 ZINC001195954835 1135500470 /nfs/dbraw/zinc/50/04/70/1135500470.db2.gz MCFKQHWFPCEYMA-JKSUJKDBSA-N 1 1 330.497 3.802 20 30 EHEDMO C[N@H+](Cc1cccc(C#N)c1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000102397086 1135540782 /nfs/dbraw/zinc/54/07/82/1135540782.db2.gz YVBAIQGSKWNEPB-UHFFFAOYSA-N 1 1 343.471 3.637 20 30 EHEDMO CC(C)C[N@@H+](CCC(=O)N(C)CCC#N)Cc1cccc(Cl)c1 ZINC001196410383 1135559673 /nfs/dbraw/zinc/55/96/73/1135559673.db2.gz QCXLCJPEKWSJIQ-UHFFFAOYSA-N 1 1 335.879 3.560 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H](C)C2)cc1C ZINC000775729809 1135582212 /nfs/dbraw/zinc/58/22/12/1135582212.db2.gz TUAOKQRXJDZDLE-MRXNPFEDSA-N 1 1 327.472 3.672 20 30 EHEDMO C[C@H]1[C@@H](Nc2snc(Cl)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000808119920 1135619688 /nfs/dbraw/zinc/61/96/88/1135619688.db2.gz WVIPYHRDCSYATD-FZMZJTMJSA-N 1 1 332.860 3.743 20 30 EHEDMO Cc1cc(CNc2[nH+]ccc3[nH]cc(C#N)c32)ncc1Br ZINC001158321785 1135682194 /nfs/dbraw/zinc/68/21/94/1135682194.db2.gz UJJNHTGQLPCFAC-UHFFFAOYSA-N 1 1 342.200 3.513 20 30 EHEDMO CC[N@@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)[C@H](C)C(C)C ZINC000747529559 1135741181 /nfs/dbraw/zinc/74/11/81/1135741181.db2.gz VXRFCGBEFFQPES-GOSISDBHSA-N 1 1 329.488 3.917 20 30 EHEDMO COc1ccccc1N1CCC[N@@H+](Cc2c(C)cc(C#N)cc2C)CC1 ZINC001198633321 1135840921 /nfs/dbraw/zinc/84/09/21/1135840921.db2.gz ZVWFRPSJGWGGSF-UHFFFAOYSA-N 1 1 349.478 3.896 20 30 EHEDMO C#Cc1ccc(C[N@@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)cc1 ZINC000809561570 1135850785 /nfs/dbraw/zinc/85/07/85/1135850785.db2.gz ZQQDPHVXDZXBTL-OAQYLSRUSA-N 1 1 333.410 3.762 20 30 EHEDMO C#Cc1ccc(C[N@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)cc1 ZINC000809561570 1135850789 /nfs/dbraw/zinc/85/07/89/1135850789.db2.gz ZQQDPHVXDZXBTL-OAQYLSRUSA-N 1 1 333.410 3.762 20 30 EHEDMO C#Cc1ccc(CNc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000809599632 1135860853 /nfs/dbraw/zinc/86/08/53/1135860853.db2.gz IQVQQAXPZLTINI-UHFFFAOYSA-N 1 1 339.870 3.685 20 30 EHEDMO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809644097 1135864930 /nfs/dbraw/zinc/86/49/30/1135864930.db2.gz VTAYDEZZKJKBHU-XLIONFOSSA-N 1 1 338.451 3.751 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc1 ZINC000809771131 1135880732 /nfs/dbraw/zinc/88/07/32/1135880732.db2.gz DOBFTUHEIUFRRK-YJBOKZPZSA-N 1 1 346.471 3.739 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000809750524 1135885243 /nfs/dbraw/zinc/88/52/43/1135885243.db2.gz ZFXWZUZSXRIQPL-DOTOQJQBSA-N 1 1 344.455 3.531 20 30 EHEDMO N#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(O)c1 ZINC001201477781 1136033015 /nfs/dbraw/zinc/03/30/15/1136033015.db2.gz MIRLRLBPTOULHW-MOPGFXCFSA-N 1 1 331.419 3.997 20 30 EHEDMO N#Cc1cc(N)ccc1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201477334 1136033032 /nfs/dbraw/zinc/03/30/32/1136033032.db2.gz FEDTXHWNDOJFQQ-UXHICEINSA-N 1 1 330.435 3.873 20 30 EHEDMO CCCCCCC[N@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001201762370 1136060805 /nfs/dbraw/zinc/06/08/05/1136060805.db2.gz HTRPZGBHUKWPAX-XUVXKRRUSA-N 1 1 332.488 3.800 20 30 EHEDMO CCCCCCCC[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001201813598 1136064866 /nfs/dbraw/zinc/06/48/66/1136064866.db2.gz GWYIKTKMWYUZED-UHFFFAOYSA-N 1 1 332.536 3.698 20 30 EHEDMO CCCCCCCC[N@H+]1CCc2ncc(CN3CCCC3)n2CC1 ZINC001201813598 1136064871 /nfs/dbraw/zinc/06/48/71/1136064871.db2.gz GWYIKTKMWYUZED-UHFFFAOYSA-N 1 1 332.536 3.698 20 30 EHEDMO CCCCCCCC[N@@H+]1CCc2ncc(CN3CCCC3)n2CC1 ZINC001201813598 1136064875 /nfs/dbraw/zinc/06/48/75/1136064875.db2.gz GWYIKTKMWYUZED-UHFFFAOYSA-N 1 1 332.536 3.698 20 30 EHEDMO CCCCCCCCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001201852655 1136066739 /nfs/dbraw/zinc/06/67/39/1136066739.db2.gz GDDBKSIRFTWSJO-MOPGFXCFSA-N 1 1 346.519 3.507 20 30 EHEDMO CCCCCCCCCCS(=O)(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001201836470 1136068861 /nfs/dbraw/zinc/06/88/61/1136068861.db2.gz IALGVIDHVYFGED-SFHVURJKSA-N 1 1 344.565 3.627 20 30 EHEDMO CCCCCCCCC[N@H+]1C[C@H]2CN(c3cccnc3)C(=O)[C@H]2C1 ZINC001201847152 1136070100 /nfs/dbraw/zinc/07/01/00/1136070100.db2.gz RWUMJLBJFNFUNN-HKUYNNGSSA-N 1 1 329.488 3.727 20 30 EHEDMO C=CC[N@@H+](CC1CCCCC1)CN1C(=O)C2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811745560 1136128974 /nfs/dbraw/zinc/12/89/74/1136128974.db2.gz PAKVICPHSLIZDN-OALUTQOASA-N 1 1 346.515 3.572 20 30 EHEDMO C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(C)(C)C ZINC000812134499 1136177709 /nfs/dbraw/zinc/17/77/09/1136177709.db2.gz RYZJHCNDRDVROA-KBXCAEBGSA-N 1 1 338.455 3.589 20 30 EHEDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc(C)c(C#N)c3)cc2)c1C ZINC000812740003 1136240741 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CC(C)(C#N)CCC[N@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852334184 1136450128 /nfs/dbraw/zinc/45/01/28/1136450128.db2.gz IBHCFYSAHDBGQB-UHFFFAOYSA-N 1 1 339.361 3.833 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000852533432 1136463290 /nfs/dbraw/zinc/46/32/90/1136463290.db2.gz UREFMVPWLFAHRG-ROUUACIJSA-N 1 1 345.462 3.702 20 30 EHEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000852712686 1136479168 /nfs/dbraw/zinc/47/91/68/1136479168.db2.gz TYFNJZFBUZZJHS-UAGQMJEPSA-N 1 1 348.450 3.877 20 30 EHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCCC[C@@H]2C2OCCO2)cc1 ZINC000110990923 1136494806 /nfs/dbraw/zinc/49/48/06/1136494806.db2.gz NTLGJDFNKWDURR-OAQYLSRUSA-N 1 1 348.446 3.953 20 30 EHEDMO Cc1cc(COC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)ccc1C#N ZINC000815445597 1136596628 /nfs/dbraw/zinc/59/66/28/1136596628.db2.gz CTOPRLBYESZOGU-IBGZPJMESA-N 1 1 326.440 3.707 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@H]2C2CCOCC2)c1O ZINC000776769345 1136659372 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CCCCCCC[C@@H](CC)[NH2+][C@@H](CCC(N)=O)C(=O)OC(C)(C)C ZINC001172350159 1137553438 /nfs/dbraw/zinc/55/34/38/1137553438.db2.gz KKKIZUKXOJDXMA-CVEARBPZSA-N 1 1 342.524 3.691 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCO[C@@]2(CCCN(C(C)=O)C2)C1 ZINC001172355064 1137554116 /nfs/dbraw/zinc/55/41/16/1137554116.db2.gz MEQGHOLHNVPINV-WOJBJXKFSA-N 1 1 338.536 3.839 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC001172356934 1137554194 /nfs/dbraw/zinc/55/41/94/1137554194.db2.gz ZTAPWVPAEQHGJT-ZACQAIPSSA-N 1 1 341.492 3.552 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC001172356934 1137554196 /nfs/dbraw/zinc/55/41/96/1137554196.db2.gz ZTAPWVPAEQHGJT-ZACQAIPSSA-N 1 1 341.492 3.552 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001172356796 1137554302 /nfs/dbraw/zinc/55/43/02/1137554302.db2.gz YIGBEZVVFQDZHQ-DLBZAZTESA-N 1 1 336.524 3.890 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001172356796 1137554303 /nfs/dbraw/zinc/55/43/03/1137554303.db2.gz YIGBEZVVFQDZHQ-DLBZAZTESA-N 1 1 336.524 3.890 20 30 EHEDMO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)C(=O)Nc1ccc(C)cc1 ZINC000871877538 1137561988 /nfs/dbraw/zinc/56/19/88/1137561988.db2.gz MJFMNYQNUUJQBR-GOSISDBHSA-N 1 1 325.387 3.513 20 30 EHEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@@H]2CCCc3cc(OC)ccc32)no1 ZINC000872178748 1137575339 /nfs/dbraw/zinc/57/53/39/1137575339.db2.gz RODZWPZFGBPFOI-CABCVRRESA-N 1 1 333.819 3.689 20 30 EHEDMO C[C@@H](C#N)C[N@@H+](C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000876792100 1137661368 /nfs/dbraw/zinc/66/13/68/1137661368.db2.gz RRZOZLYACDVVOO-HOTGVXAUSA-N 1 1 335.492 3.648 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877020108 1137667795 /nfs/dbraw/zinc/66/77/95/1137667795.db2.gz KXNVPPZHWOALKQ-RDTXWAMCSA-N 1 1 340.858 3.532 20 30 EHEDMO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877020108 1137667796 /nfs/dbraw/zinc/66/77/96/1137667796.db2.gz KXNVPPZHWOALKQ-RDTXWAMCSA-N 1 1 340.858 3.532 20 30 EHEDMO C#C[C@H]([NH2+]Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)C(C)(C)C ZINC000877535029 1137680210 /nfs/dbraw/zinc/68/02/10/1137680210.db2.gz SDMXTEPMPDCLJU-AWEZNQCLSA-N 1 1 349.475 3.572 20 30 EHEDMO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccc(C3(C#N)CC3)cc1)CC2 ZINC000877817304 1137691313 /nfs/dbraw/zinc/69/13/13/1137691313.db2.gz KKMOEJPXNUQIBM-UHFFFAOYSA-N 1 1 345.446 3.758 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1Cc2ccccc2C[C@@H]1C)c1ccccc1 ZINC000878132090 1137703838 /nfs/dbraw/zinc/70/38/38/1137703838.db2.gz KSGZXHINAFPAFA-JTSKRJEESA-N 1 1 332.447 3.874 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCS[C@@H](C(C)C)C1)c1ccccc1 ZINC000878152665 1137704820 /nfs/dbraw/zinc/70/48/20/1137704820.db2.gz XOQKFYIPMIUQSZ-MOPGFXCFSA-N 1 1 330.497 3.500 20 30 EHEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000878388910 1137713894 /nfs/dbraw/zinc/71/38/94/1137713894.db2.gz UTMUDWOGFHOXSW-HOCLYGCPSA-N 1 1 330.476 3.682 20 30 EHEDMO CC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000878625575 1137722771 /nfs/dbraw/zinc/72/27/71/1137722771.db2.gz XNBAGNVZZXSVGS-TZIWHRDSSA-N 1 1 342.483 3.707 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@]2(CC2(F)F)C1)c1ccccc1 ZINC000878812162 1137728901 /nfs/dbraw/zinc/72/89/01/1137728901.db2.gz RFPSUEDOUZVQEZ-ROUUACIJSA-N 1 1 332.394 3.548 20 30 EHEDMO Cc1sc(NC(=O)C[N@H+](C)CCc2cccc(C#N)c2)c(C)c1C ZINC000879434866 1137747794 /nfs/dbraw/zinc/74/77/94/1137747794.db2.gz ZUSSBYHARUWHJI-UHFFFAOYSA-N 1 1 341.480 3.658 20 30 EHEDMO Cc1sc(NC(=O)C[N@@H+](C)CCc2cccc(C#N)c2)c(C)c1C ZINC000879434866 1137747795 /nfs/dbraw/zinc/74/77/95/1137747795.db2.gz ZUSSBYHARUWHJI-UHFFFAOYSA-N 1 1 341.480 3.658 20 30 EHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cc(Cl)ccc1OCC#N ZINC000879434746 1137747798 /nfs/dbraw/zinc/74/77/98/1137747798.db2.gz XZYHASWETYBKQO-UHFFFAOYSA-N 1 1 339.826 3.789 20 30 EHEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](CF)C2)sc2c1CCCC2 ZINC000880233142 1137771736 /nfs/dbraw/zinc/77/17/36/1137771736.db2.gz BKAMJXBFYYVJCM-ZDUSSCGKSA-N 1 1 349.475 3.509 20 30 EHEDMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880275678 1137772891 /nfs/dbraw/zinc/77/28/91/1137772891.db2.gz UBODHGIGCCQCEF-FUHWJXTLSA-N 1 1 333.439 3.700 20 30 EHEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880275678 1137772892 /nfs/dbraw/zinc/77/28/92/1137772892.db2.gz UBODHGIGCCQCEF-FUHWJXTLSA-N 1 1 333.439 3.700 20 30 EHEDMO CC(C)C(N)=[NH+]O[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000128571961 1137785961 /nfs/dbraw/zinc/78/59/61/1137785961.db2.gz UAOFTGOXNJPCHT-SECBINFHSA-N 1 1 342.321 3.761 20 30 EHEDMO C=C(C)[C@@H]([NH2+]Cc1c2c(nn1C)CCSC2)c1ccc(F)c(F)c1 ZINC000883091817 1137844448 /nfs/dbraw/zinc/84/44/48/1137844448.db2.gz XYBDVABJNSURSX-GOSISDBHSA-N 1 1 349.450 3.895 20 30 EHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(Br)c1O ZINC000131186112 1137847795 /nfs/dbraw/zinc/84/77/95/1137847795.db2.gz MQGWSUSYPNJVOB-UHFFFAOYSA-N 1 1 331.213 3.658 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(Br)c1O ZINC000131186112 1137847796 /nfs/dbraw/zinc/84/77/96/1137847796.db2.gz MQGWSUSYPNJVOB-UHFFFAOYSA-N 1 1 331.213 3.658 20 30 EHEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000115552397 1137922265 /nfs/dbraw/zinc/92/22/65/1137922265.db2.gz KYPXHYBPNIZHPG-LPHOPBHVSA-N 1 1 333.435 3.765 20 30 EHEDMO CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000117344406 1137929951 /nfs/dbraw/zinc/92/99/51/1137929951.db2.gz NEROXFLDXZJFNW-HNNXBMFYSA-N 1 1 331.485 3.753 20 30 EHEDMO CSc1ccccc1C[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000348313145 1137938296 /nfs/dbraw/zinc/93/82/96/1137938296.db2.gz GNYOVUYEKPAIBN-UHFFFAOYSA-N 1 1 345.493 3.802 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000121063245 1137954740 /nfs/dbraw/zinc/95/47/40/1137954740.db2.gz NVXNQVNMGMWJDI-LJQANCHMSA-N 1 1 336.435 3.606 20 30 EHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1 ZINC000134783354 1137960714 /nfs/dbraw/zinc/96/07/14/1137960714.db2.gz YXHFRZFMHCZSCB-ICSRJNTNSA-N 1 1 342.389 3.925 20 30 EHEDMO CCOc1ccc(C2=CC[N@@H+](C[C@@H](O)CC3(C#N)CCC3)CC2)cc1 ZINC000886100758 1138046622 /nfs/dbraw/zinc/04/66/22/1138046622.db2.gz WZGRAZUWOVBQGC-IBGZPJMESA-N 1 1 340.467 3.619 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000886357882 1138070343 /nfs/dbraw/zinc/07/03/43/1138070343.db2.gz MYWICFMJFZQMDF-ZDUSSCGKSA-N 1 1 345.240 3.949 20 30 EHEDMO C#CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000886359344 1138070711 /nfs/dbraw/zinc/07/07/11/1138070711.db2.gz ATCCCYBXNIOSPA-VXGBXAGGSA-N 1 1 325.239 3.666 20 30 EHEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000886359344 1138070712 /nfs/dbraw/zinc/07/07/12/1138070712.db2.gz ATCCCYBXNIOSPA-VXGBXAGGSA-N 1 1 325.239 3.666 20 30 EHEDMO CC(C)[N@@H+](CC(=O)Nc1ccccc1SCC#N)C1CCCC1 ZINC000072600912 1138106238 /nfs/dbraw/zinc/10/62/38/1138106238.db2.gz KLPTVDGKXBREOI-UHFFFAOYSA-N 1 1 331.485 3.894 20 30 EHEDMO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000886769127 1138136617 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C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(-c3ccsc3)cc2)C1=O ZINC000337202378 1138494254 /nfs/dbraw/zinc/49/42/54/1138494254.db2.gz DXKYAABSWMXQRY-GOSISDBHSA-N 1 1 326.465 3.634 20 30 EHEDMO CCOc1c(OC)cc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1OC ZINC000131199390 1138501857 /nfs/dbraw/zinc/50/18/57/1138501857.db2.gz OXCCKMWPQSJZGJ-UHFFFAOYSA-N 1 1 340.423 3.606 20 30 EHEDMO N#CCc1ccc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000337457613 1138574655 /nfs/dbraw/zinc/57/46/55/1138574655.db2.gz XVVPWQREEVLBNJ-IBGZPJMESA-N 1 1 334.467 3.665 20 30 EHEDMO Cc1ccccc1[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000337628797 1138626486 /nfs/dbraw/zinc/62/64/86/1138626486.db2.gz BWGXMIXOGNZRFO-WMZOPIPTSA-N 1 1 333.435 3.683 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000174817988 1139444192 /nfs/dbraw/zinc/44/41/92/1139444192.db2.gz OEHWOWRITSFPEM-GOSISDBHSA-N 1 1 342.487 3.993 20 30 EHEDMO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccc(F)c1F ZINC000181978445 1139943272 /nfs/dbraw/zinc/94/32/72/1139943272.db2.gz MBWYAWGROTWSBX-CQSZACIVSA-N 1 1 343.377 3.562 20 30 EHEDMO C[C@H](NC(=O)Nc1ccc(CC#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182923314 1140002014 /nfs/dbraw/zinc/00/20/14/1140002014.db2.gz YWBWSXIUKKNBKC-DOTOQJQBSA-N 1 1 340.471 3.527 20 30 EHEDMO C=C(C)CN1CCC([NH2+]Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000183737996 1140055333 /nfs/dbraw/zinc/05/53/33/1140055333.db2.gz VPXRZXSHTFJSRW-UHFFFAOYSA-N 1 1 330.520 3.598 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000185156344 1140138316 /nfs/dbraw/zinc/13/83/16/1140138316.db2.gz SISAMGMILUQMRL-UHFFFAOYSA-N 1 1 328.500 3.959 20 30 EHEDMO C[C@@H](NCc1ccc(Cl)cc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000187490200 1140257041 /nfs/dbraw/zinc/25/70/41/1140257041.db2.gz BIJRNHDCPJUUGL-ZBFHGGJFSA-N 1 1 331.891 3.954 20 30 EHEDMO C=CCOc1cccc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c1 ZINC000187658296 1140266440 /nfs/dbraw/zinc/26/64/40/1140266440.db2.gz WPPHJGUGAPIVRY-UHFFFAOYSA-N 1 1 327.346 3.595 20 30 EHEDMO CCOC[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191791409 1140485646 /nfs/dbraw/zinc/48/56/46/1140485646.db2.gz IOGKIIMWKMQQIL-CQSZACIVSA-N 1 1 337.261 3.569 20 30 EHEDMO C[C@@H](O)[C@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193095219 1140563017 /nfs/dbraw/zinc/56/30/17/1140563017.db2.gz HPKANSBZCKYECY-MOPGFXCFSA-N 1 1 334.463 3.589 20 30 EHEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000267037753 1140752674 /nfs/dbraw/zinc/75/26/74/1140752674.db2.gz ODHXEYNPGJHUEO-OYLFLEFRSA-N 1 1 342.464 3.519 20 30 EHEDMO CC[N@@H+](C)C[C@H]1CCN(c2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000267245544 1140771582 /nfs/dbraw/zinc/77/15/82/1140771582.db2.gz NHDBVAQNKADUHN-CYBMUJFWSA-N 1 1 328.847 3.538 20 30 EHEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc(CC)[nH]2)cc1 ZINC000271426666 1141363910 /nfs/dbraw/zinc/36/39/10/1141363910.db2.gz CPHBYASHQGIVMY-CHWSQXEVSA-N 1 1 334.851 3.910 20 30 EHEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc(CC)[nH]2)cc1 ZINC000271426678 1141363935 /nfs/dbraw/zinc/36/39/35/1141363935.db2.gz CPHBYASHQGIVMY-STQMWFEESA-N 1 1 334.851 3.910 20 30 EHEDMO C[C@@H](NCCC[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000271619233 1141407921 /nfs/dbraw/zinc/40/79/21/1141407921.db2.gz CNTDAVWLDHYERW-IAGOWNOFSA-N 1 1 332.451 3.821 20 30 EHEDMO CN(C)CC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc2[nH]ccc21 ZINC000348926910 1141610836 /nfs/dbraw/zinc/61/08/36/1141610836.db2.gz YYUZYOZEGHWWQR-UHFFFAOYSA-N 1 1 332.451 3.603 20 30 EHEDMO CN(C)CC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2[nH]ccc21 ZINC000348926910 1141610839 /nfs/dbraw/zinc/61/08/39/1141610839.db2.gz YYUZYOZEGHWWQR-UHFFFAOYSA-N 1 1 332.451 3.603 20 30 EHEDMO C[N@@H+](Cc1ccccn1)[C@H]1CCCN(Cc2cc(C#N)cs2)CC1 ZINC000328628003 258030952 /nfs/dbraw/zinc/03/09/52/258030952.db2.gz GTIURDAKDIUGJC-SFHVURJKSA-N 1 1 340.496 3.501 20 30 EHEDMO CN(Cc1ccccn1)[C@H]1CCC[N@H+](Cc2cc(C#N)cs2)CC1 ZINC000328628003 258030953 /nfs/dbraw/zinc/03/09/53/258030953.db2.gz GTIURDAKDIUGJC-SFHVURJKSA-N 1 1 340.496 3.501 20 30 EHEDMO CN(Cc1ccccn1)[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)CC1 ZINC000328628003 258030954 /nfs/dbraw/zinc/03/09/54/258030954.db2.gz GTIURDAKDIUGJC-SFHVURJKSA-N 1 1 340.496 3.501 20 30 EHEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001573342336 947541540 /nfs/dbraw/zinc/54/15/40/947541540.db2.gz WPFPORZWWTWZEG-OALUTQOASA-N 1 1 349.413 3.550 20 30 EHEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(Cc2cccc(OCCCC#N)c2)C[C@@H](C)C1 ZINC000430140964 1014299451 /nfs/dbraw/zinc/29/94/51/1014299451.db2.gz VWVCJJPIKIFLPZ-OPYAIIAOSA-N 1 1 341.499 3.531 20 30 EHEDMO C=CCN(Cc1ccccc1F)C(=O)CCn1cc[nH+]c1C(C)C ZINC000074226741 1014404278 /nfs/dbraw/zinc/40/42/78/1014404278.db2.gz JEFVFUJRNWZJGQ-UHFFFAOYSA-N 1 1 329.419 3.751 20 30 EHEDMO C=C(C)C[N@@H+](CC)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000301313919 1014449907 /nfs/dbraw/zinc/44/99/07/1014449907.db2.gz IQFHXRPBGJVJJR-HXUWFJFHSA-N 1 1 325.452 3.991 20 30 EHEDMO Cc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1Cl ZINC000430186323 1014661639 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346.434 3.891 20 30 EHEDMO N#CCCCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000449451073 1032568344 /nfs/dbraw/zinc/56/83/44/1032568344.db2.gz HQVYKGZQOZUFNJ-PWRODBHTSA-N 1 1 342.483 3.885 20 30 EHEDMO CC(C)CCn1nc(C[NH2+]Cc2cc(C#N)n(C)c2)c2ccccc21 ZINC000449488004 1032646884 /nfs/dbraw/zinc/64/68/84/1032646884.db2.gz BSPPKKDWIZLEJU-UHFFFAOYSA-N 1 1 335.455 3.582 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)nc1 ZINC000593968232 1032663303 /nfs/dbraw/zinc/66/33/03/1032663303.db2.gz NYESXWQODKGLGH-AWEZNQCLSA-N 1 1 336.370 3.613 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(-c3cccnc3)c2)n1 ZINC000377052403 1017292215 /nfs/dbraw/zinc/29/22/15/1017292215.db2.gz NYKGWTSYXPZOSN-UHFFFAOYSA-N 1 1 330.435 3.600 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)Cc2cccc(-c3cccnc3)c2)n1 ZINC000377052403 1017292226 /nfs/dbraw/zinc/29/22/26/1017292226.db2.gz NYKGWTSYXPZOSN-UHFFFAOYSA-N 1 1 330.435 3.600 20 30 EHEDMO CCO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C ZINC000449510975 1032696597 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WSJLFFRZAJVCEF-ZACQAIPSSA-N 1 1 335.875 3.888 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000610433346 1019089848 /nfs/dbraw/zinc/08/98/48/1019089848.db2.gz CUOUYNDCSKUEGX-FQEVSTJZSA-N 1 1 344.462 3.517 20 30 EHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000340663615 1019130394 /nfs/dbraw/zinc/13/03/94/1019130394.db2.gz XOPIRBYINRGQFC-WFASDCNBSA-N 1 1 341.480 3.636 20 30 EHEDMO N#CC1(C[NH2+]Cc2c(-c3ccc(F)cc3)nc3ccc(F)cn32)CC1 ZINC000894205555 1019169165 /nfs/dbraw/zinc/16/91/65/1019169165.db2.gz XHYXSNFXHFMXSP-UHFFFAOYSA-N 1 1 338.361 3.673 20 30 EHEDMO N#CCOc1ccc(CN2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000729267961 1019254411 /nfs/dbraw/zinc/25/44/11/1019254411.db2.gz BTJHHXADLATTHV-UHFFFAOYSA-N 1 1 341.499 3.677 20 30 EHEDMO CN(c1nc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cs1)C1CC1 ZINC000594031854 1032819268 /nfs/dbraw/zinc/81/92/68/1032819268.db2.gz LUFJWOHUNHCGOT-UHFFFAOYSA-N 1 1 338.480 3.782 20 30 EHEDMO 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EHEDMO C=CC[C@H]1CCCC[C@H]1Nc1ncnc2c1cnn2-c1cc[nH+]cc1 ZINC000656472282 1020678672 /nfs/dbraw/zinc/67/86/72/1020678672.db2.gz HCSRUKWYBVPHFQ-WMLDXEAASA-N 1 1 334.427 3.757 20 30 EHEDMO COc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1C#N ZINC000135228031 1020918903 /nfs/dbraw/zinc/91/89/03/1020918903.db2.gz JGDIUTSZYJKHGA-UHFFFAOYSA-N 1 1 337.379 3.640 20 30 EHEDMO COc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1C#N ZINC000135228031 1020918909 /nfs/dbraw/zinc/91/89/09/1020918909.db2.gz JGDIUTSZYJKHGA-UHFFFAOYSA-N 1 1 337.379 3.640 20 30 EHEDMO C=CCn1cccc1C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000341077121 1020956491 /nfs/dbraw/zinc/95/64/91/1020956491.db2.gz IVCGOYAMSLKYGH-SFHVURJKSA-N 1 1 349.434 3.528 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2cccc3c2OCO3)cc1 ZINC000255317772 1021024465 /nfs/dbraw/zinc/02/44/65/1021024465.db2.gz PNGJFBPGGOMTHZ-YFHOEESVSA-N 1 1 332.359 3.806 20 30 EHEDMO CC(C)(CCC#N)C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000426398424 1021488701 /nfs/dbraw/zinc/48/87/01/1021488701.db2.gz WRRGHONXHPGGIG-UHFFFAOYSA-N 1 1 345.306 3.635 20 30 EHEDMO C=CCN(Cc1ccccc1)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000516688654 1021661657 /nfs/dbraw/zinc/66/16/57/1021661657.db2.gz GCEAPLKTLNQPHC-ZWKOTPCHSA-N 1 1 329.488 3.505 20 30 EHEDMO CC[C@H](Nc1ccc(C#N)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471691419 1021722754 /nfs/dbraw/zinc/72/27/54/1021722754.db2.gz BDADYCLPWHCDAL-SFTDATJTSA-N 1 1 335.451 3.650 20 30 EHEDMO CC[C@H](Nc1ccc(C#N)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471691419 1021722768 /nfs/dbraw/zinc/72/27/68/1021722768.db2.gz BDADYCLPWHCDAL-SFTDATJTSA-N 1 1 335.451 3.650 20 30 EHEDMO Clc1cnn(C2CC[NH+](CC#Cc3ccccc3Cl)CC2)c1 ZINC000506038131 1021752939 /nfs/dbraw/zinc/75/29/39/1021752939.db2.gz YMLCVEYUUHTFES-UHFFFAOYSA-N 1 1 334.250 3.879 20 30 EHEDMO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CCCC(C)(C)C#N ZINC000471708084 1021788507 /nfs/dbraw/zinc/78/85/07/1021788507.db2.gz ZGGXOFYCPDKKKW-UHFFFAOYSA-N 1 1 337.851 3.549 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000519170356 1021911942 /nfs/dbraw/zinc/91/19/42/1021911942.db2.gz QJZGYIWIBQKIDQ-SFHVURJKSA-N 1 1 342.826 3.874 20 30 EHEDMO C=C(C)COc1cc(C[NH2+]C[C@@H](C(C)C)N2CCCC2)ccc1OC ZINC000520207587 1022022462 /nfs/dbraw/zinc/02/24/62/1022022462.db2.gz COFIKNQWYDKNGH-IBGZPJMESA-N 1 1 346.515 3.860 20 30 EHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](CCC#N)c2ccccc2)C[C@H]1C ZINC000440251345 1022051035 /nfs/dbraw/zinc/05/10/35/1022051035.db2.gz BCCAZMBNNCEIGP-NZSAHSFTSA-N 1 1 342.487 3.546 20 30 EHEDMO C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000506129836 1022136499 /nfs/dbraw/zinc/13/64/99/1022136499.db2.gz DKKYWXHXNUHCDJ-SJORKVTESA-N 1 1 347.462 3.746 20 30 EHEDMO C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000506129836 1022136510 /nfs/dbraw/zinc/13/65/10/1022136510.db2.gz DKKYWXHXNUHCDJ-SJORKVTESA-N 1 1 347.462 3.746 20 30 EHEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCC(C)CC2)c(OC)c1 ZINC000060845668 1033031804 /nfs/dbraw/zinc/03/18/04/1033031804.db2.gz OIFJSGXDLZFITJ-KVZIAJEVSA-N 1 1 347.499 3.674 20 30 EHEDMO CC[N@@H+]([C@H](C)c1ccc(C#N)cc1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891657437 1022244673 /nfs/dbraw/zinc/24/46/73/1022244673.db2.gz VJNBULROBLMWEJ-FHLIZLRMSA-N 1 1 332.419 3.575 20 30 EHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3(C#N)CCCC3)cc2)C1 ZINC000046156017 1022264980 /nfs/dbraw/zinc/26/49/80/1022264980.db2.gz DLJRWGQIMUZSCL-INIZCTEOSA-N 1 1 325.456 3.941 20 30 EHEDMO CC[N@@H+](Cc1ccccc1C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000134015704 1022272547 /nfs/dbraw/zinc/27/25/47/1022272547.db2.gz KFAOHJXAAILWJC-HNNXBMFYSA-N 1 1 339.439 3.926 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000602651508 1033039571 /nfs/dbraw/zinc/03/95/71/1033039571.db2.gz RUTZDXIAMFEXAA-ICSRJNTNSA-N 1 1 341.499 3.530 20 30 EHEDMO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)c1C#N ZINC000550379923 1022382557 /nfs/dbraw/zinc/38/25/57/1022382557.db2.gz IGHORAWOOOPVAD-HXUWFJFHSA-N 1 1 334.419 3.990 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)c1C#N ZINC000550379923 1022382575 /nfs/dbraw/zinc/38/25/75/1022382575.db2.gz IGHORAWOOOPVAD-HXUWFJFHSA-N 1 1 334.419 3.990 20 30 EHEDMO COc1cccc(C[C@H]2CCC[N@H+]2CCOc2ccccc2C#N)c1 ZINC000517509240 1022383883 /nfs/dbraw/zinc/38/38/83/1022383883.db2.gz FCUBKJQYVFGADL-LJQANCHMSA-N 1 1 336.435 3.653 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)N(C2CC2)C2(C#N)CCC2)cc1)C1CC1 ZINC000341584146 1022406074 /nfs/dbraw/zinc/40/60/74/1022406074.db2.gz LSGYMXAFYSOSLX-UHFFFAOYSA-N 1 1 337.467 3.722 20 30 EHEDMO C=CCOCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000550105371 1022451788 /nfs/dbraw/zinc/45/17/88/1022451788.db2.gz BQCRUBGVTZIFPG-BBRMVZONSA-N 1 1 329.362 3.670 20 30 EHEDMO C=CCOCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000550105371 1022451798 /nfs/dbraw/zinc/45/17/98/1022451798.db2.gz BQCRUBGVTZIFPG-BBRMVZONSA-N 1 1 329.362 3.670 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000426013432 1022668303 /nfs/dbraw/zinc/66/83/03/1022668303.db2.gz OAQNNZCZUFMUSF-PKOBYXMFSA-N 1 1 329.488 3.647 20 30 EHEDMO CC[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000438502596 1022713830 /nfs/dbraw/zinc/71/38/30/1022713830.db2.gz COQMZTDLWMQMIV-ROUUACIJSA-N 1 1 327.472 3.671 20 30 EHEDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCC(C)C ZINC000330917589 1022720068 /nfs/dbraw/zinc/72/00/68/1022720068.db2.gz WNGKXAWTLICTSA-GOEBONIOSA-N 1 1 334.460 3.517 20 30 EHEDMO CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000438496603 1022725417 /nfs/dbraw/zinc/72/54/17/1022725417.db2.gz USBFKMZHFSKXIR-UONOGXRCSA-N 1 1 345.512 3.948 20 30 EHEDMO Cc1cc(C)c(C#N)c(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000383069797 1022734198 /nfs/dbraw/zinc/73/41/98/1022734198.db2.gz KWAIMHZOPAPXOP-LJQANCHMSA-N 1 1 334.467 3.528 20 30 EHEDMO CCC(=O)c1cccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000331225651 1022762671 /nfs/dbraw/zinc/76/26/71/1022762671.db2.gz XMQAJZACMRZHTR-PBHICJAKSA-N 1 1 331.460 3.629 20 30 EHEDMO N#Cc1ccc(C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C2CC2)cc1 ZINC000610580958 1022789078 /nfs/dbraw/zinc/78/90/78/1022789078.db2.gz MDOMCERAKMHZJC-UHFFFAOYSA-N 1 1 348.362 3.772 20 30 EHEDMO N#Cc1ccc(C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C2CC2)cc1 ZINC000610580958 1022789087 /nfs/dbraw/zinc/78/90/87/1022789087.db2.gz MDOMCERAKMHZJC-UHFFFAOYSA-N 1 1 348.362 3.772 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000665955811 1033093932 /nfs/dbraw/zinc/09/39/32/1033093932.db2.gz CGUSKAZIZGRGAG-MRXNPFEDSA-N 1 1 331.460 3.636 20 30 EHEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000933772286 1022968415 /nfs/dbraw/zinc/96/84/15/1022968415.db2.gz ZZXKZZCLNSQSMI-OAHLLOKOSA-N 1 1 340.370 3.804 20 30 EHEDMO CC[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000506352944 1022990503 /nfs/dbraw/zinc/99/05/03/1022990503.db2.gz LGKWYVLIRBDYCR-FQEVSTJZSA-N 1 1 336.435 3.748 20 30 EHEDMO CC[C@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000506352944 1022990510 /nfs/dbraw/zinc/99/05/10/1022990510.db2.gz LGKWYVLIRBDYCR-FQEVSTJZSA-N 1 1 336.435 3.748 20 30 EHEDMO C[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000429597610 1023037607 /nfs/dbraw/zinc/03/76/07/1023037607.db2.gz LPOODUZNVPWQCR-ZIAGYGMSSA-N 1 1 345.512 3.948 20 30 EHEDMO C[C@@H](CCC#N)C[N@@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000602721800 1033105678 /nfs/dbraw/zinc/10/56/78/1033105678.db2.gz WDWGQEQXYPDWFY-NSHDSACASA-N 1 1 325.225 3.886 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000602721800 1033105689 /nfs/dbraw/zinc/10/56/89/1033105689.db2.gz WDWGQEQXYPDWFY-NSHDSACASA-N 1 1 325.225 3.886 20 30 EHEDMO N#Cc1ccc(CN2CCC[N@H+](C3CCCC3)CC2)c(OC(F)F)c1 ZINC000437864208 1023104349 /nfs/dbraw/zinc/10/43/49/1023104349.db2.gz AQJYGXPJLBSEMA-UHFFFAOYSA-N 1 1 349.425 3.610 20 30 EHEDMO O[C@H](C[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)c1ccco1 ZINC000749523710 1023177394 /nfs/dbraw/zinc/17/73/94/1023177394.db2.gz ZONSCQALPKNBBB-SJLPKXTDSA-N 1 1 329.827 3.873 20 30 EHEDMO O[C@H](C[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)c1ccco1 ZINC000749523710 1023177399 /nfs/dbraw/zinc/17/73/99/1023177399.db2.gz ZONSCQALPKNBBB-SJLPKXTDSA-N 1 1 329.827 3.873 20 30 EHEDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000058959233 1033118086 /nfs/dbraw/zinc/11/80/86/1033118086.db2.gz CBUAGHBEMFDYTE-SXLOBPIMSA-N 1 1 341.499 3.653 20 30 EHEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000581988892 1023424291 /nfs/dbraw/zinc/42/42/91/1023424291.db2.gz GXVHIJXRLFOPTH-FUHWJXTLSA-N 1 1 337.467 3.555 20 30 EHEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000581988892 1023424294 /nfs/dbraw/zinc/42/42/94/1023424294.db2.gz GXVHIJXRLFOPTH-FUHWJXTLSA-N 1 1 337.467 3.555 20 30 EHEDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000610787982 1023523243 /nfs/dbraw/zinc/52/32/43/1023523243.db2.gz ANINOWMVGWCKHC-FQEVSTJZSA-N 1 1 339.483 3.584 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(-n2cncn2)c(F)c1 ZINC000535783429 1023631793 /nfs/dbraw/zinc/63/17/93/1023631793.db2.gz HVEXOWVHOJXUEF-UHFFFAOYSA-N 1 1 328.416 3.656 20 30 EHEDMO Cc1ccc(C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C(C)C)s1 ZINC000065161946 1023784042 /nfs/dbraw/zinc/78/40/42/1023784042.db2.gz JDVLOEALLSMFBG-QGZVFWFLSA-N 1 1 344.480 3.579 20 30 EHEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC2(CC#N)CC2)[C@H]2CCCC[C@H]12 ZINC000602786360 1033161597 /nfs/dbraw/zinc/16/15/97/1033161597.db2.gz DWSUKWJDBNUEHO-QTMHVTGLSA-N 1 1 345.531 3.864 20 30 EHEDMO C=CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cccc(C#N)c1 ZINC000063299793 1033165257 /nfs/dbraw/zinc/16/52/57/1033165257.db2.gz BMCWKGNJZQUQIU-UHFFFAOYSA-N 1 1 337.379 3.533 20 30 EHEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000060892838 1033174862 /nfs/dbraw/zinc/17/48/62/1033174862.db2.gz RMSZYMSQMKBDAR-INIZCTEOSA-N 1 1 331.485 3.993 20 30 EHEDMO C[NH+](C)CCOc1ccc(CN[C@H](CCC#N)c2ccccc2)cc1 ZINC000610972183 1023918795 /nfs/dbraw/zinc/91/87/95/1023918795.db2.gz YMLKKYYNDLALKS-OAQYLSRUSA-N 1 1 337.467 3.762 20 30 EHEDMO N#CCC1(C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)CC1 ZINC000602800273 1033173222 /nfs/dbraw/zinc/17/32/22/1033173222.db2.gz GXBNHSYITVRYHQ-INIZCTEOSA-N 1 1 327.476 3.726 20 30 EHEDMO N#CCC1(C[N@@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)CC1 ZINC000602800273 1033173234 /nfs/dbraw/zinc/17/32/34/1033173234.db2.gz GXBNHSYITVRYHQ-INIZCTEOSA-N 1 1 327.476 3.726 20 30 EHEDMO CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000329700977 1024103469 /nfs/dbraw/zinc/10/34/69/1024103469.db2.gz HBHVQPPCOCGXFM-GJYPPUQNSA-N 1 1 348.491 3.515 20 30 EHEDMO C#CCCOc1ccc(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183101954 1024167731 /nfs/dbraw/zinc/16/77/31/1024167731.db2.gz YJRSDJFCHDHQJI-AZUAARDMSA-N 1 1 340.511 3.831 20 30 EHEDMO C#CCCOc1ccc(CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183101954 1024167736 /nfs/dbraw/zinc/16/77/36/1024167736.db2.gz YJRSDJFCHDHQJI-AZUAARDMSA-N 1 1 340.511 3.831 20 30 EHEDMO COCC[C@@H]1CCCC[N@@H+](CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000329810569 1024206022 /nfs/dbraw/zinc/20/60/22/1024206022.db2.gz QULOKCVQHVSHPW-WMZOPIPTSA-N 1 1 346.471 3.605 20 30 EHEDMO CCO[C@@H](C)c1ncc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC000329827744 1024212432 /nfs/dbraw/zinc/21/24/32/1024212432.db2.gz RQNKUHCNLHVUKT-FUDCBSFHSA-N 1 1 337.489 3.561 20 30 EHEDMO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000434625277 1024224551 /nfs/dbraw/zinc/22/45/51/1024224551.db2.gz TXXWADURAXFYQX-HXUWFJFHSA-N 1 1 339.414 3.965 20 30 EHEDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000514189541 1024224770 /nfs/dbraw/zinc/22/47/70/1024224770.db2.gz MMHHOZRHCCGKPV-FQEVSTJZSA-N 1 1 333.435 3.512 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000329878181 1024232245 /nfs/dbraw/zinc/23/22/45/1024232245.db2.gz KIUIBUJXNKIKKJ-GASCZTMLSA-N 1 1 331.460 3.732 20 30 EHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c[nH]c3cccnc23)C1 ZINC000329888750 1024236378 /nfs/dbraw/zinc/23/63/78/1024236378.db2.gz ZJUICTCMSFFPSQ-AWEZNQCLSA-N 1 1 328.460 3.768 20 30 EHEDMO C[C@@H]1Cc2ccccc2[C@@H]1[NH+]=C([O-])N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000329890246 1024237152 /nfs/dbraw/zinc/23/71/52/1024237152.db2.gz FYPWSANTXLDUSP-OSGQAZFXSA-N 1 1 338.455 3.614 20 30 EHEDMO CC[C@@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000425119704 1024249986 /nfs/dbraw/zinc/24/99/86/1024249986.db2.gz ZVNNYPZLJOIUCP-UWJYYQICSA-N 1 1 349.478 3.988 20 30 EHEDMO O=C(C[NH+]1CCC(Oc2ccccn2)CC1)NC1CCCCCC1 ZINC000329923666 1024251593 /nfs/dbraw/zinc/25/15/93/1024251593.db2.gz HCVMZGSHEXIDKQ-UHFFFAOYSA-N 1 1 331.460 3.604 20 30 EHEDMO CCCOc1cc(F)ccc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000329949195 1024260487 /nfs/dbraw/zinc/26/04/87/1024260487.db2.gz LIPDOOVAYQORTM-GDBMZVCRSA-N 1 1 335.423 3.567 20 30 EHEDMO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000329951964 1024264018 /nfs/dbraw/zinc/26/40/18/1024264018.db2.gz MRYGSCVYEPWSGV-NJWJYKKWSA-N 1 1 335.492 3.792 20 30 EHEDMO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000329951964 1024264030 /nfs/dbraw/zinc/26/40/30/1024264030.db2.gz MRYGSCVYEPWSGV-NJWJYKKWSA-N 1 1 335.492 3.792 20 30 EHEDMO COc1cccc(-c2csc(C[N@@H+]3CCC[C@@H](CC#N)C3)n2)c1 ZINC000895312997 1024278315 /nfs/dbraw/zinc/27/83/15/1024278315.db2.gz BJRCQAAWGOQRAR-AWEZNQCLSA-N 1 1 327.453 3.944 20 30 EHEDMO COc1cccc(-c2csc(C[N@H+]3CCC[C@@H](CC#N)C3)n2)c1 ZINC000895312997 1024278328 /nfs/dbraw/zinc/27/83/28/1024278328.db2.gz BJRCQAAWGOQRAR-AWEZNQCLSA-N 1 1 327.453 3.944 20 30 EHEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000330000503 1024280503 /nfs/dbraw/zinc/28/05/03/1024280503.db2.gz WNMBLJWKWSVKPL-CYBMUJFWSA-N 1 1 337.427 3.597 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000047726359 1024286695 /nfs/dbraw/zinc/28/66/95/1024286695.db2.gz NNLUEZDOSXDMJW-UHFFFAOYSA-N 1 1 339.395 3.887 20 30 EHEDMO Cc1cnc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)o1 ZINC000330110669 1024322529 /nfs/dbraw/zinc/32/25/29/1024322529.db2.gz QSCSEQNIXBTDBJ-AWEZNQCLSA-N 1 1 334.464 3.505 20 30 EHEDMO C[C@H](C#N)Oc1ccc(CN2CCCC[C@H]2[C@H](C)C[NH+](C)C)cc1 ZINC000895378081 1024428105 /nfs/dbraw/zinc/42/81/05/1024428105.db2.gz PNHPKKJIBGIDTH-HLIPFELVSA-N 1 1 329.488 3.530 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)CN(C)C)cc1 ZINC000895378081 1024428116 /nfs/dbraw/zinc/42/81/16/1024428116.db2.gz PNHPKKJIBGIDTH-HLIPFELVSA-N 1 1 329.488 3.530 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)CN(C)C)cc1 ZINC000895378081 1024428122 /nfs/dbraw/zinc/42/81/22/1024428122.db2.gz PNHPKKJIBGIDTH-HLIPFELVSA-N 1 1 329.488 3.530 20 30 EHEDMO CCc1cccc(F)c1C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000474154924 1024442498 /nfs/dbraw/zinc/44/24/98/1024442498.db2.gz AVNVYSQKHTUBEC-UHFFFAOYSA-N 1 1 326.415 3.908 20 30 EHEDMO CCc1cccc(F)c1C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000474154924 1024442504 /nfs/dbraw/zinc/44/25/04/1024442504.db2.gz AVNVYSQKHTUBEC-UHFFFAOYSA-N 1 1 326.415 3.908 20 30 EHEDMO N#Cc1ccc(C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 ZINC000025180903 1024464314 /nfs/dbraw/zinc/46/43/14/1024464314.db2.gz VZEQOFSNEBNNNK-UHFFFAOYSA-N 1 1 345.446 3.615 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000425235535 1024473280 /nfs/dbraw/zinc/47/32/80/1024473280.db2.gz ZDAWUGMHVPWCNI-JKSUJKDBSA-N 1 1 342.443 3.557 20 30 EHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccccc1C(=O)N(C)C ZINC000417744831 1024480810 /nfs/dbraw/zinc/48/08/10/1024480810.db2.gz YWHVSJUIAFLARE-UHFFFAOYSA-N 1 1 338.451 3.585 20 30 EHEDMO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000280953356 1024482080 /nfs/dbraw/zinc/48/20/80/1024482080.db2.gz XSSVNNGNAGAEPE-YXIAPDDASA-N 1 1 340.511 3.753 20 30 EHEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000434894880 1024487564 /nfs/dbraw/zinc/48/75/64/1024487564.db2.gz IDCSKSUEDPUIBA-OXJNMPFZSA-N 1 1 333.435 3.765 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434901475 1024493547 /nfs/dbraw/zinc/49/35/47/1024493547.db2.gz WDVLYWKAOCFZBP-RZQQEMMASA-N 1 1 333.435 3.763 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1Cl ZINC000435054420 1024582719 /nfs/dbraw/zinc/58/27/19/1024582719.db2.gz CEWDASRHXCTRAN-QGZVFWFLSA-N 1 1 344.842 3.953 20 30 EHEDMO CC[C@@H](C[N@@H+](CC)Cc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000514604098 1024600348 /nfs/dbraw/zinc/60/03/48/1024600348.db2.gz VAVNDTKQALMDCQ-KRWDZBQOSA-N 1 1 333.439 3.617 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)cc1OC ZINC000895583607 1024627248 /nfs/dbraw/zinc/62/72/48/1024627248.db2.gz MABSGELYXCDXAL-HNNXBMFYSA-N 1 1 330.453 3.706 20 30 EHEDMO CC[N@H+](Cc1csc(C#N)c1)CC1CCN(c2ccccn2)CC1 ZINC000892089407 1024640107 /nfs/dbraw/zinc/64/01/07/1024640107.db2.gz RZQKBDBTLQIHBY-UHFFFAOYSA-N 1 1 340.496 3.753 20 30 EHEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000346314627 1024640353 /nfs/dbraw/zinc/64/03/53/1024640353.db2.gz SFZBOODRPCPFIX-INIZCTEOSA-N 1 1 328.481 3.783 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000346314627 1024640358 /nfs/dbraw/zinc/64/03/58/1024640358.db2.gz SFZBOODRPCPFIX-INIZCTEOSA-N 1 1 328.481 3.783 20 30 EHEDMO C=C(C)C[N@H+](CC)CC(=O)N1CCC[C@H]1c1ccc(OCC)cc1 ZINC000114712345 1024750260 /nfs/dbraw/zinc/75/02/60/1024750260.db2.gz DSGKHIODKCJYHP-IBGZPJMESA-N 1 1 330.472 3.647 20 30 EHEDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccccc1 ZINC000281221532 1024760935 /nfs/dbraw/zinc/76/09/35/1024760935.db2.gz OJICSPWRPFSMNV-PMACEKPBSA-N 1 1 347.462 3.663 20 30 EHEDMO N#Cc1ccc(CC[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)cc1 ZINC000602884626 1033234672 /nfs/dbraw/zinc/23/46/72/1033234672.db2.gz UZLVGKDCAWEZTJ-IBGZPJMESA-N 1 1 328.419 3.533 20 30 EHEDMO C=CCc1cc(C[N@H+](C)Cc2cccc(OC)c2)cc(OC)c1O ZINC000505665635 1024798513 /nfs/dbraw/zinc/79/85/13/1024798513.db2.gz VHBYDRRGNYTQSO-UHFFFAOYSA-N 1 1 327.424 3.770 20 30 EHEDMO C[C@@H]1C[C@@H](NCc2ncc(C#N)s2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033423 1024838661 /nfs/dbraw/zinc/83/86/61/1024838661.db2.gz LLVBOUNGLAITLN-SCAQPMJSSA-N 1 1 340.496 3.546 20 30 EHEDMO C=CC[NH+]1CCN(Cc2ccc(Cl)cc2OC(F)(F)F)CC1 ZINC001143432169 1024928369 /nfs/dbraw/zinc/92/83/69/1024928369.db2.gz ADAYZTWYIAAMNQ-UHFFFAOYSA-N 1 1 334.769 3.542 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCCCC#N)cc1 ZINC000594232288 1033249936 /nfs/dbraw/zinc/24/99/36/1033249936.db2.gz DUSOSXQCBJTFGX-QGZVFWFLSA-N 1 1 327.472 3.761 20 30 EHEDMO C=CC[N@H+](C)Cc1cc(Br)c(OC)c(Br)c1 ZINC000548645234 1024992657 /nfs/dbraw/zinc/99/26/57/1024992657.db2.gz NMNHCZJJKBWJDJ-UHFFFAOYSA-N 1 1 349.066 3.838 20 30 EHEDMO Cc1ccsc1C[N@H+](C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000346722232 1025035566 /nfs/dbraw/zinc/03/55/66/1025035566.db2.gz AZSIZFDYYIXKFX-NLGTXKQRSA-N 1 1 347.528 3.808 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1c(F)cccc1F ZINC000051377006 1025039311 /nfs/dbraw/zinc/03/93/11/1025039311.db2.gz XVCDYHVLAGAQGZ-GOSISDBHSA-N 1 1 330.378 3.782 20 30 EHEDMO COc1cc(C[NH2+]Cc2ccccc2Br)ccc1C#N ZINC000234928312 1025137223 /nfs/dbraw/zinc/13/72/23/1025137223.db2.gz FLCPFLBCZLGKIL-UHFFFAOYSA-N 1 1 331.213 3.619 20 30 EHEDMO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142527111 1033271235 /nfs/dbraw/zinc/27/12/35/1033271235.db2.gz KXPJJXSJZPPWSE-HNNXBMFYSA-N 1 1 344.361 3.585 20 30 EHEDMO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142527111 1033271241 /nfs/dbraw/zinc/27/12/41/1033271241.db2.gz KXPJJXSJZPPWSE-HNNXBMFYSA-N 1 1 344.361 3.585 20 30 EHEDMO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000346933769 1025325776 /nfs/dbraw/zinc/32/57/76/1025325776.db2.gz CAUMUPXJKMEJHN-CABCVRRESA-N 1 1 331.423 3.766 20 30 EHEDMO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046529800 1033275666 /nfs/dbraw/zinc/27/56/66/1033275666.db2.gz FEGOGQHWBJIDOH-SJORKVTESA-N 1 1 349.478 3.818 20 30 EHEDMO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046529800 1033275678 /nfs/dbraw/zinc/27/56/78/1033275678.db2.gz FEGOGQHWBJIDOH-SJORKVTESA-N 1 1 349.478 3.818 20 30 EHEDMO N#Cc1cc(Cl)ccc1C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000281695006 1025384372 /nfs/dbraw/zinc/38/43/72/1025384372.db2.gz NJZHNZFFBXRTCG-IBGZPJMESA-N 1 1 326.827 3.525 20 30 EHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CCOc2cccc(C#N)c2)C1 ZINC000438994015 1025391655 /nfs/dbraw/zinc/39/16/55/1025391655.db2.gz CVPZJUBCLOEWJF-DBOLQNLKSA-N 1 1 342.483 3.589 20 30 EHEDMO N#CC1(c2ccc(C[N@@H+]3CCS[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000896452678 1025444144 /nfs/dbraw/zinc/44/41/44/1025444144.db2.gz HRGBYQYZKGYXIQ-AWEZNQCLSA-N 1 1 326.387 3.721 20 30 EHEDMO N#CC1(c2ccc(C[N@H+]3CCS[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000896452678 1025444151 /nfs/dbraw/zinc/44/41/51/1025444151.db2.gz HRGBYQYZKGYXIQ-AWEZNQCLSA-N 1 1 326.387 3.721 20 30 EHEDMO C=CCCC1(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000474779712 1025455488 /nfs/dbraw/zinc/45/54/88/1025455488.db2.gz KCLQNLWPPVILGR-UHFFFAOYSA-N 1 1 326.484 3.686 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000451101889 1025562267 /nfs/dbraw/zinc/56/22/67/1025562267.db2.gz HABRRCVRTJZNSO-JKDFXYPNSA-N 1 1 339.842 3.573 20 30 EHEDMO CC(C)(C)[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1 ZINC000152305485 1025599633 /nfs/dbraw/zinc/59/96/33/1025599633.db2.gz QQTVHMJMYHHJBF-UHFFFAOYSA-N 1 1 327.472 3.630 20 30 EHEDMO COc1cccc(NC(=O)CC[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425529423 1025665926 /nfs/dbraw/zinc/66/59/26/1025665926.db2.gz BTEICRUZOCXZRK-OAHLLOKOSA-N 1 1 337.423 3.588 20 30 EHEDMO Cc1nc(-c2ccc(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)cc2Cl)n[nH]1 ZINC000329219367 1025669981 /nfs/dbraw/zinc/66/99/81/1025669981.db2.gz SLFQIJBANIBCEJ-PHIMTYICSA-N 1 1 347.850 3.894 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)NCc1ccc(Cl)s1 ZINC000425538641 1025671957 /nfs/dbraw/zinc/67/19/57/1025671957.db2.gz SJQGPTZVNSGMND-GFCCVEGCSA-N 1 1 347.871 3.582 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NCc1ccc(Cl)s1 ZINC000425538641 1025671971 /nfs/dbraw/zinc/67/19/71/1025671971.db2.gz SJQGPTZVNSGMND-GFCCVEGCSA-N 1 1 347.871 3.582 20 30 EHEDMO Clc1ccc(C#CC[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000425551152 1025730312 /nfs/dbraw/zinc/73/03/12/1025730312.db2.gz JHUAZQJDYKYCBI-LJQANCHMSA-N 1 1 329.871 3.973 20 30 EHEDMO COc1cc(C#N)ccc1C[N@@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000347260476 1025756415 /nfs/dbraw/zinc/75/64/15/1025756415.db2.gz NGDGCDQQOBCJAS-HXUWFJFHSA-N 1 1 338.451 3.586 20 30 EHEDMO CCc1cc(=O)c2cc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)ccc2[nH]1 ZINC000329388625 1025799084 /nfs/dbraw/zinc/79/90/84/1025799084.db2.gz RLDYKQKBPWJFAK-INIZCTEOSA-N 1 1 341.455 3.943 20 30 EHEDMO CC1(C#N)CCN(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000329397346 1025808005 /nfs/dbraw/zinc/80/80/05/1025808005.db2.gz WMCKLADYUKENGE-SFHVURJKSA-N 1 1 346.519 3.571 20 30 EHEDMO CC(C)c1ncc(C[N@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)s1 ZINC000896654180 1025812569 /nfs/dbraw/zinc/81/25/69/1025812569.db2.gz KTMZYLGDUGZXTG-OAHLLOKOSA-N 1 1 341.484 3.610 20 30 EHEDMO CC[C@@H]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC(=O)N1 ZINC000329401128 1025813322 /nfs/dbraw/zinc/81/33/22/1025813322.db2.gz BHASSICVVSXSIC-BVIKNXMNSA-N 1 1 329.444 3.533 20 30 EHEDMO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)c1 ZINC000505843802 1025817209 /nfs/dbraw/zinc/81/72/09/1025817209.db2.gz BSUHWESJUFVMDM-DUQGCJEPSA-N 1 1 331.419 3.675 20 30 EHEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)c1 ZINC000505843802 1025817226 /nfs/dbraw/zinc/81/72/26/1025817226.db2.gz BSUHWESJUFVMDM-DUQGCJEPSA-N 1 1 331.419 3.675 20 30 EHEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000444173751 1025873375 /nfs/dbraw/zinc/87/33/75/1025873375.db2.gz DBHBPSVFSSWHDJ-LIRRHRJNSA-N 1 1 337.398 3.719 20 30 EHEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000444173751 1025873396 /nfs/dbraw/zinc/87/33/96/1025873396.db2.gz 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CC/C=C/CCn1c2c(cc(C#N)c1=O)C[N@H+](Cc1ccccc1)CC2 ZINC000563442017 1026988696 /nfs/dbraw/zinc/98/86/96/1026988696.db2.gz VNHUAQSCRXQSFZ-ONEGZZNKSA-N 1 1 347.462 3.635 20 30 EHEDMO CC[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC000472248783 1027086868 /nfs/dbraw/zinc/08/68/68/1027086868.db2.gz XYVRXTLPBYNCII-JRGCBEDISA-N 1 1 347.462 3.600 20 30 EHEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000459258756 1027118547 /nfs/dbraw/zinc/11/85/47/1027118547.db2.gz MFJMSQNWPWXHAA-KRWDZBQOSA-N 1 1 348.535 3.612 20 30 EHEDMO C=CCCCN(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000076953568 1027367613 /nfs/dbraw/zinc/36/76/13/1027367613.db2.gz UIHLNTXSKTXQBB-IBGZPJMESA-N 1 1 329.488 3.506 20 30 EHEDMO C[C@@H](c1ccccc1F)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000501850892 1027597201 /nfs/dbraw/zinc/59/72/01/1027597201.db2.gz PXMANHDERPRPBD-KRWDZBQOSA-N 1 1 337.442 3.966 20 30 EHEDMO C[C@@H](c1ccccc1F)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000501850892 1027597217 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EHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459360264 1027911801 /nfs/dbraw/zinc/91/18/01/1027911801.db2.gz RIGLJKAYZZFKKX-AWEZNQCLSA-N 1 1 339.395 3.538 20 30 EHEDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000533463192 1027916705 /nfs/dbraw/zinc/91/67/05/1027916705.db2.gz RYKGZXBTVWXCGH-LJQANCHMSA-N 1 1 336.435 3.783 20 30 EHEDMO CCc1cc(OC)ccc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000502271722 1028045483 /nfs/dbraw/zinc/04/54/83/1028045483.db2.gz VTQQLIZCCBNUFL-OAQYLSRUSA-N 1 1 336.435 3.703 20 30 EHEDMO CCc1cc(OC)ccc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000502271722 1028045501 /nfs/dbraw/zinc/04/55/01/1028045501.db2.gz VTQQLIZCCBNUFL-OAQYLSRUSA-N 1 1 336.435 3.703 20 30 EHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000444641118 1028127700 /nfs/dbraw/zinc/12/77/00/1028127700.db2.gz DFPHXNMQPKULKG-SFHVURJKSA-N 1 1 341.499 3.848 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(NCc2ccc(F)c(C#N)c2Cl)cn1 ZINC000366788758 1028131877 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N#Cc1ccc(C2=CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000502506219 1028269414 /nfs/dbraw/zinc/26/94/14/1028269414.db2.gz GGNXIAQAYGFAAL-UHFFFAOYSA-N 1 1 349.390 3.635 20 30 EHEDMO C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000366882630 1028270900 /nfs/dbraw/zinc/27/09/00/1028270900.db2.gz LNTPHOBGSLXQHL-ZBFHGGJFSA-N 1 1 339.464 3.826 20 30 EHEDMO C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000366882630 1028270911 /nfs/dbraw/zinc/27/09/11/1028270911.db2.gz LNTPHOBGSLXQHL-ZBFHGGJFSA-N 1 1 339.464 3.826 20 30 EHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)CC1 ZINC000153657021 1028277209 /nfs/dbraw/zinc/27/72/09/1028277209.db2.gz HBCPNFIXOOHYAS-OAHLLOKOSA-N 1 1 347.459 3.685 20 30 EHEDMO C=C(CC)CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000455520341 1028324529 /nfs/dbraw/zinc/32/45/29/1028324529.db2.gz JDZIQSJQFDRSTN-UHFFFAOYSA-N 1 1 329.488 3.506 20 30 EHEDMO COc1cc(C[NH2+][C@H](c2ccccc2)c2cccnc2)ccc1C#N ZINC000366922673 1028349796 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C=C(C)CCNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000454545778 1029026527 /nfs/dbraw/zinc/02/65/27/1029026527.db2.gz IBALHAWHJOCSDW-UHFFFAOYSA-N 1 1 341.455 3.677 20 30 EHEDMO Cc1ccccc1[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000532943172 1029084257 /nfs/dbraw/zinc/08/42/57/1029084257.db2.gz KBKIUUNLDVMUPM-MRXNPFEDSA-N 1 1 339.464 3.746 20 30 EHEDMO C=CCCC[N@H+](C)CC(=O)Nc1nc2ccc(OCC)cc2s1 ZINC000532978392 1029134675 /nfs/dbraw/zinc/13/46/75/1029134675.db2.gz GKHDGAAJCNJQNQ-UHFFFAOYSA-N 1 1 333.457 3.532 20 30 EHEDMO C[NH+](C)Cc1ccc(NC(=O)c2cccc(CC#N)c2)cc1Cl ZINC000357962968 1029441867 /nfs/dbraw/zinc/44/18/67/1029441867.db2.gz HYPMJVSRASFXIC-UHFFFAOYSA-N 1 1 327.815 3.720 20 30 EHEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192053524 1029473786 /nfs/dbraw/zinc/47/37/86/1029473786.db2.gz WXVLFDBNYFQAEO-ZAMGYDSWSA-N 1 1 330.428 3.628 20 30 EHEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192053524 1029473799 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EHEDMO C[C@H](Cc1ccsc1)[N@@H+](CCN(C)C)Cc1ccc(C#N)cc1 ZINC000583527328 1030040337 /nfs/dbraw/zinc/04/03/37/1030040337.db2.gz XVFWMSABMGBEHH-MRXNPFEDSA-N 1 1 327.497 3.615 20 30 EHEDMO C[C@H](Cc1ccsc1)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000583527328 1030040355 /nfs/dbraw/zinc/04/03/55/1030040355.db2.gz XVFWMSABMGBEHH-MRXNPFEDSA-N 1 1 327.497 3.615 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(=O)OC)c(F)c1 ZINC000089103578 1030231246 /nfs/dbraw/zinc/23/12/46/1030231246.db2.gz DDPVWJIUGXVQHK-UHFFFAOYSA-N 1 1 340.398 3.896 20 30 EHEDMO C=CC[N@H+](C)C[C@@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000121442543 1030270799 /nfs/dbraw/zinc/27/07/99/1030270799.db2.gz DRISKPMSRICOFY-CTNGQTDRSA-N 1 1 325.452 3.580 20 30 EHEDMO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000453449136 1030321107 /nfs/dbraw/zinc/32/11/07/1030321107.db2.gz DYIRYTROKYTEMX-BSDSXHPESA-N 1 1 345.535 3.534 20 30 EHEDMO CC[N@@H+](Cc1ccc(OCC(F)(F)F)c(OC)c1)C[C@H](C)C#N ZINC000091983159 1030348287 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N#Cc1ccc(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000567989552 1030474166 /nfs/dbraw/zinc/47/41/66/1030474166.db2.gz KBGFVUYXQAIGRU-SFHVURJKSA-N 1 1 339.370 3.813 20 30 EHEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc3nc[nH]c3cc2F)C1 ZINC000329346608 1030474519 /nfs/dbraw/zinc/47/45/19/1030474519.db2.gz CGOGFEIADCFXPV-LBPRGKRZSA-N 1 1 332.423 3.517 20 30 EHEDMO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000329346608 1030474534 /nfs/dbraw/zinc/47/45/34/1030474534.db2.gz CGOGFEIADCFXPV-LBPRGKRZSA-N 1 1 332.423 3.517 20 30 EHEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000329346608 1030474541 /nfs/dbraw/zinc/47/45/41/1030474541.db2.gz CGOGFEIADCFXPV-LBPRGKRZSA-N 1 1 332.423 3.517 20 30 EHEDMO C[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447854286 1030542222 /nfs/dbraw/zinc/54/22/22/1030542222.db2.gz KSOYGVYDNQILAF-UZLBHIALSA-N 1 1 333.435 3.747 20 30 EHEDMO C=CCOc1ccccc1C[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000093413333 1030609611 /nfs/dbraw/zinc/60/96/11/1030609611.db2.gz LEAIZXCEWPMGLK-SFHVURJKSA-N 1 1 337.467 3.525 20 30 EHEDMO C=CCOc1ccccc1CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000093413333 1030609620 /nfs/dbraw/zinc/60/96/20/1030609620.db2.gz LEAIZXCEWPMGLK-SFHVURJKSA-N 1 1 337.467 3.525 20 30 EHEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCCC2(C)C)ccc1Cl ZINC000347363104 1030674936 /nfs/dbraw/zinc/67/49/36/1030674936.db2.gz ASBVVWQFBXDTMG-UHFFFAOYSA-N 1 1 333.863 3.770 20 30 EHEDMO C=CCCCNC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000448045110 1030691275 /nfs/dbraw/zinc/69/12/75/1030691275.db2.gz ZRXLGPOXJFUPDC-HKUYNNGSSA-N 1 1 329.488 3.553 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cc(F)ccc2C#N)C1 ZINC000160410304 1030735748 /nfs/dbraw/zinc/73/57/48/1030735748.db2.gz SDLMOJKBIWPYPE-DLBZAZTESA-N 1 1 329.463 3.784 20 30 EHEDMO N#Cc1ccc(CN2CCC[N@H+]([C@@H]3CCc4ccc(F)cc43)CC2)cc1 ZINC000482827407 1030737761 /nfs/dbraw/zinc/73/77/61/1030737761.db2.gz TVGLFVBXPMYKNV-JOCHJYFZSA-N 1 1 349.453 3.893 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCCN([C@@H]3CCc4ccc(F)cc43)CC2)cc1 ZINC000482827407 1030737773 /nfs/dbraw/zinc/73/77/73/1030737773.db2.gz TVGLFVBXPMYKNV-JOCHJYFZSA-N 1 1 349.453 3.893 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCCN([C@@H]3CCc4ccc(F)cc43)CC2)cc1 ZINC000482827407 1030737783 /nfs/dbraw/zinc/73/77/83/1030737783.db2.gz TVGLFVBXPMYKNV-JOCHJYFZSA-N 1 1 349.453 3.893 20 30 EHEDMO C#Cc1cccc(N(CC)C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)c1 ZINC000171191959 1030745759 /nfs/dbraw/zinc/74/57/59/1030745759.db2.gz LTWWENHQPLKKLZ-UHFFFAOYSA-N 1 1 347.462 3.641 20 30 EHEDMO CC#CCCNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000482893893 1030793803 /nfs/dbraw/zinc/79/38/03/1030793803.db2.gz WCKUNZBYYLDSGH-UHFFFAOYSA-N 1 1 341.499 3.664 20 30 EHEDMO CCCCO[C@H]1C[C@@H]([N@@H+](C)Cc2cnc3ccc(C#N)cn23)C1(C)C ZINC000537656538 1030895700 /nfs/dbraw/zinc/89/57/00/1030895700.db2.gz IFMXZVXTUROVCT-MSOLQXFVSA-N 1 1 340.471 3.622 20 30 EHEDMO C=C(C)[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)c(F)c1 ZINC000476940901 1031090046 /nfs/dbraw/zinc/09/00/46/1031090046.db2.gz NMIKBDAMXOSJMG-SQNIBIBYSA-N 1 1 349.425 3.508 20 30 EHEDMO N#Cc1ccc(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000536162461 1031137529 /nfs/dbraw/zinc/13/75/29/1031137529.db2.gz FVPRWVCEDFFHQF-MRXNPFEDSA-N 1 1 338.304 3.539 20 30 EHEDMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000483433794 1031166818 /nfs/dbraw/zinc/16/68/18/1031166818.db2.gz BOOBCSULCJEFJI-QFIPXVFZSA-N 1 1 348.446 3.699 20 30 EHEDMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000483433794 1031166828 /nfs/dbraw/zinc/16/68/28/1031166828.db2.gz BOOBCSULCJEFJI-QFIPXVFZSA-N 1 1 348.446 3.699 20 30 EHEDMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000483435200 1031170020 /nfs/dbraw/zinc/17/00/20/1031170020.db2.gz QFZXCNSPURPUGA-QFIPXVFZSA-N 1 1 348.446 3.699 20 30 EHEDMO N#Cc1ccc(CNC[C@H]2CC[N@@H+]2C2CCCC2)c(C(F)(F)F)c1 ZINC000527809790 1031245384 /nfs/dbraw/zinc/24/53/84/1031245384.db2.gz NOUHFYYLZKBDHG-MRXNPFEDSA-N 1 1 337.389 3.684 20 30 EHEDMO N#Cc1ccc(CNC[C@H]2CC[N@H+]2C2CCCC2)c(C(F)(F)F)c1 ZINC000527809790 1031245391 /nfs/dbraw/zinc/24/53/91/1031245391.db2.gz NOUHFYYLZKBDHG-MRXNPFEDSA-N 1 1 337.389 3.684 20 30 EHEDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000174904697 1031258114 /nfs/dbraw/zinc/25/81/14/1031258114.db2.gz AARSABRYRHOOPR-GOSISDBHSA-N 1 1 342.487 3.826 20 30 EHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1[C@H](CC)c1ccccc1 ZINC000477281888 1031410680 /nfs/dbraw/zinc/41/06/80/1031410680.db2.gz XOGHEWOPMNEZOI-WOJBJXKFSA-N 1 1 326.484 3.845 20 30 EHEDMO N#Cc1cccc(-c2nnc(C[NH2+][C@H](c3ccccc3)C3CC3)o2)c1 ZINC000343567064 1031426675 /nfs/dbraw/zinc/42/66/75/1031426675.db2.gz VLAUSKXRUKDRAV-LJQANCHMSA-N 1 1 330.391 3.849 20 30 EHEDMO CCC[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc(F)cc1 ZINC000343583084 1031482592 /nfs/dbraw/zinc/48/25/92/1031482592.db2.gz RRGFILWTIQPHBX-UHFFFAOYSA-N 1 1 345.443 4.000 20 30 EHEDMO CC[N@@H+](CCc1ccccc1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000343623911 1031662518 /nfs/dbraw/zinc/66/25/18/1031662518.db2.gz NUIHWLVZFFOYFN-IBGZPJMESA-N 1 1 349.478 3.886 20 30 EHEDMO CC[N@H+](Cc1cccc(F)c1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000343622451 1031671520 /nfs/dbraw/zinc/67/15/20/1031671520.db2.gz LMDBPDXAKAKIGU-AWEZNQCLSA-N 1 1 325.387 3.546 20 30 EHEDMO CC[N@@H+](Cc1cccc(F)c1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000343622451 1031671525 /nfs/dbraw/zinc/67/15/25/1031671525.db2.gz LMDBPDXAKAKIGU-AWEZNQCLSA-N 1 1 325.387 3.546 20 30 EHEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000475742853 1031755848 /nfs/dbraw/zinc/75/58/48/1031755848.db2.gz CLLHMLQZEQZXPJ-SFHVURJKSA-N 1 1 328.843 3.901 20 30 EHEDMO N#CCCCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000594319200 1033306662 /nfs/dbraw/zinc/30/66/62/1033306662.db2.gz DJJQSWNMNPIWJN-VQTJNVASSA-N 1 1 339.483 3.583 20 30 EHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000598594318 1033316542 /nfs/dbraw/zinc/31/65/42/1033316542.db2.gz HGGJTQHARLAGNN-LSDHHAIUSA-N 1 1 347.528 3.502 20 30 EHEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000598591642 1033317912 /nfs/dbraw/zinc/31/79/12/1033317912.db2.gz XKZMXVATYJQTSX-LJQANCHMSA-N 1 1 332.463 3.914 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(Cl)c2)c(C#N)c1C ZINC000026343206 1033355633 /nfs/dbraw/zinc/35/56/33/1033355633.db2.gz LMPNOKLZAWTORS-LBPRGKRZSA-N 1 1 345.830 3.881 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(Cl)c2)c(C#N)c1C ZINC000026343206 1033355643 /nfs/dbraw/zinc/35/56/43/1033355643.db2.gz LMPNOKLZAWTORS-LBPRGKRZSA-N 1 1 345.830 3.881 20 30 EHEDMO C=CCCn1cc(CS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000594451988 1033382323 /nfs/dbraw/zinc/38/23/23/1033382323.db2.gz BZCSNVPXTYDAQN-IBGZPJMESA-N 1 1 342.512 3.752 20 30 EHEDMO Cc1[nH+]cn(CCCCc2noc(/C=C/c3ccc(C#N)cc3)n2)c1C ZINC000594534342 1033436781 /nfs/dbraw/zinc/43/67/81/1033436781.db2.gz LWHCEVLTYMVMFN-ZHACJKMWSA-N 1 1 347.422 3.948 20 30 EHEDMO N#CC1(Cn2cc(C[NH2+][C@@H]3CCc4ccccc43)nn2)CCCCC1 ZINC000594657553 1033491778 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COc1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1OCCCC#N ZINC000594995906 1033623557 /nfs/dbraw/zinc/62/35/57/1033623557.db2.gz VBMACCVIYWKHNI-UHFFFAOYSA-N 1 1 341.455 3.941 20 30 EHEDMO N#Cc1cccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000595001840 1033627370 /nfs/dbraw/zinc/62/73/70/1033627370.db2.gz ZZLOXTPCUKOBSU-JOCHJYFZSA-N 1 1 345.490 3.950 20 30 EHEDMO N#Cc1cccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000595001840 1033627391 /nfs/dbraw/zinc/62/73/91/1033627391.db2.gz ZZLOXTPCUKOBSU-JOCHJYFZSA-N 1 1 345.490 3.950 20 30 EHEDMO CC(C)O[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000593658834 1033634890 /nfs/dbraw/zinc/63/48/90/1033634890.db2.gz ICXBBTUNIVMDFW-OAHLLOKOSA-N 1 1 326.362 3.966 20 30 EHEDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000593658834 1033634895 /nfs/dbraw/zinc/63/48/95/1033634895.db2.gz ICXBBTUNIVMDFW-OAHLLOKOSA-N 1 1 326.362 3.966 20 30 EHEDMO C[C@H](NCC1(C#N)CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000595091609 1033697825 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335.411 3.622 20 30 EHEDMO C[C@H]1CCCC[N@H+]1CCCNCc1ccc(C#N)cc1C(F)(F)F ZINC000589310110 1036354278 /nfs/dbraw/zinc/35/42/78/1036354278.db2.gz JWJBCHYMNIPAAR-AWEZNQCLSA-N 1 1 339.405 3.931 20 30 EHEDMO C[C@@H](CNCc1ccc(C#N)cc1C(F)(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000589308729 1036354826 /nfs/dbraw/zinc/35/48/26/1036354826.db2.gz IXDFGHHRPCMDLB-KGLIPLIRSA-N 1 1 339.405 3.787 20 30 EHEDMO C[C@@H](CNCc1ccc(C#N)cc1C(F)(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000589308729 1036354839 /nfs/dbraw/zinc/35/48/39/1036354839.db2.gz IXDFGHHRPCMDLB-KGLIPLIRSA-N 1 1 339.405 3.787 20 30 EHEDMO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000589505660 1036430340 /nfs/dbraw/zinc/43/03/40/1036430340.db2.gz LAUMCOVPZZKPFI-KRWDZBQOSA-N 1 1 348.372 3.956 20 30 EHEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000589505660 1036430349 /nfs/dbraw/zinc/43/03/49/1036430349.db2.gz LAUMCOVPZZKPFI-KRWDZBQOSA-N 1 1 348.372 3.956 20 30 EHEDMO C[N@@H+](Cc1nc(C#N)cs1)C[C@H]1CCCO[C@H]1c1ccccc1 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30 EHEDMO N#Cc1cc(Cl)cc(Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001174446949 1132362458 /nfs/dbraw/zinc/36/24/58/1132362458.db2.gz TWQOIRLYWSXJNN-UHFFFAOYSA-N 1 1 327.815 3.787 20 30 EHEDMO C[C@@H](c1ccco1)[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000746124252 1132379671 /nfs/dbraw/zinc/37/96/71/1132379671.db2.gz DYXRZDVPVTWBIN-DZGCQCFKSA-N 1 1 346.390 3.510 20 30 EHEDMO C[C@@H](c1ccco1)[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000746124252 1132379678 /nfs/dbraw/zinc/37/96/78/1132379678.db2.gz DYXRZDVPVTWBIN-DZGCQCFKSA-N 1 1 346.390 3.510 20 30 EHEDMO CN1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(-c2ccccc2C#N)cc1 ZINC001175882227 1132780357 /nfs/dbraw/zinc/78/03/57/1132780357.db2.gz FHNRWGAIKUQCTO-FCHUYYIVSA-N 1 1 331.463 3.894 20 30 EHEDMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1ccc(-c2ccccc2C#N)cc1 ZINC001175882227 1132780359 /nfs/dbraw/zinc/78/03/59/1132780359.db2.gz FHNRWGAIKUQCTO-FCHUYYIVSA-N 1 1 331.463 3.894 20 30 EHEDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1ccc(-c2ccccc2C#N)cc1 ZINC001175882227 1132780365 /nfs/dbraw/zinc/78/03/65/1132780365.db2.gz FHNRWGAIKUQCTO-FCHUYYIVSA-N 1 1 331.463 3.894 20 30 EHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2Cc2cc(Cl)cc(C#N)c2)C1 ZINC001169862462 1132884199 /nfs/dbraw/zinc/88/41/99/1132884199.db2.gz GEPGIFIWXRYDDX-MAAHGYRXSA-N 1 1 332.875 3.973 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000766915418 1132913785 /nfs/dbraw/zinc/91/37/85/1132913785.db2.gz MOWMTNUQJVJWPD-TZIWHRDSSA-N 1 1 336.435 3.655 20 30 EHEDMO C#CCCC[N@H+](CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000766917317 1132914267 /nfs/dbraw/zinc/91/42/67/1132914267.db2.gz IYPXQMFUYWXSJW-UHFFFAOYSA-N 1 1 328.504 3.613 20 30 EHEDMO C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC001176364827 1132922247 /nfs/dbraw/zinc/92/22/47/1132922247.db2.gz HBYWDVRFKBLOQZ-UZLBHIALSA-N 1 1 333.435 3.765 20 30 EHEDMO CCC[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC001176778639 1132997163 /nfs/dbraw/zinc/99/71/63/1132997163.db2.gz YXTUSZDOCCHSHO-SFHVURJKSA-N 1 1 327.472 3.815 20 30 EHEDMO N#CCc1cccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000067360812 1133035650 /nfs/dbraw/zinc/03/56/50/1133035650.db2.gz NQUYJVQRBRQMEI-NRFANRHFSA-N 1 1 347.462 3.537 20 30 EHEDMO C#CCOc1ccc(C[NH2+]C[C@@H](C(C)C)N2CCC(C)CC2)cc1 ZINC001177257608 1133046609 /nfs/dbraw/zinc/04/66/09/1133046609.db2.gz WIYQVXUQKTYMQF-NRFANRHFSA-N 1 1 328.500 3.545 20 30 EHEDMO N#Cc1ccccc1OC1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC001204197736 1133067018 /nfs/dbraw/zinc/06/70/18/1133067018.db2.gz CDMYPQYSCTWGDZ-UHFFFAOYSA-N 1 1 328.362 3.880 20 30 EHEDMO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000768128969 1133099768 /nfs/dbraw/zinc/09/97/68/1133099768.db2.gz AMTCVMLZDSEXNY-JOCHJYFZSA-N 1 1 342.446 3.617 20 30 EHEDMO Clc1ccc(N=NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nn1 ZINC000768357099 1133129634 /nfs/dbraw/zinc/12/96/34/1133129634.db2.gz HSDKSKICENNASJ-IYBDPMFKSA-N 1 1 341.846 3.725 20 30 EHEDMO C=CCc1cc(C[N@@H+](C)CCc2ccccc2F)cc(OC)c1O ZINC000769030498 1133216506 /nfs/dbraw/zinc/21/65/06/1133216506.db2.gz RMPBQGSGNFTCMB-UHFFFAOYSA-N 1 1 329.415 3.943 20 30 EHEDMO C#CCOc1cccc(Cl)c1CN[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001179194137 1133237535 /nfs/dbraw/zinc/23/75/35/1133237535.db2.gz PXJQWBDBOSGKKA-MRXNPFEDSA-N 1 1 346.902 3.849 20 30 EHEDMO C[C@@H](CC#N)[NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC001179479759 1133254214 /nfs/dbraw/zinc/25/42/14/1133254214.db2.gz UFPVABPEEKKQJE-LBPRGKRZSA-N 1 1 326.350 3.671 20 30 EHEDMO COc1cc(C=NOCC[C@@H]2CCCC[N@H+]2C)ccc1OC(F)F ZINC000769378524 1133273019 /nfs/dbraw/zinc/27/30/19/1133273019.db2.gz VDVAWHQHDFTCSS-AWEZNQCLSA-N 1 1 342.386 3.522 20 30 EHEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC001179920246 1133306572 /nfs/dbraw/zinc/30/65/72/1133306572.db2.gz RJMZMDSDWRVDMA-RBUKOAKNSA-N 1 1 329.488 3.650 20 30 EHEDMO C=C(C)COC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769662750 1133327909 /nfs/dbraw/zinc/32/79/09/1133327909.db2.gz HJAHYWGERKUMAQ-UHFFFAOYSA-N 1 1 326.440 3.527 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1c(C#N)oc2ccccc21)Cc1ccccc1 ZINC001181138632 1133457530 /nfs/dbraw/zinc/45/75/30/1133457530.db2.gz KIXWPMDRBNKCAQ-UHFFFAOYSA-N 1 1 333.391 3.765 20 30 EHEDMO C#CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)C1CCCCC1 ZINC000770647930 1133459297 /nfs/dbraw/zinc/45/92/97/1133459297.db2.gz NARGJDFQKBFOJG-UHFFFAOYSA-N 1 1 342.874 3.903 20 30 EHEDMO C#CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)C1CCCCC1 ZINC000770647930 1133459300 /nfs/dbraw/zinc/45/93/00/1133459300.db2.gz NARGJDFQKBFOJG-UHFFFAOYSA-N 1 1 342.874 3.903 20 30 EHEDMO C[C@@H]1CN(c2snc(Cl)c2C#N)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000771257739 1133532224 /nfs/dbraw/zinc/53/22/24/1133532224.db2.gz FLRJAIQXPQGLIS-OLZOCXBDSA-N 1 1 346.887 3.767 20 30 EHEDMO C[C@@H]1CN(c2snc(Cl)c2C#N)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000771257739 1133532226 /nfs/dbraw/zinc/53/22/26/1133532226.db2.gz FLRJAIQXPQGLIS-OLZOCXBDSA-N 1 1 346.887 3.767 20 30 EHEDMO Cc1cc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)c2c(n1)CCCC2 ZINC001182136744 1133576906 /nfs/dbraw/zinc/57/69/06/1133576906.db2.gz BSPKBJCBSMISCW-UHFFFAOYSA-N 1 1 349.478 3.789 20 30 EHEDMO CCCC[N@@H+](CC)[C@H](C(=O)NCC1(C#N)CCC1)c1ccccc1 ZINC001182236369 1133596755 /nfs/dbraw/zinc/59/67/55/1133596755.db2.gz QUTOERNDFNRMAE-SFHVURJKSA-N 1 1 327.472 3.660 20 30 EHEDMO Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N[C@](C)(C#N)CC(C)C)C1 ZINC001182344558 1133638433 /nfs/dbraw/zinc/63/84/33/1133638433.db2.gz IXNJNQJLGMCQJA-CTNGQTDRSA-N 1 1 341.499 3.652 20 30 EHEDMO CCOc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)c(C)c1 ZINC001182864703 1133741185 /nfs/dbraw/zinc/74/11/85/1133741185.db2.gz KUDFEENGDXQTJE-UHFFFAOYSA-N 1 1 341.480 3.649 20 30 EHEDMO N#CCc1cccc2c1CC[N@H+](Cc1ccc3c(c1)OCCCCO3)C2 ZINC001183179221 1133775828 /nfs/dbraw/zinc/77/58/28/1133775828.db2.gz BMJUATPADHHSFS-UHFFFAOYSA-N 1 1 348.446 3.862 20 30 EHEDMO N#CCc1cccc2c1CC[N@@H+](Cc1ccc3c(c1)OCCCCO3)C2 ZINC001183179221 1133775832 /nfs/dbraw/zinc/77/58/32/1133775832.db2.gz BMJUATPADHHSFS-UHFFFAOYSA-N 1 1 348.446 3.862 20 30 EHEDMO N#Cc1cccc(-c2nnc(CO[NH+]=C(N)C3CCCCCC3)o2)c1 ZINC000746566155 1133776002 /nfs/dbraw/zinc/77/60/02/1133776002.db2.gz RAYUPZFFHMPQPM-UHFFFAOYSA-N 1 1 339.399 3.577 20 30 EHEDMO N#Cc1cccc(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1F ZINC000774617657 1133794224 /nfs/dbraw/zinc/79/42/24/1133794224.db2.gz DWQIYHTXXMZCQG-FQEVSTJZSA-N 1 1 342.389 3.782 20 30 EHEDMO CC[C@@H]1CCCC[N@H+]1CCNc1cc(C(F)(F)F)cc(C#N)n1 ZINC001185323784 1134072332 /nfs/dbraw/zinc/07/23/32/1134072332.db2.gz XVKFYBQDUWEZNA-CQSZACIVSA-N 1 1 326.366 3.648 20 30 EHEDMO C#CCC1(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CCCCC1 ZINC000788212135 1134095246 /nfs/dbraw/zinc/09/52/46/1134095246.db2.gz FHOZWLMNEFSQBJ-SFHVURJKSA-N 1 1 326.484 3.597 20 30 EHEDMO CC(C)c1[nH+]c(/C=C2\CCc3cc(C#N)cnc3C2=O)c2ccccn21 ZINC000788356329 1134115545 /nfs/dbraw/zinc/11/55/45/1134115545.db2.gz MGGHYWYNVQCCGE-MHWRWJLKSA-N 1 1 342.402 3.937 20 30 EHEDMO C[N@@H+](Cc1ccccc1)C1CCC(=NNCCc2ccccn2)CC1 ZINC000789105770 1134226435 /nfs/dbraw/zinc/22/64/35/1134226435.db2.gz UEWCNWKKRHVPLZ-UHFFFAOYSA-N 1 1 336.483 3.644 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CCOC)[C@@H](CC)c2ccc(Cl)cc2)n1 ZINC000789320917 1134255821 /nfs/dbraw/zinc/25/58/21/1134255821.db2.gz LTTHYQJAQPCOCW-IBGZPJMESA-N 1 1 345.874 3.769 20 30 EHEDMO C#CCn1ccc(C[N@H+](CCOC)[C@@H](CC)c2ccc(Cl)cc2)n1 ZINC000789320917 1134255825 /nfs/dbraw/zinc/25/58/25/1134255825.db2.gz LTTHYQJAQPCOCW-IBGZPJMESA-N 1 1 345.874 3.769 20 30 EHEDMO C#C[C@H](C)NC(=O)C[C@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)[C@H]1C ZINC001186949384 1134276272 /nfs/dbraw/zinc/27/62/72/1134276272.db2.gz SMDMXXLNXPNULQ-WFXMLNOXSA-N 1 1 346.474 3.624 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1O ZINC000789501408 1134286406 /nfs/dbraw/zinc/28/64/06/1134286406.db2.gz FGBBACBIGLQHQZ-OALUTQOASA-N 1 1 331.456 3.663 20 30 EHEDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000789512920 1134288777 /nfs/dbraw/zinc/28/87/77/1134288777.db2.gz CRKKKMLQOCNTAY-GOSISDBHSA-N 1 1 336.863 3.615 20 30 EHEDMO COCCN(C)c1ccc(C=[NH+]Nc2cccc(Cl)c2C)cn1 ZINC000790157546 1134376656 /nfs/dbraw/zinc/37/66/56/1134376656.db2.gz FRBGEGXWSFWALY-UHFFFAOYSA-N 1 1 332.835 3.572 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(Cl)c1Cl ZINC001189243449 1134556412 /nfs/dbraw/zinc/55/64/12/1134556412.db2.gz DVTYRGYFKJZAQT-NSHDSACASA-N 1 1 328.243 3.765 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N2C[C@@H]3C[N@@H+](CC)C[C@@H]3C2)c1 ZINC001189268553 1134565217 /nfs/dbraw/zinc/56/52/17/1134565217.db2.gz KJXWYEBVTNXJCS-HDICACEKSA-N 1 1 341.499 3.548 20 30 EHEDMO C#C[C@H]([NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)[C@@H]1CCCO1 ZINC000775341658 1134653528 /nfs/dbraw/zinc/65/35/28/1134653528.db2.gz MSQCRIABEAASSD-HOCLYGCPSA-N 1 1 338.432 3.827 20 30 EHEDMO CC[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000792265271 1134675527 /nfs/dbraw/zinc/67/55/27/1134675527.db2.gz MPIGTEDRIMJYKY-RBUKOAKNSA-N 1 1 342.483 3.663 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc([Si](C)(C)C)cc1 ZINC001170194308 1134710132 /nfs/dbraw/zinc/71/01/32/1134710132.db2.gz LOTUKCAGVYECPA-UHFFFAOYSA-N 1 1 343.543 3.895 20 30 EHEDMO CC[N@H+](C)C1CCN(C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170399194 1134765484 /nfs/dbraw/zinc/76/54/84/1134765484.db2.gz ZGGASXQWYJDDGQ-UHFFFAOYSA-N 1 1 325.500 3.807 20 30 EHEDMO CC[N@@H+](C)C1CCN(C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170399194 1134765488 /nfs/dbraw/zinc/76/54/88/1134765488.db2.gz ZGGASXQWYJDDGQ-UHFFFAOYSA-N 1 1 325.500 3.807 20 30 EHEDMO CCCCCCCNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001191096912 1134791485 /nfs/dbraw/zinc/79/14/85/1134791485.db2.gz CQVDMCPBJCBRGM-UHFFFAOYSA-N 1 1 331.504 3.874 20 30 EHEDMO C[C@H](C#N)OCC[N@@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000792924975 1134827551 /nfs/dbraw/zinc/82/75/51/1134827551.db2.gz JLELULPLOHPDCW-OAHLLOKOSA-N 1 1 326.465 3.646 20 30 EHEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001191475483 1134869958 /nfs/dbraw/zinc/86/99/58/1134869958.db2.gz PLTHXCJOOKKEBP-NVXWUHKLSA-N 1 1 335.407 3.920 20 30 EHEDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001191475482 1134870323 /nfs/dbraw/zinc/87/03/23/1134870323.db2.gz PLTHXCJOOKKEBP-DOTOQJQBSA-N 1 1 335.407 3.920 20 30 EHEDMO C[N@@H+](Cc1cccc(C#N)c1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001203763844 1135054943 /nfs/dbraw/zinc/05/49/43/1135054943.db2.gz OOYYKTDIUMETMN-UHFFFAOYSA-N 1 1 343.471 3.780 20 30 EHEDMO C=CC[C@@H]1[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCCC1(C)C ZINC001193919607 1135204276 /nfs/dbraw/zinc/20/42/76/1135204276.db2.gz CQRXLGOJHUPCCJ-KRWDZBQOSA-N 1 1 345.443 3.624 20 30 EHEDMO C=CC[N@@H+](CCOC)Cc1c(C)cc(C)nc1OCc1ccccc1 ZINC001193988898 1135211230 /nfs/dbraw/zinc/21/12/30/1135211230.db2.gz IGDTWWLCLCDBHH-UHFFFAOYSA-N 1 1 340.467 3.912 20 30 EHEDMO C=CC[N@H+](CCOC)Cc1c(C)cc(C)nc1OCc1ccccc1 ZINC001193988898 1135211235 /nfs/dbraw/zinc/21/12/35/1135211235.db2.gz IGDTWWLCLCDBHH-UHFFFAOYSA-N 1 1 340.467 3.912 20 30 EHEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001193942245 1135212047 /nfs/dbraw/zinc/21/20/47/1135212047.db2.gz LMWISKZICCTFDL-MRXNPFEDSA-N 1 1 345.874 3.936 20 30 EHEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001193942245 1135212050 /nfs/dbraw/zinc/21/20/50/1135212050.db2.gz LMWISKZICCTFDL-MRXNPFEDSA-N 1 1 345.874 3.936 20 30 EHEDMO C#CC[N@H+](C)C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001194058830 1135223342 /nfs/dbraw/zinc/22/33/42/1135223342.db2.gz WZKAHUIRMBXAGZ-SFHVURJKSA-N 1 1 344.252 3.715 20 30 EHEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2c(C)cc(=O)[nH]c2C)C1 ZINC001194165238 1135235518 /nfs/dbraw/zinc/23/55/18/1135235518.db2.gz YCLQHCJJLKKQDM-KRWDZBQOSA-N 1 1 347.503 3.521 20 30 EHEDMO C#C[C@](C)(CC)[NH2+]Cc1ncc(-c2cccc(Br)c2)o1 ZINC001194505703 1135280139 /nfs/dbraw/zinc/28/01/39/1135280139.db2.gz UAHSYJQLDHQMSE-MRXNPFEDSA-N 1 1 333.229 3.996 20 30 EHEDMO Cc1cccc2c1CC(C)(C)[N@H+](CC(=O)Nc1ccc(C#N)cc1)C2 ZINC001194553308 1135284582 /nfs/dbraw/zinc/28/45/82/1135284582.db2.gz WVDPUVZBWHZUMA-UHFFFAOYSA-N 1 1 333.435 3.642 20 30 EHEDMO Cc1cccc2c1CC(C)(C)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C2 ZINC001194553308 1135284584 /nfs/dbraw/zinc/28/45/84/1135284584.db2.gz WVDPUVZBWHZUMA-UHFFFAOYSA-N 1 1 333.435 3.642 20 30 EHEDMO C[N@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000775609418 1135326331 /nfs/dbraw/zinc/32/63/31/1135326331.db2.gz WZBWLBCMVJGIRO-INIZCTEOSA-N 1 1 349.862 3.653 20 30 EHEDMO C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000775609418 1135326338 /nfs/dbraw/zinc/32/63/38/1135326338.db2.gz WZBWLBCMVJGIRO-INIZCTEOSA-N 1 1 349.862 3.653 20 30 EHEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC001196443023 1135557716 /nfs/dbraw/zinc/55/77/16/1135557716.db2.gz SWXMQDTZUWBADJ-DYESRHJHSA-N 1 1 326.484 3.932 20 30 EHEDMO FC(F)(F)c1ccc(C#CC[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC001196480375 1135566561 /nfs/dbraw/zinc/56/65/61/1135566561.db2.gz URVGHTDYIXANSK-KDURUIRLSA-N 1 1 349.396 3.950 20 30 EHEDMO C[N@@H+](Cc1ccccc1NC(=O)c1ncccc1C#N)C1CCCCC1 ZINC001196558707 1135580538 /nfs/dbraw/zinc/58/05/38/1135580538.db2.gz JSEPFDIRYFLLIR-UHFFFAOYSA-N 1 1 348.450 3.970 20 30 EHEDMO CCCC1N=NC(=S)N1N=CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000808009893 1135603937 /nfs/dbraw/zinc/60/39/37/1135603937.db2.gz ZDFUGARCKNMEHA-UHFFFAOYSA-N 1 1 345.516 3.511 20 30 EHEDMO N#Cc1ccc(C[N@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)c(Cl)c1 ZINC001197683711 1135725510 /nfs/dbraw/zinc/72/55/10/1135725510.db2.gz ZQXSLBNTZYXELO-AZUAARDMSA-N 1 1 338.838 3.612 20 30 EHEDMO Cc1ccc(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)cc1C#N ZINC001197728643 1135731747 /nfs/dbraw/zinc/73/17/47/1135731747.db2.gz NQJDOKNTSYDRFV-KRWDZBQOSA-N 1 1 343.471 3.602 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1C ZINC000747530968 1135745895 /nfs/dbraw/zinc/74/58/95/1135745895.db2.gz SETPJQZHWXWKFE-AZUAARDMSA-N 1 1 339.483 3.815 20 30 EHEDMO C#CC[N@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)C(C)(C)C ZINC001197929464 1135752042 /nfs/dbraw/zinc/75/20/42/1135752042.db2.gz IBNRIPXGCIXREU-HXUWFJFHSA-N 1 1 332.296 3.835 20 30 EHEDMO CC(C)[N@@H+](CCN(C)C(=O)OC(C)(C)C)Cc1ccc(CC#N)cc1 ZINC001197979162 1135763410 /nfs/dbraw/zinc/76/34/10/1135763410.db2.gz SJOHOSJBYFHTRU-UHFFFAOYSA-N 1 1 345.487 3.830 20 30 EHEDMO N#CC[C@@H](O)C[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000809577056 1135852963 /nfs/dbraw/zinc/85/29/63/1135852963.db2.gz KJPWSHNNDPPGPN-OAHLLOKOSA-N 1 1 325.239 3.747 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2Cn2c(C)nc3ccccc32)cc1 ZINC000809591717 1135859213 /nfs/dbraw/zinc/85/92/13/1135859213.db2.gz ZADASZFRKFVINN-FQEVSTJZSA-N 1 1 329.447 3.991 20 30 EHEDMO C#CCOc1ccccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000809699693 1135869847 /nfs/dbraw/zinc/86/98/47/1135869847.db2.gz RZRPXVAGKJWFFN-VSKRKVRLSA-N 1 1 347.458 3.703 20 30 EHEDMO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1[C@H](CC)CCCCCC ZINC001170592912 1135908606 /nfs/dbraw/zinc/90/86/06/1135908606.db2.gz OBETZWVFBHRWQD-AEFFLSMTSA-N 1 1 334.508 3.666 20 30 EHEDMO N#CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)cc1 ZINC000810047798 1135915731 /nfs/dbraw/zinc/91/57/31/1135915731.db2.gz LGPHMTWOEKOEMQ-NRFANRHFSA-N 1 1 334.419 3.559 20 30 EHEDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H](CC#N)c2ccccc2)CC1 ZINC001132075195 1135921963 /nfs/dbraw/zinc/92/19/63/1135921963.db2.gz KAPULDYCITVTQC-GHTZIAJQSA-N 1 1 347.462 3.589 20 30 EHEDMO C#CCOc1ccccc1C[NH2+][C@H](COC)c1cccc(Cl)c1 ZINC000810225299 1135940464 /nfs/dbraw/zinc/94/04/64/1135940464.db2.gz AOEXNPSIBNRKLF-GOSISDBHSA-N 1 1 329.827 3.829 20 30 EHEDMO Cc1nc(Cl)cc(N=NC2C[N@H+](Cc3ccccc3)CC[C@@H]2C)n1 ZINC000776185871 1136017518 /nfs/dbraw/zinc/01/75/18/1136017518.db2.gz FZTCISIPPKTXJF-ZDUSSCGKSA-N 1 1 343.862 3.748 20 30 EHEDMO CCCCCCC[N@H+]1C[C@@H]2CN(Cc3cccc(F)c3)C(=O)[C@@H]2C1 ZINC001201762680 1136061385 /nfs/dbraw/zinc/06/13/85/1136061385.db2.gz QUXVNERTBCTJLO-IEBWSBKVSA-N 1 1 332.463 3.686 20 30 EHEDMO N#CCc1ccc(COC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000776213413 1136062963 /nfs/dbraw/zinc/06/29/63/1136062963.db2.gz BMBYSJHVKADIOU-OAQYLSRUSA-N 1 1 348.446 3.708 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@]2(CC(=O)N(Cc3csc(C)n3)C2)C1 ZINC001201776300 1136065465 /nfs/dbraw/zinc/06/54/65/1136065465.db2.gz ARLKLECKWUSJKM-IBGZPJMESA-N 1 1 349.544 3.846 20 30 EHEDMO CCCCCCC[N@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001201776940 1136065547 /nfs/dbraw/zinc/06/55/47/1136065547.db2.gz PPJVGVGWLUYYQB-GUDVDZBRSA-N 1 1 332.488 3.910 20 30 EHEDMO CCCCCCCCCC[N@H+]1CC[C@@H]2CN(C(C)=O)CCO[C@@H]2C1 ZINC001201852676 1136066746 /nfs/dbraw/zinc/06/67/46/1136066746.db2.gz GYEJZXDGKJVREU-WOJBJXKFSA-N 1 1 338.536 3.696 20 30 EHEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OCc2ccccc2C(C)(C)C#N)C1 ZINC000811443934 1136087835 /nfs/dbraw/zinc/08/78/35/1136087835.db2.gz BYZJYYIJSXFNOV-HXUWFJFHSA-N 1 1 346.446 3.743 20 30 EHEDMO N#Cc1csc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)n1 ZINC000811467749 1136094533 /nfs/dbraw/zinc/09/45/33/1136094533.db2.gz SKPCEOBNBZIAKW-HUUCEWRRSA-N 1 1 347.509 3.945 20 30 EHEDMO N#Cc1csc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)n1 ZINC000811467749 1136094535 /nfs/dbraw/zinc/09/45/35/1136094535.db2.gz SKPCEOBNBZIAKW-HUUCEWRRSA-N 1 1 347.509 3.945 20 30 EHEDMO C=CC[N@@H+](CC1CCCCC1)CN1C(=O)C2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811745562 1136128617 /nfs/dbraw/zinc/12/86/17/1136128617.db2.gz PAKVICPHSLIZDN-RTBURBONSA-N 1 1 346.515 3.572 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O ZINC000811776109 1136134216 /nfs/dbraw/zinc/13/42/16/1136134216.db2.gz ABQPKNMSNIPOQN-AZUAARDMSA-N 1 1 345.483 3.909 20 30 EHEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000812825842 1136250640 /nfs/dbraw/zinc/25/06/40/1136250640.db2.gz NTNNKMTYVNSAKU-GOSISDBHSA-N 1 1 349.475 3.650 20 30 EHEDMO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C(C1CC1)C1CC1 ZINC000747824797 1136267212 /nfs/dbraw/zinc/26/72/12/1136267212.db2.gz SJAOFOFYPUJRAO-AWEZNQCLSA-N 1 1 339.464 3.593 20 30 EHEDMO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C(C1CC1)C1CC1 ZINC000747824797 1136267213 /nfs/dbraw/zinc/26/72/13/1136267213.db2.gz SJAOFOFYPUJRAO-AWEZNQCLSA-N 1 1 339.464 3.593 20 30 EHEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)n3ncnc32)cc1 ZINC000850499019 1136272017 /nfs/dbraw/zinc/27/20/17/1136272017.db2.gz IDHBYPKOBAJYDC-WWGRRREGSA-N 1 1 332.835 3.766 20 30 EHEDMO Cc1cc(C)c(C#N)c(NC[C@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC000216732639 1136384944 /nfs/dbraw/zinc/38/49/44/1136384944.db2.gz KZFBPSGWDVIVGJ-QGZVFWFLSA-N 1 1 328.847 3.938 20 30 EHEDMO CO[C@@H](C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)C1CCCCC1 ZINC000851882291 1136415601 /nfs/dbraw/zinc/41/56/01/1136415601.db2.gz XZOVBHPASJZUQA-VQTJNVASSA-N 1 1 328.456 3.527 20 30 EHEDMO CO[C@@H](C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)C1CCCCC1 ZINC000851882291 1136415603 /nfs/dbraw/zinc/41/56/03/1136415603.db2.gz XZOVBHPASJZUQA-VQTJNVASSA-N 1 1 328.456 3.527 20 30 EHEDMO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000852319631 1136447658 /nfs/dbraw/zinc/44/76/58/1136447658.db2.gz QPZUORZVVSTJDK-CVEARBPZSA-N 1 1 327.472 3.937 20 30 EHEDMO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000852319631 1136447661 /nfs/dbraw/zinc/44/76/61/1136447661.db2.gz QPZUORZVVSTJDK-CVEARBPZSA-N 1 1 327.472 3.937 20 30 EHEDMO CO[C@H](C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1)C1CCCCC1 ZINC000852330752 1136449306 /nfs/dbraw/zinc/44/93/06/1136449306.db2.gz HHRQJLFIDNOSGB-QUCCMNQESA-N 1 1 327.472 3.534 20 30 EHEDMO CO[C@H](C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1)C1CCCCC1 ZINC000852330752 1136449308 /nfs/dbraw/zinc/44/93/08/1136449308.db2.gz HHRQJLFIDNOSGB-QUCCMNQESA-N 1 1 327.472 3.534 20 30 EHEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852472830 1136458694 /nfs/dbraw/zinc/45/86/94/1136458694.db2.gz GPTPBSNNSSYYBN-LSDHHAIUSA-N 1 1 332.410 3.608 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)c1cc(C)n(-c2cc(C)on2)c1C ZINC000852686608 1136478016 /nfs/dbraw/zinc/47/80/16/1136478016.db2.gz YFAUUMCGUJCQSZ-CALCHBBNSA-N 1 1 339.439 3.756 20 30 EHEDMO CC(=[NH+]Nc1ccc(OC(F)F)cc1)c1cc([N+](=O)[O-])ccc1N ZINC000814828865 1136512061 /nfs/dbraw/zinc/51/20/61/1136512061.db2.gz UHSLSKSDHNQSIS-UHFFFAOYSA-N 1 1 336.298 3.615 20 30 EHEDMO C[C@H]1C(=NN[C@H]2CCOC(C)(C)C2)CCC[N@H+]1Cc1ccccc1 ZINC000814908557 1136523542 /nfs/dbraw/zinc/52/35/42/1136523542.db2.gz RAZWTDVFGQVSLO-WMZOPIPTSA-N 1 1 329.488 3.574 20 30 EHEDMO C[C@H]1C(=NN[C@H]2CCOC(C)(C)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000814908557 1136523544 /nfs/dbraw/zinc/52/35/44/1136523544.db2.gz RAZWTDVFGQVSLO-WMZOPIPTSA-N 1 1 329.488 3.574 20 30 EHEDMO C#Cc1cccnc1NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000853464808 1136534524 /nfs/dbraw/zinc/53/45/24/1136534524.db2.gz ZFQZIOMLGWBDJC-YJBOKZPZSA-N 1 1 343.833 3.960 20 30 EHEDMO N#Cc1cc(COC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)ccc1F ZINC000815444135 1136595779 /nfs/dbraw/zinc/59/57/79/1136595779.db2.gz SXKLYVRCYGPHKH-SFHVURJKSA-N 1 1 330.403 3.538 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000816457317 1136718421 /nfs/dbraw/zinc/71/84/21/1136718421.db2.gz YGCLOFALTCXWQJ-DYESRHJHSA-N 1 1 348.446 3.934 20 30 EHEDMO C#Cc1ccccc1CC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000816451996 1136722144 /nfs/dbraw/zinc/72/21/44/1136722144.db2.gz UQYPFCAUWQOMRH-XMSQKQJNSA-N 1 1 347.458 3.664 20 30 EHEDMO C=CCC1(C(=O)N2CC[NH+](CCc3ccccc3)CC2)CCCC1 ZINC001135891611 1136797923 /nfs/dbraw/zinc/79/79/23/1136797923.db2.gz FLAJRPKUYRCCHL-UHFFFAOYSA-N 1 1 326.484 3.510 20 30 EHEDMO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+](CCCC(C)(C)C#N)C2 ZINC000856816210 1136814937 /nfs/dbraw/zinc/81/49/37/1136814937.db2.gz PITUUFRBJSOYKW-DNVCBOLYSA-N 1 1 335.492 3.696 20 30 EHEDMO C[N@H+]1CCC[C@H](c2cccc(C(=O)Nc3ccc(F)c(C#N)c3)c2)C1 ZINC000857114891 1136845686 /nfs/dbraw/zinc/84/56/86/1136845686.db2.gz ZZVGZFPWEMIALM-INIZCTEOSA-N 1 1 337.398 3.759 20 30 EHEDMO C=CC[C@@H](NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)c1ccncc1 ZINC000857127063 1136846041 /nfs/dbraw/zinc/84/60/41/1136846041.db2.gz MDAHVOMYXHUDSE-NHCUHLMSSA-N 1 1 349.478 3.938 20 30 EHEDMO Clc1cnc(N=NC2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)nc1 ZINC000857220369 1136854655 /nfs/dbraw/zinc/85/46/55/1136854655.db2.gz HWNODLGROLLPRP-KRWDZBQOSA-N 1 1 341.846 3.897 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858011713 1136930467 /nfs/dbraw/zinc/93/04/67/1136930467.db2.gz XXEHSBLQSQFMMB-HXUWFJFHSA-N 1 1 333.435 3.874 20 30 EHEDMO N#CCOc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858046407 1136935033 /nfs/dbraw/zinc/93/50/33/1136935033.db2.gz MTMVCFPETJZGRP-FQEVSTJZSA-N 1 1 349.434 3.515 20 30 EHEDMO C=CCCn1cc(C[NH2+]Cc2cc(C)n(-c3cccc(C)c3)c2C)nn1 ZINC000858292527 1136955485 /nfs/dbraw/zinc/95/54/85/1136955485.db2.gz AUBCVQLVLBVJHJ-UHFFFAOYSA-N 1 1 349.482 3.860 20 30 EHEDMO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2nc(C)cs2)ccc1OC ZINC000858378677 1136962831 /nfs/dbraw/zinc/96/28/31/1136962831.db2.gz QAPSYXGOUHVSRE-UKRRQHHQSA-N 1 1 345.468 3.992 20 30 EHEDMO C#C[C@@H](NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC000820572859 1136997977 /nfs/dbraw/zinc/99/79/77/1136997977.db2.gz LUENLCDOKGGRJC-QGZVFWFLSA-N 1 1 347.890 3.530 20 30 EHEDMO C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccns1 ZINC000860056926 1137042744 /nfs/dbraw/zinc/04/27/44/1137042744.db2.gz JWGXZOLBASFQSK-LLVKDONJSA-N 1 1 326.343 3.744 20 30 EHEDMO COC(=O)c1ccc(C(=[NH2+])Nc2ccnc(Oc3ccccc3)c2)cc1 ZINC001170985221 1137056042 /nfs/dbraw/zinc/05/60/42/1137056042.db2.gz NVHSUIZUCGRSDD-UHFFFAOYSA-N 1 1 347.374 3.698 20 30 EHEDMO N#CCCC[C@@H]([NH3+])c1nc(CCc2c(Cl)cccc2Cl)no1 ZINC000822962359 1137081136 /nfs/dbraw/zinc/08/11/36/1137081136.db2.gz RCJWTVLVECFDPB-CYBMUJFWSA-N 1 1 339.226 3.855 20 30 EHEDMO CC(C)C#CC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000823190495 1137089266 /nfs/dbraw/zinc/08/92/66/1137089266.db2.gz GRIPECGOMHIKSY-UHFFFAOYSA-N 1 1 326.484 3.727 20 30 EHEDMO C[C@@H]1C[C@@H](C[N@@H+](CCC#N)CC2CC2)CCN1C(=O)OC(C)(C)C ZINC000823437873 1137099514 /nfs/dbraw/zinc/09/95/14/1137099514.db2.gz QFOISNMIFNJELT-WBVHZDCISA-N 1 1 335.492 3.648 20 30 EHEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000862442032 1137144732 /nfs/dbraw/zinc/14/47/32/1137144732.db2.gz XDOHBUWOPGSQRE-LLVKDONJSA-N 1 1 326.234 3.561 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000862445484 1137145231 /nfs/dbraw/zinc/14/52/31/1137145231.db2.gz VCYDWEVXSMAVFR-HNNXBMFYSA-N 1 1 347.384 3.795 20 30 EHEDMO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cn3)C2)c1 ZINC001136931553 1137150568 /nfs/dbraw/zinc/15/05/68/1137150568.db2.gz GZIUMPVPSVBVOU-GOSISDBHSA-N 1 1 327.815 3.650 20 30 EHEDMO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(Cl)cn3)C2)c1 ZINC001136931553 1137150569 /nfs/dbraw/zinc/15/05/69/1137150569.db2.gz GZIUMPVPSVBVOU-GOSISDBHSA-N 1 1 327.815 3.650 20 30 EHEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc([C@H](C#N)C(C)C)cc1 ZINC001171072572 1137159980 /nfs/dbraw/zinc/15/99/80/1137159980.db2.gz PCDNJOLOMGFHAD-MOPGFXCFSA-N 1 1 343.471 3.588 20 30 EHEDMO C=CCOCC[N@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000339060960 1137196594 /nfs/dbraw/zinc/19/65/94/1137196594.db2.gz UOOGJMVYAUQALU-GOSISDBHSA-N 1 1 329.419 3.945 20 30 EHEDMO C=CCOCC[N@@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000339060960 1137196595 /nfs/dbraw/zinc/19/65/95/1137196595.db2.gz UOOGJMVYAUQALU-GOSISDBHSA-N 1 1 329.419 3.945 20 30 EHEDMO C=CC[C@@H](C)C(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccc(OC)cc1 ZINC001144017795 1137229299 /nfs/dbraw/zinc/22/92/99/1137229299.db2.gz NCPNAPBVAUXMCA-IEBWSBKVSA-N 1 1 344.499 3.720 20 30 EHEDMO C=CCn1c(C)nn(C[N@@H+]2CCc3ccccc3[C@H](C)C2)c1=S ZINC000844743811 1137249119 /nfs/dbraw/zinc/24/91/19/1137249119.db2.gz ZVVSNPUYKBPRPC-CQSZACIVSA-N 1 1 328.485 3.528 20 30 EHEDMO C=CCn1c(C)nn(C[N@H+]2CCc3ccccc3[C@H](C)C2)c1=S ZINC000844743811 1137249121 /nfs/dbraw/zinc/24/91/21/1137249121.db2.gz ZVVSNPUYKBPRPC-CQSZACIVSA-N 1 1 328.485 3.528 20 30 EHEDMO C=C(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C(F)(F)F ZINC001144215583 1137252419 /nfs/dbraw/zinc/25/24/19/1137252419.db2.gz WJJQDWUPAKUHTK-HNNXBMFYSA-N 1 1 340.389 3.522 20 30 EHEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000794811944 1137264368 /nfs/dbraw/zinc/26/43/68/1137264368.db2.gz UYARTKZSUMPBHJ-ZDUSSCGKSA-N 1 1 345.240 3.707 20 30 EHEDMO CC(C)n1ncnc1C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000865471380 1137286730 /nfs/dbraw/zinc/28/67/30/1137286730.db2.gz RHPNUNJZOLZJDV-UHFFFAOYSA-N 1 1 337.452 3.749 20 30 EHEDMO CCC(CC)c1cc(C[NH2+]Cc2cc(C#N)ccc2N(C)C)on1 ZINC000865475825 1137287251 /nfs/dbraw/zinc/28/72/51/1137287251.db2.gz GMLSCZUFEFSWDB-UHFFFAOYSA-N 1 1 326.444 3.806 20 30 EHEDMO [NH2+]=C(Nc1cncc(OC(F)(F)F)c1)c1ccc2cc(O)ccc2c1 ZINC001171184847 1137294063 /nfs/dbraw/zinc/29/40/63/1137294063.db2.gz BPMZQBUXMWDPQN-UHFFFAOYSA-N 1 1 347.296 3.876 20 30 EHEDMO CCOC(=O)C[N@H+](Cc1ccccc1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171203486 1137322038 /nfs/dbraw/zinc/32/20/38/1137322038.db2.gz NEQGEUPASVEIPE-QGZVFWFLSA-N 1 1 336.435 3.555 20 30 EHEDMO CCOC(=O)C[N@@H+](Cc1ccccc1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171203486 1137322039 /nfs/dbraw/zinc/32/20/39/1137322039.db2.gz NEQGEUPASVEIPE-QGZVFWFLSA-N 1 1 336.435 3.555 20 30 EHEDMO C[N@H+](Cc1cscc1C(F)(F)F)C[C@H](O)c1cccc(C#N)c1 ZINC000846008230 1137325403 /nfs/dbraw/zinc/32/54/03/1137325403.db2.gz UIDYZEYCUYKHHU-HNNXBMFYSA-N 1 1 340.370 3.804 20 30 EHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cccc3cc[nH]c31)C2 ZINC001144712006 1137333165 /nfs/dbraw/zinc/33/31/65/1137333165.db2.gz GXXFXVWPKYNORP-TZIWHRDSSA-N 1 1 340.467 3.742 20 30 EHEDMO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000846116524 1137333936 /nfs/dbraw/zinc/33/39/36/1137333936.db2.gz CVUQHQYNSNNGOT-KRWDZBQOSA-N 1 1 343.471 3.671 20 30 EHEDMO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000846116524 1137333937 /nfs/dbraw/zinc/33/39/37/1137333937.db2.gz CVUQHQYNSNNGOT-KRWDZBQOSA-N 1 1 343.471 3.671 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001171213204 1137335113 /nfs/dbraw/zinc/33/51/13/1137335113.db2.gz WYPFZXIYZGJJBY-GOSISDBHSA-N 1 1 337.511 3.830 20 30 EHEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc3scnc3c1)C2 ZINC001144737632 1137341223 /nfs/dbraw/zinc/34/12/23/1137341223.db2.gz XPLXCFWKBVULKT-VQIMIIECSA-N 1 1 344.480 3.622 20 30 EHEDMO COC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc(F)c(F)c1 ZINC000866310649 1137344534 /nfs/dbraw/zinc/34/45/34/1137344534.db2.gz HXQIOHZJWZVHQA-GTNSWQLSSA-N 1 1 332.350 3.580 20 30 EHEDMO Cc1cccc(O[C@@H]2CCC[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)n1 ZINC001171231153 1137355202 /nfs/dbraw/zinc/35/52/02/1137355202.db2.gz HNLKMCQYOVJNNZ-FXAWDEMLSA-N 1 1 335.451 3.736 20 30 EHEDMO C=CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)C1 ZINC001146481461 1137391304 /nfs/dbraw/zinc/39/13/04/1137391304.db2.gz AFKNHUSQJUMMHU-YLJYHZDGSA-N 1 1 344.474 3.995 20 30 EHEDMO C=CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001146481461 1137391306 /nfs/dbraw/zinc/39/13/06/1137391306.db2.gz AFKNHUSQJUMMHU-YLJYHZDGSA-N 1 1 344.474 3.995 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCCC2(CCC2)C1 ZINC000348167141 1137449652 /nfs/dbraw/zinc/44/96/52/1137449652.db2.gz ISMZMSOLKRFZKV-INIZCTEOSA-N 1 1 332.513 3.917 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC001171400141 1137471655 /nfs/dbraw/zinc/47/16/55/1137471655.db2.gz SJWXKODAPXTDTF-OAHLLOKOSA-N 1 1 339.395 3.928 20 30 EHEDMO C=C(Br)CN(C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001171460312 1137490538 /nfs/dbraw/zinc/49/05/38/1137490538.db2.gz XLUZNSZXZQJHNI-QGZVFWFLSA-N 1 1 337.305 3.880 20 30 EHEDMO C=C(Br)CN(C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001171460309 1137490585 /nfs/dbraw/zinc/49/05/85/1137490585.db2.gz XLUZNSZXZQJHNI-KRWDZBQOSA-N 1 1 337.305 3.880 20 30 EHEDMO Cc1ccc(C[N@@H+](CCCOc2ccc(C#N)cc2)CC2CC2)cn1 ZINC001171502085 1137494895 /nfs/dbraw/zinc/49/48/95/1137494895.db2.gz QMJVJFFYZMQBQD-UHFFFAOYSA-N 1 1 335.451 3.943 20 30 EHEDMO C[C@H]1C[C@@H](N2CCc3ccc(C#N)cc3C2)C[N@H+]1Cc1ccccc1 ZINC001171749114 1137508292 /nfs/dbraw/zinc/50/82/92/1137508292.db2.gz HRJRXLIYJMPOLB-HTAPYJJXSA-N 1 1 331.463 3.579 20 30 EHEDMO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@](C)(C#N)C1)C2 ZINC001172107086 1137537340 /nfs/dbraw/zinc/53/73/40/1137537340.db2.gz YTTSREJZDFOOPY-RCJHGTSTSA-N 1 1 333.476 3.543 20 30 EHEDMO N#CC1(c2ccc(C(=O)Nc3cc[nH+]c(N4CCCCC4)c3)cc2)CC1 ZINC000888573438 1137542020 /nfs/dbraw/zinc/54/20/20/1137542020.db2.gz OCVODFGAWYHMBS-UHFFFAOYSA-N 1 1 346.434 3.879 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001172309488 1137545949 /nfs/dbraw/zinc/54/59/49/1137545949.db2.gz UOYKHPZYOHQOAD-XMSQKQJNSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172309488 1137545950 /nfs/dbraw/zinc/54/59/50/1137545950.db2.gz UOYKHPZYOHQOAD-XMSQKQJNSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172309488 1137545951 /nfs/dbraw/zinc/54/59/51/1137545951.db2.gz UOYKHPZYOHQOAD-XMSQKQJNSA-N 1 1 333.479 3.696 20 30 EHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(OC)c(OC)c2Cl)no1 ZINC000872184169 1137575614 /nfs/dbraw/zinc/57/56/14/1137575614.db2.gz SJTUUUHVEAHSOJ-VIFPVBQESA-N 1 1 344.198 3.550 20 30 EHEDMO CCN(CC)[C@H](C[NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1 ZINC000876883998 1137664563 /nfs/dbraw/zinc/66/45/63/1137664563.db2.gz FJPUWXGOKVWHLF-GOSISDBHSA-N 1 1 342.874 3.779 20 30 EHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 ZINC000876978122 1137666795 /nfs/dbraw/zinc/66/67/95/1137666795.db2.gz GZKSMBRLPIRBRJ-IRXDYDNUSA-N 1 1 345.805 3.756 20 30 EHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCc1cc(C#N)cnc1Cl ZINC000877125569 1137670879 /nfs/dbraw/zinc/67/08/79/1137670879.db2.gz PHAZJCCLPNWEDC-UHFFFAOYSA-N 1 1 342.874 3.607 20 30 EHEDMO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877125569 1137670880 /nfs/dbraw/zinc/67/08/80/1137670880.db2.gz PHAZJCCLPNWEDC-UHFFFAOYSA-N 1 1 342.874 3.607 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@@H+](C)CCc2cccc(C#N)c2)cc1 ZINC000877704938 1137686413 /nfs/dbraw/zinc/68/64/13/1137686413.db2.gz XVVPLNNZRGDYGF-UHFFFAOYSA-N 1 1 332.451 3.583 20 30 EHEDMO C#CCCCCCC[NH+]1CCC(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000877780564 1137689600 /nfs/dbraw/zinc/68/96/00/1137689600.db2.gz VDLQENZZNXLMHJ-UHFFFAOYSA-N 1 1 347.524 3.817 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000878021649 1137699813 /nfs/dbraw/zinc/69/98/13/1137699813.db2.gz MPESHIUCBDSLCS-IRXDYDNUSA-N 1 1 347.503 3.792 20 30 EHEDMO CCCO[C@H]1CCC[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878088043 1137701824 /nfs/dbraw/zinc/70/18/24/1137701824.db2.gz FTEVADJAHPYFFW-LEWJYISDSA-N 1 1 342.483 3.708 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCc2cc(F)ccc2C1)c1ccccc1 ZINC000878336062 1137711292 /nfs/dbraw/zinc/71/12/92/1137711292.db2.gz CBHRAKZMNWMXET-NRFANRHFSA-N 1 1 336.410 3.624 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCc2cc(F)ccc2C1)c1ccccc1 ZINC000878336062 1137711293 /nfs/dbraw/zinc/71/12/93/1137711293.db2.gz CBHRAKZMNWMXET-NRFANRHFSA-N 1 1 336.410 3.624 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@H](Oc2ccccc2)C1)c1ccccc1 ZINC000878758857 1137727283 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N#Cc1ccc(NC(=O)CC[N@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC000084137923 1138177870 /nfs/dbraw/zinc/17/78/70/1138177870.db2.gz ZVRHEUKIOKLSGW-UHFFFAOYSA-N 1 1 339.361 3.551 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2cc(Cl)cn2C)cc1 ZINC000091931120 1138223142 /nfs/dbraw/zinc/22/31/42/1138223142.db2.gz KYRHEACKQCQLQU-UHFFFAOYSA-N 1 1 330.863 3.660 20 30 EHEDMO CSC[C@H]1CCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093760742 1138241003 /nfs/dbraw/zinc/24/10/03/1138241003.db2.gz AEMWVRZQZWPEHG-GOSISDBHSA-N 1 1 340.496 3.791 20 30 EHEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000121644296 1138247893 /nfs/dbraw/zinc/24/78/93/1138247893.db2.gz AZQLKBHXWRFADK-ZLOXQWCVSA-N 1 1 330.428 3.628 20 30 EHEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000121644296 1138247895 /nfs/dbraw/zinc/24/78/95/1138247895.db2.gz AZQLKBHXWRFADK-ZLOXQWCVSA-N 1 1 330.428 3.628 20 30 EHEDMO CCC[N@@H+](CCCC1(C#N)CCOCC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000337178477 1138487068 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CC[N@H+](CC(=O)Nc1ccccc1OC)[C@H](C)c1cccc(C#N)c1 ZINC000189758188 1016710022 /nfs/dbraw/zinc/71/00/22/1016710022.db2.gz ZBNBUYIQOFHIJN-OAHLLOKOSA-N 1 1 337.423 3.588 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1ccccc1OC)[C@H](C)c1cccc(C#N)c1 ZINC000189758188 1016710034 /nfs/dbraw/zinc/71/00/34/1016710034.db2.gz ZBNBUYIQOFHIJN-OAHLLOKOSA-N 1 1 337.423 3.588 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC000414490045 1016933608 /nfs/dbraw/zinc/93/36/08/1016933608.db2.gz UVOLSBUINRPRHB-WMZOPIPTSA-N 1 1 346.352 3.885 20 30 EHEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC000414490045 1016933614 /nfs/dbraw/zinc/93/36/14/1016933614.db2.gz UVOLSBUINRPRHB-WMZOPIPTSA-N 1 1 346.352 3.885 20 30 EHEDMO CCC(C#N)(CC)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000528379957 1032188240 /nfs/dbraw/zinc/18/82/40/1032188240.db2.gz QCAKNTHSTIFMSX-UHFFFAOYSA-N 1 1 341.499 3.687 20 30 EHEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2ccc3nnc(C)n3c2)no1 ZINC000904695873 1032197015 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EHEDMO COc1cccc([C@H]2C[N@H+](Cc3nc(C#N)cs3)CC2(C)C)c1 ZINC000528617695 1032514968 /nfs/dbraw/zinc/51/49/68/1032514968.db2.gz HRCABUCBSMZFRV-MRXNPFEDSA-N 1 1 327.453 3.649 20 30 EHEDMO COc1cccc([C@H]2C[N@@H+](Cc3nc(C#N)cs3)CC2(C)C)c1 ZINC000528617695 1032514978 /nfs/dbraw/zinc/51/49/78/1032514978.db2.gz HRCABUCBSMZFRV-MRXNPFEDSA-N 1 1 327.453 3.649 20 30 EHEDMO CCC(C#N)(CC)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000528615979 1032511888 /nfs/dbraw/zinc/51/18/88/1032511888.db2.gz ISZKUQNIGOMROZ-HKUYNNGSSA-N 1 1 341.499 3.828 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1OC ZINC000449457343 1032574191 /nfs/dbraw/zinc/57/41/91/1032574191.db2.gz USQUDNCZEKOYAM-IPMKNSEASA-N 1 1 345.483 3.776 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1OC ZINC000449470766 1032588252 /nfs/dbraw/zinc/58/82/52/1032588252.db2.gz OCYONNXRFJQMRD-QRVBRYPASA-N 1 1 345.483 3.776 20 30 EHEDMO C[N@H+]1CC[C@H](CC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000602097876 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348.535 3.612 20 30 EHEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)c1ccccc1C ZINC000330274154 1017310234 /nfs/dbraw/zinc/31/02/34/1017310234.db2.gz JRAKKLHNLYILCQ-CYBMUJFWSA-N 1 1 337.427 3.597 20 30 EHEDMO N#Cc1cc(F)ccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000377124206 1017354841 /nfs/dbraw/zinc/35/48/41/1017354841.db2.gz DCXPUMABWBNVLY-NJYVYQBISA-N 1 1 336.410 3.702 20 30 EHEDMO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 ZINC000472677845 1017423405 /nfs/dbraw/zinc/42/34/05/1017423405.db2.gz NGIRUOKNCAIDQI-RBUKOAKNSA-N 1 1 347.499 3.818 20 30 EHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC2(C(=O)OC)CCCC2)cc1 ZINC001167716360 1017781178 /nfs/dbraw/zinc/78/11/78/1017781178.db2.gz KHEKFYIGAJDMRI-GOSISDBHSA-N 1 1 328.456 3.907 20 30 EHEDMO C=CCCCCNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472776954 1017875443 /nfs/dbraw/zinc/87/54/43/1017875443.db2.gz WBGMXGCJPQJHSX-PKOBYXMFSA-N 1 1 329.488 3.553 20 30 EHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cc2ccccc2n(C)c1=O ZINC000579974779 1017932806 /nfs/dbraw/zinc/93/28/06/1017932806.db2.gz ZUJHHSPTGDURLE-UHFFFAOYSA-N 1 1 325.456 3.690 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[NH+]1CC(C)C1 ZINC000583821456 1018023447 /nfs/dbraw/zinc/02/34/47/1018023447.db2.gz KKAYAMJOEAPTMI-OAHLLOKOSA-N 1 1 335.407 3.629 20 30 EHEDMO C=CCCCCNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000472852581 1018293028 /nfs/dbraw/zinc/29/30/28/1018293028.db2.gz RQEHCYCBRWPYAL-UHFFFAOYSA-N 1 1 349.906 3.914 20 30 EHEDMO C=CCCCCNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000472852581 1018293040 /nfs/dbraw/zinc/29/30/40/1018293040.db2.gz RQEHCYCBRWPYAL-UHFFFAOYSA-N 1 1 349.906 3.914 20 30 EHEDMO CC[NH+](CC)CCOc1ccccc1CNCc1cc(C#N)cs1 ZINC000177686151 1018464655 /nfs/dbraw/zinc/46/46/55/1018464655.db2.gz BWCIVZSHADWZGS-UHFFFAOYSA-N 1 1 343.496 3.630 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C2CCCC2)CC1 ZINC000610370741 1018545937 /nfs/dbraw/zinc/54/59/37/1018545937.db2.gz BOPLUQXZYXYOAH-HNNXBMFYSA-N 1 1 325.456 3.787 20 30 EHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000580148553 1018708431 /nfs/dbraw/zinc/70/84/31/1018708431.db2.gz LUSCGWFQYLCIHH-QGZVFWFLSA-N 1 1 339.464 3.828 20 30 EHEDMO COCC[N@@H+](CCC#N)CC/C=C/c1ccc(Br)cc1 ZINC000610391650 1018711900 /nfs/dbraw/zinc/71/19/00/1018711900.db2.gz CHAGHLVNSXPBJA-GORDUTHDSA-N 1 1 337.261 3.714 20 30 EHEDMO COCC[N@H+](CCC#N)CC/C=C/c1ccc(Br)cc1 ZINC000610391650 1018711913 /nfs/dbraw/zinc/71/19/13/1018711913.db2.gz CHAGHLVNSXPBJA-GORDUTHDSA-N 1 1 337.261 3.714 20 30 EHEDMO CC(C)(NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(C#N)c1 ZINC000597950399 1032791285 /nfs/dbraw/zinc/79/12/85/1032791285.db2.gz ROHLQKLBQRBZQL-QGZVFWFLSA-N 1 1 339.483 3.564 20 30 EHEDMO Cc1ccccc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2C)CC1 ZINC000614395946 1018972614 /nfs/dbraw/zinc/97/26/14/1018972614.db2.gz BZBZGJZPSWRJDB-UHFFFAOYSA-N 1 1 333.479 3.883 20 30 EHEDMO Cc1ccccc1CN1CCC[N@H+](Cc2ccc(C#N)cc2C)CC1 ZINC000614395946 1018972628 /nfs/dbraw/zinc/97/26/28/1018972628.db2.gz BZBZGJZPSWRJDB-UHFFFAOYSA-N 1 1 333.479 3.883 20 30 EHEDMO Cc1ccccc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2C)CC1 ZINC000614395946 1018972640 /nfs/dbraw/zinc/97/26/40/1018972640.db2.gz BZBZGJZPSWRJDB-UHFFFAOYSA-N 1 1 333.479 3.883 20 30 EHEDMO CN(C)c1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)c1 ZINC000536346970 1018980074 /nfs/dbraw/zinc/98/00/74/1018980074.db2.gz AEOKNKSWKFUUOB-UHFFFAOYSA-N 1 1 345.393 3.858 20 30 EHEDMO C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000606704608 1032803109 /nfs/dbraw/zinc/80/31/09/1032803109.db2.gz TVUOELVDQSORJX-GOSISDBHSA-N 1 1 333.520 3.781 20 30 EHEDMO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)c1cccc(C#N)c1 ZINC000610429790 1019077571 /nfs/dbraw/zinc/07/75/71/1019077571.db2.gz FUHGEQIMYGOYLK-LAUBAEHRSA-N 1 1 347.462 3.790 20 30 EHEDMO COc1cccc(O)c1C=Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000729150427 1019208621 /nfs/dbraw/zinc/20/86/21/1019208621.db2.gz VMYRBFHLSRLUQL-HNNXBMFYSA-N 1 1 340.423 3.545 20 30 EHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl 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329.400 3.644 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000581098587 1020427376 /nfs/dbraw/zinc/42/73/76/1020427376.db2.gz GFDIZOAICWNWLR-QGZVFWFLSA-N 1 1 343.492 3.882 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000602466632 1032902183 /nfs/dbraw/zinc/90/21/83/1032902183.db2.gz VZRNQXSMLCMCIC-ZBFHGGJFSA-N 1 1 342.418 3.995 20 30 EHEDMO N#Cc1ccccc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183171987 1020469309 /nfs/dbraw/zinc/46/93/09/1020469309.db2.gz ZSRXITFYDHNKTM-UHFFFAOYSA-N 1 1 334.345 3.611 20 30 EHEDMO CC(C)C[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000345855118 1020559000 /nfs/dbraw/zinc/55/90/00/1020559000.db2.gz YTEZSXZWAWCUND-GOSISDBHSA-N 1 1 327.472 3.691 20 30 EHEDMO C[C@H](CCC#N)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000602483896 1032914615 /nfs/dbraw/zinc/91/46/15/1032914615.db2.gz JUCDDDSJBBZXEH-HMXCVIKNSA-N 1 1 325.500 3.913 20 30 EHEDMO C[C@H](CCC#N)CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 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3.514 20 30 EHEDMO Cc1cnc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)o1 ZINC000330110670 1024321255 /nfs/dbraw/zinc/32/12/55/1024321255.db2.gz QSCSEQNIXBTDBJ-CQSZACIVSA-N 1 1 334.464 3.505 20 30 EHEDMO C=CCCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000434744825 1024395904 /nfs/dbraw/zinc/39/59/04/1024395904.db2.gz VUAUZMPZUAQWMT-WSTZPKSXSA-N 1 1 332.536 3.870 20 30 EHEDMO CSc1ccccc1NC(=O)CC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026329407 1033209586 /nfs/dbraw/zinc/20/95/86/1033209586.db2.gz RKBOWZPTWOZZDQ-UHFFFAOYSA-N 1 1 339.464 3.741 20 30 EHEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000434993420 1024548146 /nfs/dbraw/zinc/54/81/46/1024548146.db2.gz YYASEMZNSAKPNR-GOSISDBHSA-N 1 1 337.471 3.727 20 30 EHEDMO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000071887155 1024573861 /nfs/dbraw/zinc/57/38/61/1024573861.db2.gz DQBNLGQKMWHWKQ-FQEVSTJZSA-N 1 1 348.450 3.734 20 30 EHEDMO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000071887155 1024573869 /nfs/dbraw/zinc/57/38/69/1024573869.db2.gz DQBNLGQKMWHWKQ-FQEVSTJZSA-N 1 1 348.450 3.734 20 30 EHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000330315264 1024689672 /nfs/dbraw/zinc/68/96/72/1024689672.db2.gz YOALQXVMSJKLSS-MRXNPFEDSA-N 1 1 344.459 3.663 20 30 EHEDMO Cc1nn(C)c2ncc(C[N@@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc12 ZINC000353959332 1024718790 /nfs/dbraw/zinc/71/87/90/1024718790.db2.gz UFXBLQKXIVKDPW-PMACEKPBSA-N 1 1 345.450 3.549 20 30 EHEDMO Cc1nn(C)c2ncc(C[N@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc12 ZINC000353959332 1024718802 /nfs/dbraw/zinc/71/88/02/1024718802.db2.gz UFXBLQKXIVKDPW-PMACEKPBSA-N 1 1 345.450 3.549 20 30 EHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cnc(CC(F)(F)F)s1 ZINC000895786240 1024832140 /nfs/dbraw/zinc/83/21/40/1024832140.db2.gz ONUUGNKFFHMXAW-UHFFFAOYSA-N 1 1 339.386 3.794 20 30 EHEDMO COCCOCc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425365844 1024869801 /nfs/dbraw/zinc/86/98/01/1024869801.db2.gz NHVXVCYSKQVKTG-QGZVFWFLSA-N 1 1 338.451 3.914 20 30 EHEDMO C[C@@H](C(=O)N[C@@H](C#N)c1ccccc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000505689880 1024901310 /nfs/dbraw/zinc/90/13/10/1024901310.db2.gz KQQAQJCNUCSWDF-KSSFIOAISA-N 1 1 341.842 3.541 20 30 EHEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000281380630 1024958966 /nfs/dbraw/zinc/95/89/66/1024958966.db2.gz YHVUGBJIWUBGBX-QGZVFWFLSA-N 1 1 341.499 3.586 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000338120117 1024967855 /nfs/dbraw/zinc/96/78/55/1024967855.db2.gz RJAVANZOHPFOJJ-WMZOPIPTSA-N 1 1 339.483 3.593 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000051377001 1025039716 /nfs/dbraw/zinc/03/97/16/1025039716.db2.gz SCBFDACPQSYGMU-IBGZPJMESA-N 1 1 330.378 3.782 20 30 EHEDMO CC(C)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000435679202 1025064082 /nfs/dbraw/zinc/06/40/82/1025064082.db2.gz WXLXUEUQOAWEND-HNNXBMFYSA-N 1 1 331.485 3.751 20 30 EHEDMO COC(=O)c1ccc(Cl)c(C[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000611574915 1025252649 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20 30 EHEDMO CC[N@@H+](Cc1cn(C)nc1-c1ccncc1)[C@H](C)c1ccc(C#N)cc1 ZINC000119877044 1025375038 /nfs/dbraw/zinc/37/50/38/1025375038.db2.gz PAKRQLHMWIUYQV-MRXNPFEDSA-N 1 1 345.450 3.937 20 30 EHEDMO C=C(C)CN1CCC([NH2+]Cc2cccc(F)c2OC(F)F)CC1 ZINC000657351953 1025387676 /nfs/dbraw/zinc/38/76/76/1025387676.db2.gz CMHVTFFVXJKRKQ-UHFFFAOYSA-N 1 1 328.378 3.557 20 30 EHEDMO C=CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC1CCCCC1 ZINC000444083904 1025426394 /nfs/dbraw/zinc/42/63/94/1025426394.db2.gz QWLOCZPFPKAZSX-UHFFFAOYSA-N 1 1 345.443 3.910 20 30 EHEDMO C[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCC[C@@H]1C#N ZINC000602978098 1033282871 /nfs/dbraw/zinc/28/28/71/1033282871.db2.gz LPETVHWRGBNILT-UKRRQHHQSA-N 1 1 330.819 3.557 20 30 EHEDMO C[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCC[C@@H]1C#N ZINC000602978098 1033282882 /nfs/dbraw/zinc/28/28/82/1033282882.db2.gz LPETVHWRGBNILT-UKRRQHHQSA-N 1 1 330.819 3.557 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000505770111 1025449714 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EHEDMO CC[N@H+](Cc1ccc(C#N)c(OC)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000442859988 1025532341 /nfs/dbraw/zinc/53/23/41/1025532341.db2.gz YHOSHKFVWBTNPH-NRFANRHFSA-N 1 1 349.478 3.663 20 30 EHEDMO CC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000442859988 1025532353 /nfs/dbraw/zinc/53/23/53/1025532353.db2.gz YHOSHKFVWBTNPH-NRFANRHFSA-N 1 1 349.478 3.663 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(F)cc1C(=O)OC ZINC000505789835 1025588877 /nfs/dbraw/zinc/58/88/77/1025588877.db2.gz IWJIZHLVPFLACM-UHFFFAOYSA-N 1 1 327.399 3.843 20 30 EHEDMO CNc1ccc(C#N)cc1NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000329125288 1025614761 /nfs/dbraw/zinc/61/47/61/1025614761.db2.gz XZDBPUCSAXHYRW-GOSISDBHSA-N 1 1 326.444 3.985 20 30 EHEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000329213319 1025670471 /nfs/dbraw/zinc/67/04/71/1025670471.db2.gz JFSGVBYTCGUFQD-AWEZNQCLSA-N 1 1 347.484 3.949 20 30 EHEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000179315949 1025681383 /nfs/dbraw/zinc/68/13/83/1025681383.db2.gz JAJWMZCHAKUYEF-UHFFFAOYSA-N 1 1 342.395 3.800 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000179315949 1025681389 /nfs/dbraw/zinc/68/13/89/1025681389.db2.gz JAJWMZCHAKUYEF-UHFFFAOYSA-N 1 1 342.395 3.800 20 30 EHEDMO CCC1CCC([N@@H+](CC(=O)NCc2cccc(C#N)c2)C2CC2)CC1 ZINC000521814541 1025689243 /nfs/dbraw/zinc/68/92/43/1025689243.db2.gz BLVLDZLUBQQQBR-UHFFFAOYSA-N 1 1 339.483 3.608 20 30 EHEDMO COC(=O)[C@@H](CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000425540404 1025690154 /nfs/dbraw/zinc/69/01/54/1025690154.db2.gz VFWBPXIIHLAXAK-JXFKEZNVSA-N 1 1 336.435 3.898 20 30 EHEDMO C[C@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000521814200 1025690752 /nfs/dbraw/zinc/69/07/52/1025690752.db2.gz NLAHGZPPWWEWPI-CQSZACIVSA-N 1 1 341.842 3.521 20 30 EHEDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000521814200 1025690759 /nfs/dbraw/zinc/69/07/59/1025690759.db2.gz NLAHGZPPWWEWPI-CQSZACIVSA-N 1 1 341.842 3.521 20 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DLENVXAVSISBQQ-SFHVURJKSA-N 1 1 338.480 3.908 20 30 EHEDMO C=CCn1cc(C[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)nn1 ZINC000424294326 1028935709 /nfs/dbraw/zinc/93/57/09/1028935709.db2.gz KONXTKQJLHHKDE-OAHLLOKOSA-N 1 1 334.876 3.834 20 30 EHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@H](CC)c1ccncc1 ZINC000245686229 1029004411 /nfs/dbraw/zinc/00/44/11/1029004411.db2.gz AIRYELFWNIOBQK-WOJBJXKFSA-N 1 1 340.467 3.633 20 30 EHEDMO CCC[C@H]1CN(C(=O)c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000343089965 1029104498 /nfs/dbraw/zinc/10/44/98/1029104498.db2.gz VSXRYTGBWSJELF-NRFANRHFSA-N 1 1 347.462 3.685 20 30 EHEDMO C[C@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000052161916 1029140802 /nfs/dbraw/zinc/14/08/02/1029140802.db2.gz LTYUROBPRKXOHG-CQSZACIVSA-N 1 1 333.863 3.675 20 30 EHEDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000052161916 1029140812 /nfs/dbraw/zinc/14/08/12/1029140812.db2.gz LTYUROBPRKXOHG-CQSZACIVSA-N 1 1 333.863 3.675 20 30 EHEDMO C=C(C)C(C)(C)C(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000424661995 1029224491 /nfs/dbraw/zinc/22/44/91/1029224491.db2.gz IRTRJIUSYNNASX-UHFFFAOYSA-N 1 1 349.544 3.636 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)N(CC#N)C2CCCC2)cc1)C(C)C ZINC000078207248 1029241379 /nfs/dbraw/zinc/24/13/79/1029241379.db2.gz HGGLOMCWXFPRFP-UHFFFAOYSA-N 1 1 327.472 3.825 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000524619897 1029371353 /nfs/dbraw/zinc/37/13/53/1029371353.db2.gz NOXBUBFOAWNADK-AWEZNQCLSA-N 1 1 340.398 3.704 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000524619897 1029371369 /nfs/dbraw/zinc/37/13/69/1029371369.db2.gz NOXBUBFOAWNADK-AWEZNQCLSA-N 1 1 340.398 3.704 20 30 EHEDMO C=C(C)C(C)(C)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000424844432 1029382515 /nfs/dbraw/zinc/38/25/15/1029382515.db2.gz UMFOFIPORGTRMY-NRFANRHFSA-N 1 1 326.484 3.713 20 30 EHEDMO CC1(C#N)CC[NH+]([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000272589889 1029523195 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RLCZKFFLGORBGQ-OLZOCXBDSA-N 1 1 349.475 3.507 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](CCF)C1 ZINC000595755921 1033984988 /nfs/dbraw/zinc/98/49/88/1033984988.db2.gz RLCZKFFLGORBGQ-OLZOCXBDSA-N 1 1 349.475 3.507 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450272328 1033993373 /nfs/dbraw/zinc/99/33/73/1033993373.db2.gz BFDGFSTWHCVNTG-PBHICJAKSA-N 1 1 336.395 3.714 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000595844936 1034007934 /nfs/dbraw/zinc/00/79/34/1034007934.db2.gz IOLODMGAXRYXKE-LZQZEXGQSA-N 1 1 341.430 3.644 20 30 EHEDMO Cc1c(Cl)cnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1C#N ZINC000612085207 1034010606 /nfs/dbraw/zinc/01/06/06/1034010606.db2.gz VLMQCCZVTUPSKN-MRXNPFEDSA-N 1 1 340.858 3.626 20 30 EHEDMO Cc1ccc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)cc1C#N ZINC000599582768 1034024445 /nfs/dbraw/zinc/02/44/45/1034024445.db2.gz OZWYAHXBIDWTRR-CRAIPNDOSA-N 1 1 328.456 3.666 20 30 EHEDMO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Br)cn1 ZINC000612517486 1034043795 /nfs/dbraw/zinc/04/37/95/1034043795.db2.gz WEGSNRQGHIUKCX-GFCCVEGCSA-N 1 1 347.260 3.949 20 30 EHEDMO CCOC(=O)c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)nc1 ZINC000450301085 1034056721 /nfs/dbraw/zinc/05/67/21/1034056721.db2.gz HWCKNIZKNHWDOX-UHFFFAOYSA-N 1 1 337.423 3.541 20 30 EHEDMO C=CCOc1ccccc1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000599631714 1034057138 /nfs/dbraw/zinc/05/71/38/1034057138.db2.gz ZBPJAQAYLXANPB-QGZVFWFLSA-N 1 1 338.451 3.502 20 30 EHEDMO Cc1ccc(C#N)nc1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000596100906 1034062599 /nfs/dbraw/zinc/06/25/99/1034062599.db2.gz DBJZTDUVNZRHJP-HNNXBMFYSA-N 1 1 326.469 3.647 20 30 EHEDMO COCC[N@@H+](CCCC(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000450318903 1034126250 /nfs/dbraw/zinc/12/62/50/1034126250.db2.gz XJXQPPRRZVYOLN-UHFFFAOYSA-N 1 1 336.435 3.670 20 30 EHEDMO Cc1cc(N[C@@H]2CS[C@H](C)C2)c(C#N)c(N[C@@H]2CS[C@@H](C)C2)[nH+]1 ZINC000596273903 1034139705 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CC(C)(C)C(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000572106149 1035997238 /nfs/dbraw/zinc/99/72/38/1035997238.db2.gz IBQJOIUEOZPTSO-UHFFFAOYSA-N 1 1 341.499 3.665 20 30 EHEDMO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCOc3ccc(C#N)cc3)CC2)C1 ZINC000090107825 1036036913 /nfs/dbraw/zinc/03/69/13/1036036913.db2.gz JAWASXXDWFMUEC-XLIONFOSSA-N 1 1 341.499 3.570 20 30 EHEDMO Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc(C#N)c(C)c2)CC1 ZINC000443974800 1036142058 /nfs/dbraw/zinc/14/20/58/1036142058.db2.gz WLCBVNGMGUCUGF-UHFFFAOYSA-N 1 1 333.479 3.929 20 30 EHEDMO Cc1ccccc1C[NH+]1CCC(NCc2ccc(C#N)c(C)c2)CC1 ZINC000443974800 1036142083 /nfs/dbraw/zinc/14/20/83/1036142083.db2.gz WLCBVNGMGUCUGF-UHFFFAOYSA-N 1 1 333.479 3.929 20 30 EHEDMO Cc1cc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)ccc1C#N ZINC000443986691 1036196111 /nfs/dbraw/zinc/19/61/11/1036196111.db2.gz LMBIMHSYHLPCSO-UHFFFAOYSA-N 1 1 342.446 3.831 20 30 EHEDMO C[C@H](CNCc1ccc(C#N)cc1C(F)(F)F)[N@@H+]1CCC[C@H](C)C1 ZINC000589308730 1036355237 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CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCCOC)cc1 ZINC000508647819 1036515264 /nfs/dbraw/zinc/51/52/64/1036515264.db2.gz AIKOKJRUJLYIEC-UHFFFAOYSA-N 1 1 338.451 3.996 20 30 EHEDMO N#C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1Cl ZINC000176679921 1036672675 /nfs/dbraw/zinc/67/26/75/1036672675.db2.gz WRAFJPLSYWQRHJ-KDOFPFPSSA-N 1 1 345.874 3.675 20 30 EHEDMO N#CC1(CCC[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)CCOCC1 ZINC000282098989 1036700833 /nfs/dbraw/zinc/70/08/33/1036700833.db2.gz VVJYWNUBSWEPLP-IAGOWNOFSA-N 1 1 348.512 3.737 20 30 EHEDMO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000464723640 1036705110 /nfs/dbraw/zinc/70/51/10/1036705110.db2.gz BULYVWXDEMRBHV-IFXJQAMLSA-N 1 1 337.398 3.719 20 30 EHEDMO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000464723640 1036705123 /nfs/dbraw/zinc/70/51/23/1036705123.db2.gz BULYVWXDEMRBHV-IFXJQAMLSA-N 1 1 337.398 3.719 20 30 EHEDMO C[C@]1(O)CCCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000428192496 1036729262 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3.715 20 30 EHEDMO C[NH+](C)CCC1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177201602 1037417802 /nfs/dbraw/zinc/41/78/02/1037417802.db2.gz ZWWSNGCZWLQZEV-UHFFFAOYSA-N 1 1 338.417 3.721 20 30 EHEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000573250048 1037430014 /nfs/dbraw/zinc/43/00/14/1037430014.db2.gz VNGXBFDGYVVMFK-OAQYLSRUSA-N 1 1 345.450 3.545 20 30 EHEDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000181176118 1037449004 /nfs/dbraw/zinc/44/90/04/1037449004.db2.gz KIOYRTAFHGOXGJ-NSHDSACASA-N 1 1 327.291 3.894 20 30 EHEDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1O ZINC000164432026 1037500204 /nfs/dbraw/zinc/50/02/04/1037500204.db2.gz NACUIUXIQSSJCX-RBUKOAKNSA-N 1 1 336.435 3.981 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(NCc2cccc(OCCCC#N)c2)cn1 ZINC000376549013 1037578878 /nfs/dbraw/zinc/57/88/78/1037578878.db2.gz TUJDCDNPRQNGCW-UHFFFAOYSA-N 1 1 347.422 3.870 20 30 EHEDMO C=CCN(C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000540129394 1037586647 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N#Cc1cccc(NC(=O)C[N@@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)c1 ZINC000592187608 1037922818 /nfs/dbraw/zinc/92/28/18/1037922818.db2.gz NDAYAKHYGQSUKV-OAQYLSRUSA-N 1 1 343.430 3.890 20 30 EHEDMO N#Cc1cccc(NC(=O)C[N@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)c1 ZINC000592187608 1037922837 /nfs/dbraw/zinc/92/28/37/1037922837.db2.gz NDAYAKHYGQSUKV-OAQYLSRUSA-N 1 1 343.430 3.890 20 30 EHEDMO N#Cc1cnn2cc(C[N@H+]3CCC[C@@H]3c3ccc(Cl)cc3)cnc12 ZINC000573967602 1037957287 /nfs/dbraw/zinc/95/72/87/1037957287.db2.gz ZLCGNVSZUDKKJR-QGZVFWFLSA-N 1 1 337.814 3.591 20 30 EHEDMO N#Cc1cnn2cc(C[N@@H+]3CCC[C@@H]3c3ccc(Cl)cc3)cnc12 ZINC000573967602 1037957305 /nfs/dbraw/zinc/95/73/05/1037957305.db2.gz ZLCGNVSZUDKKJR-QGZVFWFLSA-N 1 1 337.814 3.591 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)C1 ZINC000290614294 1038001462 /nfs/dbraw/zinc/00/14/62/1038001462.db2.gz KPNVIASWVMWHPY-CVEARBPZSA-N 1 1 342.443 3.557 20 30 EHEDMO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3cccc(Cl)c3)s2)C1 ZINC000592523682 1038019636 /nfs/dbraw/zinc/01/96/36/1038019636.db2.gz QRAMHJIPQRFADG-QGZVFWFLSA-N 1 1 332.856 3.919 20 30 EHEDMO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccccc1 ZINC000010035192 1038446348 /nfs/dbraw/zinc/44/63/48/1038446348.db2.gz HLIWAMRYCZXCPA-UHFFFAOYSA-N 1 1 341.842 3.719 20 30 EHEDMO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccccc1 ZINC000010035192 1038446354 /nfs/dbraw/zinc/44/63/54/1038446354.db2.gz HLIWAMRYCZXCPA-UHFFFAOYSA-N 1 1 341.842 3.719 20 30 EHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000462067015 1038731350 /nfs/dbraw/zinc/73/13/50/1038731350.db2.gz JUVFSVCAYUGVDV-DLBZAZTESA-N 1 1 341.499 3.679 20 30 EHEDMO CC(C)[C@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)N1CCCCCC1 ZINC000236680193 1038751054 /nfs/dbraw/zinc/75/10/54/1038751054.db2.gz CDFQKAXADLDPKH-RXVVDRJESA-N 1 1 343.515 3.968 20 30 EHEDMO CC[N@@H+]1CCC[C@@H]1CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000236837341 1038877106 /nfs/dbraw/zinc/87/71/06/1038877106.db2.gz KPZRNOXEGZWZQU-OAQYLSRUSA-N 1 1 349.478 3.711 20 30 EHEDMO CC[N@H+]1CCC[C@@H]1CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000236837341 1038877128 /nfs/dbraw/zinc/87/71/28/1038877128.db2.gz KPZRNOXEGZWZQU-OAQYLSRUSA-N 1 1 349.478 3.711 20 30 EHEDMO C=C(C)CN(CC)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512397506 1039002171 /nfs/dbraw/zinc/00/21/71/1039002171.db2.gz FOVZNWRFJJHAOM-ICSRJNTNSA-N 1 1 343.515 3.895 20 30 EHEDMO C=CC[N@@H+](CCOCCC#N)Cc1cc(Br)ccc1F ZINC000338943661 1039092942 /nfs/dbraw/zinc/09/29/42/1039092942.db2.gz GIGSPWIADDGWAD-UHFFFAOYSA-N 1 1 341.224 3.506 20 30 EHEDMO C=CC[N@H+](CCOCCC#N)Cc1cc(Br)ccc1F ZINC000338943661 1039092962 /nfs/dbraw/zinc/09/29/62/1039092962.db2.gz GIGSPWIADDGWAD-UHFFFAOYSA-N 1 1 341.224 3.506 20 30 EHEDMO C[NH+](C)Cc1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1Cl ZINC000478056985 1039158597 /nfs/dbraw/zinc/15/85/97/1039158597.db2.gz WEHYSDUMOMMUOK-UHFFFAOYSA-N 1 1 341.842 3.845 20 30 EHEDMO C[C@@H](C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H](C)CO)c1ccccc1 ZINC000554284451 1039161328 /nfs/dbraw/zinc/16/13/28/1039161328.db2.gz PRYFZJBTKQNEFI-HOTGVXAUSA-N 1 1 326.415 3.684 20 30 EHEDMO CCOc1cc2c(cc1C[NH2+]Cc1ccc(C#N)cc1F)O[C@@H](C)C2 ZINC000236873192 1039271292 /nfs/dbraw/zinc/27/12/92/1039271292.db2.gz YQBBUQUNBLNRMA-ZDUSSCGKSA-N 1 1 340.398 3.709 20 30 EHEDMO Cc1cccc(C2=CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000552438620 1039285462 /nfs/dbraw/zinc/28/54/62/1039285462.db2.gz DYSFBRVGEGZXGU-DYESRHJHSA-N 1 1 339.483 3.527 20 30 EHEDMO Cc1cccc(C2=CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000552438620 1039285472 /nfs/dbraw/zinc/28/54/72/1039285472.db2.gz DYSFBRVGEGZXGU-DYESRHJHSA-N 1 1 339.483 3.527 20 30 EHEDMO N#Cc1c(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)cn2ccccc12 ZINC000728919231 1039402856 /nfs/dbraw/zinc/40/28/56/1039402856.db2.gz WKEMPYHXONTQEZ-YADHBBJMSA-N 1 1 345.446 3.899 20 30 EHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](O)CCc1ccccc1 ZINC000512517165 1039550371 /nfs/dbraw/zinc/55/03/71/1039550371.db2.gz RGYKDGGQFSNKNQ-OAQYLSRUSA-N 1 1 341.499 3.836 20 30 EHEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@](C)(COC)C2)cc1OC ZINC000628297546 1039661226 /nfs/dbraw/zinc/66/12/26/1039661226.db2.gz BVTRFRZOTSTJQY-GOSISDBHSA-N 1 1 339.863 3.772 20 30 EHEDMO C[C@H](C[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000489206312 1039727100 /nfs/dbraw/zinc/72/71/00/1039727100.db2.gz OJYYLKQBGMMMQP-UTKZUKDTSA-N 1 1 347.462 3.789 20 30 EHEDMO CC(C)(CCC#N)CNc1cc[nH+]c(NCC(C)(C)CCC#N)n1 ZINC000893866512 1039770757 /nfs/dbraw/zinc/77/07/57/1039770757.db2.gz IIDAWBOPOYUVTE-UHFFFAOYSA-N 1 1 328.464 3.960 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000489285999 1039791984 /nfs/dbraw/zinc/79/19/84/1039791984.db2.gz BCPPDPLKBVRTIZ-ZDUSSCGKSA-N 1 1 327.815 3.843 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000489285999 1039791999 /nfs/dbraw/zinc/79/19/99/1039791999.db2.gz BCPPDPLKBVRTIZ-ZDUSSCGKSA-N 1 1 327.815 3.843 20 30 EHEDMO C[C@@H](c1ccccc1)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CCCC1 ZINC000554851314 1039836544 /nfs/dbraw/zinc/83/65/44/1039836544.db2.gz GODCCTOUIMQLMF-KKSFZXQISA-N 1 1 339.483 3.801 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660226835 1039930837 /nfs/dbraw/zinc/93/08/37/1039930837.db2.gz YRZRQARYYANEMD-QGZVFWFLSA-N 1 1 332.488 3.595 20 30 EHEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000489432727 1039970909 /nfs/dbraw/zinc/97/09/09/1039970909.db2.gz GUJOBJZFVIVYSR-GOSISDBHSA-N 1 1 349.478 3.824 20 30 EHEDMO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CC1(C)C ZINC000489496984 1040024678 /nfs/dbraw/zinc/02/46/78/1040024678.db2.gz GHBWGBTWDKMIQK-HNNXBMFYSA-N 1 1 331.485 3.557 20 30 EHEDMO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CC1(C)C ZINC000489496984 1040024698 /nfs/dbraw/zinc/02/46/98/1040024698.db2.gz GHBWGBTWDKMIQK-HNNXBMFYSA-N 1 1 331.485 3.557 20 30 EHEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000489505110 1040048238 /nfs/dbraw/zinc/04/82/38/1040048238.db2.gz BVTIIWVCDHOJNM-CYBMUJFWSA-N 1 1 328.334 3.564 20 30 EHEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000489505110 1040048252 /nfs/dbraw/zinc/04/82/52/1040048252.db2.gz BVTIIWVCDHOJNM-CYBMUJFWSA-N 1 1 328.334 3.564 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894086631 1040053652 /nfs/dbraw/zinc/05/36/52/1040053652.db2.gz YHUFYAGKIDRUJX-QFBILLFUSA-N 1 1 332.407 3.540 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894086631 1040053671 /nfs/dbraw/zinc/05/36/71/1040053671.db2.gz YHUFYAGKIDRUJX-QFBILLFUSA-N 1 1 332.407 3.540 20 30 EHEDMO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000489576367 1040078390 /nfs/dbraw/zinc/07/83/90/1040078390.db2.gz GKYGFDKJQUTRAA-HNNXBMFYSA-N 1 1 340.398 3.509 20 30 EHEDMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000489576367 1040078401 /nfs/dbraw/zinc/07/84/01/1040078401.db2.gz GKYGFDKJQUTRAA-HNNXBMFYSA-N 1 1 340.398 3.509 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C)c2C)c(C#N)c1C ZINC000428727677 1040110279 /nfs/dbraw/zinc/11/02/79/1040110279.db2.gz CMHUDBDFCDECAR-HNNXBMFYSA-N 1 1 339.439 3.844 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C)c2C)c(C#N)c1C ZINC000428727677 1040110286 /nfs/dbraw/zinc/11/02/86/1040110286.db2.gz CMHUDBDFCDECAR-HNNXBMFYSA-N 1 1 339.439 3.844 20 30 EHEDMO C=CCCC[C@H](C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1)c1ccccc1 ZINC000907787829 1040172312 /nfs/dbraw/zinc/17/23/12/1040172312.db2.gz BXXQLHLEDGBXGM-UFYCRDLUSA-N 1 1 344.474 3.771 20 30 EHEDMO CCc1ccc([C@@H](C#N)NC(=O)[C@@H](CC)[N@@H+](C)Cc2ccccc2)cc1 ZINC000489956137 1040255807 /nfs/dbraw/zinc/25/58/07/1040255807.db2.gz NSYFNAOSGDKSJG-NHCUHLMSSA-N 1 1 349.478 3.840 20 30 EHEDMO N#Cc1c(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cn2ccccc12 ZINC000490010098 1040304694 /nfs/dbraw/zinc/30/46/94/1040304694.db2.gz TZJPLQBCMKEUNY-LJQANCHMSA-N 1 1 330.435 3.887 20 30 EHEDMO N#Cc1cnc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000192959061 1040337791 /nfs/dbraw/zinc/33/77/91/1040337791.db2.gz KWZXRPFYWYVSCW-HNNXBMFYSA-N 1 1 326.831 3.541 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000614178476 1040373669 /nfs/dbraw/zinc/37/36/69/1040373669.db2.gz FLJARVCELNBAPZ-KRWDZBQOSA-N 1 1 349.482 3.863 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000614178476 1040373682 /nfs/dbraw/zinc/37/36/82/1040373682.db2.gz FLJARVCELNBAPZ-KRWDZBQOSA-N 1 1 349.482 3.863 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000614178476 1040373699 /nfs/dbraw/zinc/37/36/99/1040373699.db2.gz FLJARVCELNBAPZ-KRWDZBQOSA-N 1 1 349.482 3.863 20 30 EHEDMO CC(C)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)CCS1 ZINC000481135184 1040376815 /nfs/dbraw/zinc/37/68/15/1040376815.db2.gz DMMRWZMRXBLONV-HNNXBMFYSA-N 1 1 339.302 3.894 20 30 EHEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)CCS1 ZINC000481135184 1040376834 /nfs/dbraw/zinc/37/68/34/1040376834.db2.gz DMMRWZMRXBLONV-HNNXBMFYSA-N 1 1 339.302 3.894 20 30 EHEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000490227073 1040410238 /nfs/dbraw/zinc/41/02/38/1040410238.db2.gz KVKQYYSSMINKII-MJGOQNOKSA-N 1 1 336.426 3.961 20 30 EHEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000490227073 1040410243 /nfs/dbraw/zinc/41/02/43/1040410243.db2.gz KVKQYYSSMINKII-MJGOQNOKSA-N 1 1 336.426 3.961 20 30 EHEDMO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1CCC1CCCC1 ZINC000486807918 1040476573 /nfs/dbraw/zinc/47/65/73/1040476573.db2.gz BATJVNBFSOBGDQ-INIZCTEOSA-N 1 1 331.485 3.993 20 30 EHEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000486807918 1040476587 /nfs/dbraw/zinc/47/65/87/1040476587.db2.gz BATJVNBFSOBGDQ-INIZCTEOSA-N 1 1 331.485 3.993 20 30 EHEDMO N#CCCC[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccccc1 ZINC000433021082 1040477038 /nfs/dbraw/zinc/47/70/38/1040477038.db2.gz PTEUQZCIERWJSY-LJQANCHMSA-N 1 1 331.423 3.792 20 30 EHEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000490312459 1040490711 /nfs/dbraw/zinc/49/07/11/1040490711.db2.gz GHZBPDLYAKMNNS-LSDHHAIUSA-N 1 1 348.516 3.790 20 30 EHEDMO C=C(C)C[N@@H+](C)C[C@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000481265707 1040579506 /nfs/dbraw/zinc/57/95/06/1040579506.db2.gz BMKAXVDTCPJVOB-FCHUYYIVSA-N 1 1 339.479 3.970 20 30 EHEDMO C=CCOc1ccc(C(=O)N2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cc1 ZINC000899504486 1040614789 /nfs/dbraw/zinc/61/47/89/1040614789.db2.gz OAFZCQVWTXDJHF-UHFFFAOYSA-N 1 1 339.439 3.611 20 30 EHEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000600105155 1040649009 /nfs/dbraw/zinc/64/90/09/1040649009.db2.gz HWFWGDYYQZZSQA-UHFFFAOYSA-N 1 1 344.462 3.747 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000600105155 1040649021 /nfs/dbraw/zinc/64/90/21/1040649021.db2.gz HWFWGDYYQZZSQA-UHFFFAOYSA-N 1 1 344.462 3.747 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000600105155 1040649037 /nfs/dbraw/zinc/64/90/37/1040649037.db2.gz HWFWGDYYQZZSQA-UHFFFAOYSA-N 1 1 344.462 3.747 20 30 EHEDMO Cc1c(C#N)cccc1NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436360993 1040702105 /nfs/dbraw/zinc/70/21/05/1040702105.db2.gz CHZAKLJDNGRXEN-GOSISDBHSA-N 1 1 340.471 3.785 20 30 EHEDMO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000015037434 1040712081 /nfs/dbraw/zinc/71/20/81/1040712081.db2.gz QBCPYKWQPYYZDU-INIZCTEOSA-N 1 1 345.512 3.742 20 30 EHEDMO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000015037434 1040712094 /nfs/dbraw/zinc/71/20/94/1040712094.db2.gz QBCPYKWQPYYZDU-INIZCTEOSA-N 1 1 345.512 3.742 20 30 EHEDMO Cc1ncc(C[N@@H+]2CCc3c(CC#N)cccc3C2)n1-c1ccccc1 ZINC000600213835 1040827519 /nfs/dbraw/zinc/82/75/19/1040827519.db2.gz ZLABTLGSSDNQKR-UHFFFAOYSA-N 1 1 342.446 3.805 20 30 EHEDMO Cc1ncc(C[N@H+]2CCc3c(CC#N)cccc3C2)n1-c1ccccc1 ZINC000600213835 1040827529 /nfs/dbraw/zinc/82/75/29/1040827529.db2.gz ZLABTLGSSDNQKR-UHFFFAOYSA-N 1 1 342.446 3.805 20 30 EHEDMO C[C@H]1CCCC[N@H+]1CCCNc1c(C#N)cnc2nc(Cl)ccc21 ZINC001167752165 1040830030 /nfs/dbraw/zinc/83/00/30/1040830030.db2.gz SXMHWWVRZAFGRE-ZDUSSCGKSA-N 1 1 343.862 3.831 20 30 EHEDMO Cc1oc(NC(=O)C[N@H+](C)C2CCC(C(C)C)CC2)c(C#N)c1C ZINC000433132694 1040869758 /nfs/dbraw/zinc/86/97/58/1040869758.db2.gz GWDDGLDZWYGFDJ-UHFFFAOYSA-N 1 1 331.460 3.853 20 30 EHEDMO C[C@H]([NH2+]CCCN(C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000192919113 1040936877 /nfs/dbraw/zinc/93/68/77/1040936877.db2.gz HABLAYZWTIPTRK-SFHVURJKSA-N 1 1 337.467 3.762 20 30 EHEDMO C=C(C)[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc(F)c(F)c1 ZINC000481609533 1041134444 /nfs/dbraw/zinc/13/44/44/1041134444.db2.gz NUHNBOUFVLKNQH-IBGZPJMESA-N 1 1 336.426 3.963 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1(C#N)CCCC1 ZINC000044552809 1041134883 /nfs/dbraw/zinc/13/48/83/1041134883.db2.gz PEDMAJJMNZPWPY-QGZVFWFLSA-N 1 1 339.483 3.761 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)C1 ZINC000053749292 1041421283 /nfs/dbraw/zinc/42/12/83/1041421283.db2.gz JCCBGENZSNYFPG-BEFAXECRSA-N 1 1 334.423 3.515 20 30 EHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)NCC#Cc2ccccc2)cc1 ZINC000511726478 1041482192 /nfs/dbraw/zinc/48/21/92/1041482192.db2.gz FWDCPGNWHHMVJE-UHFFFAOYSA-N 1 1 334.463 3.700 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000660784593 1041822192 /nfs/dbraw/zinc/82/21/92/1041822192.db2.gz AROYDYBCSFXNMY-RLLQIKCJSA-N 1 1 341.499 3.790 20 30 EHEDMO C=CC[C@@H]1CC[C@H](Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000651659371 1041859048 /nfs/dbraw/zinc/85/90/48/1041859048.db2.gz CJLYGSIEECXSPF-KPFFTGBYSA-N 1 1 341.499 3.541 20 30 EHEDMO C=CC[N@H+](Cc1nc2cc(C(F)(F)F)ccc2o1)[C@H](C)COC ZINC000661242159 1042023188 /nfs/dbraw/zinc/02/31/88/1042023188.db2.gz HTWWNGJKUFZGMY-LLVKDONJSA-N 1 1 328.334 3.870 20 30 EHEDMO C=CC[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2o1)[C@H](C)COC ZINC000661242159 1042023195 /nfs/dbraw/zinc/02/31/95/1042023195.db2.gz HTWWNGJKUFZGMY-LLVKDONJSA-N 1 1 328.334 3.870 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(OCc2ccncc2)cc1)[C@H](C)COC ZINC000661243780 1042024942 /nfs/dbraw/zinc/02/49/42/1042024942.db2.gz NEQCRRJOMZVNIP-QGZVFWFLSA-N 1 1 326.440 3.684 20 30 EHEDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000093280309 1042137611 /nfs/dbraw/zinc/13/76/11/1042137611.db2.gz BLDUDWABNDDOIR-MRXNPFEDSA-N 1 1 333.859 3.603 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(Br)cc1C ZINC000662086754 1042503328 /nfs/dbraw/zinc/50/33/28/1042503328.db2.gz XBVDSMVQFQOZMH-GASCZTMLSA-N 1 1 349.272 3.879 20 30 EHEDMO C[N@@H+](CC(C)(C)CCC#N)[C@H](CO)c1cccc(Br)c1 ZINC000093815689 1042542944 /nfs/dbraw/zinc/54/29/44/1042542944.db2.gz HYEUAMMFXARQNF-OAHLLOKOSA-N 1 1 339.277 3.744 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000093872443 1042565481 /nfs/dbraw/zinc/56/54/81/1042565481.db2.gz IWVZQGKOJWCIFB-SFTDATJTSA-N 1 1 343.434 3.539 20 30 EHEDMO N#Cc1ccc(F)cc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000382264633 1042649480 /nfs/dbraw/zinc/64/94/80/1042649480.db2.gz OEOOBVQWHJCJKS-CTNGQTDRSA-N 1 1 349.453 3.651 20 30 EHEDMO C#Cc1ccc(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)nc1 ZINC000728859924 1042718543 /nfs/dbraw/zinc/71/85/43/1042718543.db2.gz HOOLQFDSBDZYGZ-UHFFFAOYSA-N 1 1 344.418 3.683 20 30 EHEDMO CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000343915612 1042820292 /nfs/dbraw/zinc/82/02/92/1042820292.db2.gz XAEUCHNNHWBBKV-ZWKOTPCHSA-N 1 1 327.472 3.834 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000303915947 1042947855 /nfs/dbraw/zinc/94/78/55/1042947855.db2.gz NSZVUCGQRSVVHJ-MJGOQNOKSA-N 1 1 327.472 3.530 20 30 EHEDMO C=CC[C@H](C)NC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000604896351 1042998348 /nfs/dbraw/zinc/99/83/48/1042998348.db2.gz LDZGIQAWJQVGBC-KSZLIROESA-N 1 1 343.515 3.928 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](C2CC2)C1 ZINC000344012516 1043100344 /nfs/dbraw/zinc/10/03/44/1043100344.db2.gz UNFKSGHRDJOJFU-ZBFHGGJFSA-N 1 1 343.496 3.751 20 30 EHEDMO C[N@@H+](Cc1cccs1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279355010 1043992997 /nfs/dbraw/zinc/99/29/97/1043992997.db2.gz GQSNFVIDWPFHGX-UHFFFAOYSA-N 1 1 337.452 3.552 20 30 EHEDMO C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1(C)C ZINC000279407748 1044050578 /nfs/dbraw/zinc/05/05/78/1044050578.db2.gz NJNLYQOBQROFKO-MRXNPFEDSA-N 1 1 337.471 3.727 20 30 EHEDMO C=C(C)COc1cc(CNc2[nH+]c(C)ccc2OC)ccc1OC ZINC000344876287 1044629457 /nfs/dbraw/zinc/62/94/57/1044629457.db2.gz IOGOYLRFHMWECK-UHFFFAOYSA-N 1 1 328.412 3.974 20 30 EHEDMO N#Cc1cc(C[NH2+]Cc2ccc(F)cc2Br)cs1 ZINC001202083662 1136091642 /nfs/dbraw/zinc/09/16/42/1136091642.db2.gz IEMGZGZTJCYNIV-UHFFFAOYSA-N 1 1 325.206 3.811 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1 ZINC000076153537 1125543437 /nfs/dbraw/zinc/54/34/37/1125543437.db2.gz JZXJMQNNYMRXGX-UXHICEINSA-N 1 1 333.435 3.787 20 30 EHEDMO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000076152625 1125554289 /nfs/dbraw/zinc/55/42/89/1125554289.db2.gz BEVPAXPWPXJZHG-PMACEKPBSA-N 1 1 334.419 3.745 20 30 EHEDMO COC(=O)c1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000076152625 1125554297 /nfs/dbraw/zinc/55/42/97/1125554297.db2.gz BEVPAXPWPXJZHG-PMACEKPBSA-N 1 1 334.419 3.745 20 30 EHEDMO C[C@H](C(=O)N[C@H](CCC#N)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000153644678 1125642550 /nfs/dbraw/zinc/64/25/50/1125642550.db2.gz UTYMJFPNTKANIN-DYESRHJHSA-N 1 1 347.462 3.594 20 30 EHEDMO C[C@H](C(=O)N[C@H](CCC#N)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000153644678 1125642553 /nfs/dbraw/zinc/64/25/53/1125642553.db2.gz UTYMJFPNTKANIN-DYESRHJHSA-N 1 1 347.462 3.594 20 30 EHEDMO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)N(C)CCC#N ZINC000154408644 1125717630 /nfs/dbraw/zinc/71/76/30/1125717630.db2.gz WJZZOPMLBNYCRE-GFCCVEGCSA-N 1 1 342.270 3.576 20 30 EHEDMO CCCC[N@@H+](C)CCNC(=O)c1ccccc1-c1ccccc1C#N ZINC000112310357 1126795962 /nfs/dbraw/zinc/79/59/62/1126795962.db2.gz CFUNJVQZQNKDJT-UHFFFAOYSA-N 1 1 335.451 3.687 20 30 EHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@H]2C)c1C#N ZINC000072874404 1126910046 /nfs/dbraw/zinc/91/00/46/1126910046.db2.gz BRMYUCKNZHRGNH-CYBMUJFWSA-N 1 1 328.460 3.515 20 30 EHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@H]2C)c1C#N ZINC000072874404 1126910048 /nfs/dbraw/zinc/91/00/48/1126910048.db2.gz BRMYUCKNZHRGNH-CYBMUJFWSA-N 1 1 328.460 3.515 20 30 EHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2csc(C3CC3)n2)c1 ZINC000073011837 1126975479 /nfs/dbraw/zinc/97/54/79/1126975479.db2.gz COLVZFPONYWGEQ-INIZCTEOSA-N 1 1 327.453 3.991 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NNCc1ccc(Cl)cc1 ZINC000764719530 1127525773 /nfs/dbraw/zinc/52/57/73/1127525773.db2.gz ZKAOWQAMKZNJHO-OAHLLOKOSA-N 1 1 342.874 3.723 20 30 EHEDMO CC[C@H]1C[N@@H+](C)CCN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000552400392 1127754245 /nfs/dbraw/zinc/75/42/45/1127754245.db2.gz LMEXQYPTXNNPQN-NRFANRHFSA-N 1 1 349.478 3.663 20 30 EHEDMO CC[C@H]1CN(C)CC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000552400392 1127754250 /nfs/dbraw/zinc/75/42/50/1127754250.db2.gz LMEXQYPTXNNPQN-NRFANRHFSA-N 1 1 349.478 3.663 20 30 EHEDMO N#Cc1cc(C[NH2+][C@@H]2CCOc3ccc(Br)cc32)cs1 ZINC000921583755 1127757139 /nfs/dbraw/zinc/75/71/39/1127757139.db2.gz ZWQFZIYMTFADMH-CQSZACIVSA-N 1 1 349.253 3.996 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)cc1)C1CC1 ZINC000338577193 1127851910 /nfs/dbraw/zinc/85/19/10/1127851910.db2.gz MCIRFZFIELJKQO-IBGZPJMESA-N 1 1 348.450 3.568 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000123352072 1128472755 /nfs/dbraw/zinc/47/27/55/1128472755.db2.gz UALYSUOSJKQJKV-BETUJISGSA-N 1 1 331.485 3.700 20 30 EHEDMO Cc1nnc(NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c(C#N)c1C ZINC000301127228 1128574368 /nfs/dbraw/zinc/57/43/68/1128574368.db2.gz WZRRYQPPRHREJO-OAHLLOKOSA-N 1 1 349.482 3.952 20 30 EHEDMO C[C@H](CNc1nc(C(F)(F)F)ccc1C#N)[N@H+]1CCC[C@H](C)C1 ZINC000301279668 1128581442 /nfs/dbraw/zinc/58/14/42/1128581442.db2.gz JTKWBKMLSRSFGP-NWDGAFQWSA-N 1 1 326.366 3.504 20 30 EHEDMO N#Cc1cc(N2CC[NH+](Cc3cccc(F)c3)CC2)c2ccccc2n1 ZINC000301715739 1128603039 /nfs/dbraw/zinc/60/30/39/1128603039.db2.gz MVLSWOMZPXXRJI-UHFFFAOYSA-N 1 1 346.409 3.568 20 30 EHEDMO C[N@@H+]1CC[C@@H](Nc2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301852429 1128608673 /nfs/dbraw/zinc/60/86/73/1128608673.db2.gz PYLGTZGHQRXSGH-NVXWUHKLSA-N 1 1 330.794 3.603 20 30 EHEDMO C[N@H+]1CC[C@@H](Nc2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301852429 1128608675 /nfs/dbraw/zinc/60/86/75/1128608675.db2.gz PYLGTZGHQRXSGH-NVXWUHKLSA-N 1 1 330.794 3.603 20 30 EHEDMO C[N@H+]1CC[C@H](Nc2ccc(Cl)c(C#N)n2)[C@H]1c1ccc(F)cc1 ZINC000301876656 1128609795 /nfs/dbraw/zinc/60/97/95/1128609795.db2.gz YLYPQWCPHLUFGW-WMLDXEAASA-N 1 1 330.794 3.603 20 30 EHEDMO C=C(Cl)COc1ccc([C@H](C)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000765875263 1128630903 /nfs/dbraw/zinc/63/09/03/1128630903.db2.gz YVLQSVLBDGQHCJ-YJBOKZPZSA-N 1 1 334.891 3.953 20 30 EHEDMO C=C(Cl)COc1ccc([C@H](C)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000765875263 1128630905 /nfs/dbraw/zinc/63/09/05/1128630905.db2.gz YVLQSVLBDGQHCJ-YJBOKZPZSA-N 1 1 334.891 3.953 20 30 EHEDMO N#Cc1cc(Br)ccc1NCCc1cn2c([nH+]1)CCCC2 ZINC000302681019 1128641803 /nfs/dbraw/zinc/64/18/03/1128641803.db2.gz RVVCALSKUSXEFF-UHFFFAOYSA-N 1 1 345.244 3.508 20 30 EHEDMO N#Cc1ccc(OCC[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000302741735 1128645846 /nfs/dbraw/zinc/64/58/46/1128645846.db2.gz REJLUNPFKNIOEA-SFHVURJKSA-N 1 1 342.464 3.680 20 30 EHEDMO C[C@H]1C[C@H](Nc2c(C#N)cccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000302885873 1128653301 /nfs/dbraw/zinc/65/33/01/1128653301.db2.gz MQLKNPNNORMNQX-OXJNMPFZSA-N 1 1 330.435 3.895 20 30 EHEDMO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000359868457 1128671752 /nfs/dbraw/zinc/67/17/52/1128671752.db2.gz HTJHOXAAPPZNOY-KBXCAEBGSA-N 1 1 345.406 3.586 20 30 EHEDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000359868457 1128671753 /nfs/dbraw/zinc/67/17/53/1128671753.db2.gz HTJHOXAAPPZNOY-KBXCAEBGSA-N 1 1 345.406 3.586 20 30 EHEDMO Cc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)o1 ZINC000303757009 1128693650 /nfs/dbraw/zinc/69/36/50/1128693650.db2.gz NINIWJQINIBACQ-QGZVFWFLSA-N 1 1 343.471 3.848 20 30 EHEDMO Cc1ccc([C@H]2CCCCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)o1 ZINC000303757009 1128693651 /nfs/dbraw/zinc/69/36/51/1128693651.db2.gz NINIWJQINIBACQ-QGZVFWFLSA-N 1 1 343.471 3.848 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000303829363 1128699631 /nfs/dbraw/zinc/69/96/31/1128699631.db2.gz LHCQAINDSLPEJF-GOSISDBHSA-N 1 1 340.398 3.922 20 30 EHEDMO N#CC1(C[NH2+]Cc2cc(Br)cc3c2OCC3)CCCC1 ZINC000405109441 1128709997 /nfs/dbraw/zinc/70/99/97/1128709997.db2.gz AAKBPZBVXMAMGR-UHFFFAOYSA-N 1 1 335.245 3.558 20 30 EHEDMO COc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1C#N ZINC000130888139 1128766428 /nfs/dbraw/zinc/76/64/28/1128766428.db2.gz XHLTUUHBLCAXDK-UHFFFAOYSA-N 1 1 337.379 3.640 20 30 EHEDMO Cc1ccc(C[NH2+]Cc2csc(C#N)c2)c(OC[C@@H]2CCCO2)c1 ZINC000921834927 1128798046 /nfs/dbraw/zinc/79/80/46/1128798046.db2.gz ZDQLFCKMFVAPFA-KRWDZBQOSA-N 1 1 342.464 3.776 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC001670472714 1120077368 /nfs/dbraw/zinc/07/73/68/1120077368.db2.gz FYISFKNZYHSHGK-UHFFFAOYSA-N 1 1 326.425 3.924 20 30 EHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000076067177 1128901280 /nfs/dbraw/zinc/90/12/80/1128901280.db2.gz SYCUFKUMXBRYPW-HOTGVXAUSA-N 1 1 342.468 3.714 20 30 EHEDMO C=CC(C)(C)CCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001687384028 1120244026 /nfs/dbraw/zinc/24/40/26/1120244026.db2.gz JMAVSVLTASUVEJ-LJQANCHMSA-N 1 1 343.515 3.861 20 30 EHEDMO CC(C)(C#N)CCC[N@@H+]1CCOc2cc(Br)ccc2C1 ZINC000595877194 1120362248 /nfs/dbraw/zinc/36/22/48/1120362248.db2.gz PJKCGZUSFGJCSZ-UHFFFAOYSA-N 1 1 337.261 3.973 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1CCOc2cc(Br)ccc2C1 ZINC000595877194 1120362255 /nfs/dbraw/zinc/36/22/55/1120362255.db2.gz PJKCGZUSFGJCSZ-UHFFFAOYSA-N 1 1 337.261 3.973 20 30 EHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000613373885 1120512045 /nfs/dbraw/zinc/51/20/45/1120512045.db2.gz ZWTFSVQYSIYOQS-FUHWJXTLSA-N 1 1 343.442 3.987 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2cc(Cl)cs2)CC1 ZINC000494935515 1120911011 /nfs/dbraw/zinc/91/10/11/1120911011.db2.gz XTBDCWIQLULUDM-UHFFFAOYSA-N 1 1 331.872 3.985 20 30 EHEDMO Cc1[nH+]c(C=NNC(=S)Nc2ccc(C)cc2C)c2ccccn12 ZINC000914600926 1120921475 /nfs/dbraw/zinc/92/14/75/1120921475.db2.gz CSUIKICGWSYNKI-UHFFFAOYSA-N 1 1 337.452 3.580 20 30 EHEDMO C=CCN(Cc1ccccc1F)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000303926669 1121194984 /nfs/dbraw/zinc/19/49/84/1121194984.db2.gz WREWNRSGALVFPG-GOSISDBHSA-N 1 1 347.478 3.788 20 30 EHEDMO C=CCOc1cccc(C[NH2+][C@@H](CC)c2nnc3n2CCCCC3)c1 ZINC001649015535 1121449053 /nfs/dbraw/zinc/44/90/53/1121449053.db2.gz RIMXDUWBXREWOH-SFHVURJKSA-N 1 1 340.471 3.810 20 30 EHEDMO C=C(C)COc1cc(CNC[C@@H]2CCCC[N@H+]2CC)ccc1OC ZINC000236828923 1121464330 /nfs/dbraw/zinc/46/43/30/1121464330.db2.gz NKCVAUWTLIHQLE-SFHVURJKSA-N 1 1 332.488 3.614 20 30 EHEDMO C=C(C)COc1cc(CNC[C@@H]2CCCC[N@@H+]2CC)ccc1OC ZINC000236828923 1121464336 /nfs/dbraw/zinc/46/43/36/1121464336.db2.gz NKCVAUWTLIHQLE-SFHVURJKSA-N 1 1 332.488 3.614 20 30 EHEDMO C=CCn1c(SCc2[nH]c(C)[nH+]c2C)nnc1-c1ccoc1C ZINC000915826801 1121673558 /nfs/dbraw/zinc/67/35/58/1121673558.db2.gz CVRTXHVCVDXTIW-UHFFFAOYSA-N 1 1 329.429 3.665 20 30 EHEDMO Cc1ccc(CNC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)cc1C#N ZINC001649025969 1121852140 /nfs/dbraw/zinc/85/21/40/1121852140.db2.gz IXWUFUQCXLEHEA-HXUWFJFHSA-N 1 1 347.462 3.606 20 30 EHEDMO CN(c1ccccc1C=NOCc1ccccc1)C1CC[NH+](C)CC1 ZINC000915960172 1121993609 /nfs/dbraw/zinc/99/36/09/1121993609.db2.gz STEVNXZDQNSMDI-UHFFFAOYSA-N 1 1 337.467 3.768 20 30 EHEDMO CC[N@@H+](CCNC(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)C ZINC000077466319 1129033128 /nfs/dbraw/zinc/03/31/28/1129033128.db2.gz OHFBRLVVOCCGMK-OAHLLOKOSA-N 1 1 348.516 3.790 20 30 EHEDMO Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000763409995 1122229920 /nfs/dbraw/zinc/22/99/20/1122229920.db2.gz WHQXXFOVQAFHPY-RBBKRZOGSA-N 1 1 334.463 3.855 20 30 EHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763408927 1122230512 /nfs/dbraw/zinc/23/05/12/1122230512.db2.gz QKZSWGOARRXMKY-OAQYLSRUSA-N 1 1 333.435 3.622 20 30 EHEDMO C[C@@H]1CCC[C@@H]([N@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000917100599 1122500032 /nfs/dbraw/zinc/50/00/32/1122500032.db2.gz SHHPFVQKIKCGBH-KFWWJZLASA-N 1 1 341.480 3.983 20 30 EHEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000917100599 1122500034 /nfs/dbraw/zinc/50/00/34/1122500034.db2.gz SHHPFVQKIKCGBH-KFWWJZLASA-N 1 1 341.480 3.983 20 30 EHEDMO C=CC[N@H+](CC(=O)Nc1ccc(Br)c(C)c1)C(C)C ZINC000917167169 1122543012 /nfs/dbraw/zinc/54/30/12/1122543012.db2.gz YJTMWLGDSHYKJU-UHFFFAOYSA-N 1 1 325.250 3.592 20 30 EHEDMO C=CC[N@@H+](CC(=O)Nc1ccc(Br)c(C)c1)C(C)C ZINC000917167169 1122543017 /nfs/dbraw/zinc/54/30/17/1122543017.db2.gz YJTMWLGDSHYKJU-UHFFFAOYSA-N 1 1 325.250 3.592 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C)cc1C ZINC000497605632 1122607172 /nfs/dbraw/zinc/60/71/72/1122607172.db2.gz NAKMNPCHWSEORO-HXUWFJFHSA-N 1 1 325.452 3.731 20 30 EHEDMO CC[N@@H+](CC(=O)NCC1CCCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000497621101 1122607848 /nfs/dbraw/zinc/60/78/48/1122607848.db2.gz SCZQCNYGEOMGKE-MRXNPFEDSA-N 1 1 327.472 3.638 20 30 EHEDMO CC#CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)CC ZINC000130213085 1122914589 /nfs/dbraw/zinc/91/45/89/1122914589.db2.gz PQZQHBBKSMQSMV-CYBMUJFWSA-N 1 1 326.362 3.768 20 30 EHEDMO CC#CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)CC ZINC000130213085 1122914592 /nfs/dbraw/zinc/91/45/92/1122914592.db2.gz PQZQHBBKSMQSMV-CYBMUJFWSA-N 1 1 326.362 3.768 20 30 EHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)cc1 ZINC000170734843 1122959014 /nfs/dbraw/zinc/95/90/14/1122959014.db2.gz OEVHGJNASODQBQ-QGZVFWFLSA-N 1 1 347.462 3.703 20 30 EHEDMO COc1cc2c(c(C[NH2+]C3(c4cccc(C#N)c4)CC3)c1)O[C@H](C)C2 ZINC000556406729 1122966977 /nfs/dbraw/zinc/96/69/77/1122966977.db2.gz CQHKMXDSMGQSHI-CQSZACIVSA-N 1 1 334.419 3.669 20 30 EHEDMO COc1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccc(C#N)cn1 ZINC000780555705 1123149303 /nfs/dbraw/zinc/14/93/03/1123149303.db2.gz JOQUPBIPCWXJRF-UHFFFAOYSA-N 1 1 329.403 3.919 20 30 EHEDMO CN(C(=O)C1(C#N)CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074808385 1123332260 /nfs/dbraw/zinc/33/22/60/1123332260.db2.gz WXCSUGUURBVPME-LJQANCHMSA-N 1 1 339.483 3.583 20 30 EHEDMO COc1cccc(O)c1/C=N\C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000921260969 1123500906 /nfs/dbraw/zinc/50/09/06/1123500906.db2.gz JAXZJLXOGVUVFD-GFHXCNCHSA-N 1 1 338.451 3.732 20 30 EHEDMO C[C@H]1C[C@H](NC(=O)Nc2cccc(C#Cc3ccccc3)c2)CC[N@H+]1C ZINC000466036211 1129126733 /nfs/dbraw/zinc/12/67/33/1129126733.db2.gz OJPNJRDGGIDFIW-LAUBAEHRSA-N 1 1 347.462 3.691 20 30 EHEDMO CCC[N@@H+](CCOCc1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC000609385047 1123567549 /nfs/dbraw/zinc/56/75/49/1123567549.db2.gz JKPREBFHEZFMOB-UHFFFAOYSA-N 1 1 338.451 3.996 20 30 EHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCC2(CCCCC2)C1 ZINC000609541350 1123607416 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C=CCC[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617000336 1124069263 /nfs/dbraw/zinc/06/92/63/1124069263.db2.gz YECGXLTUIXHCGE-PKOBYXMFSA-N 1 1 328.500 3.973 20 30 EHEDMO N#CC(CC[N@@H+]1CCC[C@H](CCO)C1)(c1ccccc1)c1ccccc1 ZINC000618279926 1125042063 /nfs/dbraw/zinc/04/20/63/1125042063.db2.gz DBBLNGUQBJJAIQ-HXUWFJFHSA-N 1 1 348.490 3.981 20 30 EHEDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)C1(C)C ZINC000763565794 1125334884 /nfs/dbraw/zinc/33/48/84/1125334884.db2.gz JABRHEYJMGQXNW-GBESFXJTSA-N 1 1 330.472 3.507 20 30 EHEDMO N#C[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000619784647 1125404310 /nfs/dbraw/zinc/40/43/10/1125404310.db2.gz HTVMTCGZBBITPA-LJQANCHMSA-N 1 1 325.843 3.722 20 30 EHEDMO C[C@@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1Cl ZINC000114745870 1129189258 /nfs/dbraw/zinc/18/92/58/1129189258.db2.gz ANBPBAASHKTXSM-ACJLOTCBSA-N 1 1 339.826 3.668 20 30 EHEDMO CC(N=Nc1ccc(F)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735609455 1131362745 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EHEDMO C#CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC001198104027 1135776275 /nfs/dbraw/zinc/77/62/75/1135776275.db2.gz LQTJHYPTBAVGSM-FQEVSTJZSA-N 1 1 345.402 3.979 20 30 EHEDMO C#CC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC001198104027 1135776277 /nfs/dbraw/zinc/77/62/77/1135776277.db2.gz LQTJHYPTBAVGSM-FQEVSTJZSA-N 1 1 345.402 3.979 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[N@H+](CCCCC2(C#N)CCC2)[C@@H]2C[C@@H]21 ZINC001198389518 1135808678 /nfs/dbraw/zinc/80/86/78/1135808678.db2.gz VGCQFIIPSKOTCR-CVEARBPZSA-N 1 1 333.476 3.544 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[N@@H+](CCCCC2(C#N)CCC2)[C@@H]2C[C@@H]21 ZINC001198389518 1135808684 /nfs/dbraw/zinc/80/86/84/1135808684.db2.gz VGCQFIIPSKOTCR-CVEARBPZSA-N 1 1 333.476 3.544 20 30 EHEDMO C=CCC[C@H]1CCC[N@@H+]1CC(=O)NCCOc1ccc(C(C)C)cc1 ZINC001198406083 1135810916 /nfs/dbraw/zinc/81/09/16/1135810916.db2.gz FWFUWYFIMJRMKA-IBGZPJMESA-N 1 1 344.499 3.736 20 30 EHEDMO C=CCCC[N@H+](CC)[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC001198458411 1135816931 /nfs/dbraw/zinc/81/69/31/1135816931.db2.gz RUHCNWSZJYSOCU-HNNXBMFYSA-N 1 1 345.512 3.931 20 30 EHEDMO C=CCCC[N@H+](CC)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC001198457605 1135817507 /nfs/dbraw/zinc/81/75/07/1135817507.db2.gz DNXYAGIEYJXEJI-UHFFFAOYSA-N 1 1 327.472 3.838 20 30 EHEDMO C#CC[NH+]1CCC(c2nc([C@H](c3cccc(C)c3)C(C)C)no2)CC1 ZINC000809510501 1135846876 /nfs/dbraw/zinc/84/68/76/1135846876.db2.gz CTZCAOKIUDBSNE-IBGZPJMESA-N 1 1 337.467 3.979 20 30 EHEDMO C#CC[N@H+](Cc1ccc(COCCOC)cc1)[C@H]1CCc2ccccc21 ZINC000809539239 1135848806 /nfs/dbraw/zinc/84/88/06/1135848806.db2.gz NSIZTIVYIQZXEG-QHCPKHFHSA-N 1 1 349.474 3.972 20 30 EHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000809717814 1135877736 /nfs/dbraw/zinc/87/77/36/1135877736.db2.gz BGUXHEJOPMCREQ-QGZVFWFLSA-N 1 1 335.492 3.840 20 30 EHEDMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000809723300 1135878706 /nfs/dbraw/zinc/87/87/06/1135878706.db2.gz FWJDTSMWOYBZBQ-OAHLLOKOSA-N 1 1 349.500 3.889 20 30 EHEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC000809758194 1135887792 /nfs/dbraw/zinc/88/77/92/1135887792.db2.gz GGJYASOOWIFPGP-UXHICEINSA-N 1 1 327.468 3.727 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000809974838 1135907327 /nfs/dbraw/zinc/90/73/27/1135907327.db2.gz MQRLJPGBSVHAGH-ZWOKBUDYSA-N 1 1 349.519 3.943 20 30 EHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Br)nc1 ZINC000810216735 1135938905 /nfs/dbraw/zinc/93/89/05/1135938905.db2.gz NJDVVTJDASJHTA-JTQLQIEISA-N 1 1 334.192 3.706 20 30 EHEDMO C=C(C)COc1cc(C[NH2+]CC(=C)Br)ccc1OC ZINC000105453466 1135947789 /nfs/dbraw/zinc/94/77/89/1135947789.db2.gz PIGTUFALMSKVRB-UHFFFAOYSA-N 1 1 326.234 3.648 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000810370181 1135958008 /nfs/dbraw/zinc/95/80/08/1135958008.db2.gz CBSBWOAQPSWLOC-ZNMIVQPWSA-N 1 1 331.485 3.750 20 30 EHEDMO C[N@@H+](CC#Cc1ccc(F)cc1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000747619544 1135983753 /nfs/dbraw/zinc/98/37/53/1135983753.db2.gz NKYAKASFMRYOBB-UHFFFAOYSA-N 1 1 348.462 3.660 20 30 EHEDMO N#Cc1ccc(O)c(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001201477022 1136032600 /nfs/dbraw/zinc/03/26/00/1136032600.db2.gz AOIBJRWUUWDRJW-MOPGFXCFSA-N 1 1 331.419 3.997 20 30 EHEDMO C=CCC[C@@H]([NH2+]Cc1cn(Cc2cccnc2)nn1)c1ccccc1 ZINC001201557424 1136040229 /nfs/dbraw/zinc/04/02/29/1136040229.db2.gz HXSXVSWARMGYIX-HXUWFJFHSA-N 1 1 333.439 3.519 20 30 EHEDMO N#CCc1ccc(COC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000776213405 1136062932 /nfs/dbraw/zinc/06/29/32/1136062932.db2.gz BMBYSJHVKADIOU-NRFANRHFSA-N 1 1 348.446 3.708 20 30 EHEDMO CCCCCCCC[N@H+]1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001201814973 1136065091 /nfs/dbraw/zinc/06/50/91/1136065091.db2.gz VANQYLCSLGBWSG-RBUKOAKNSA-N 1 1 329.488 3.617 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001201777580 1136066351 /nfs/dbraw/zinc/06/63/51/1136066351.db2.gz ZOFVTDQCITZYFE-LPHOPBHVSA-N 1 1 336.451 3.803 20 30 EHEDMO CCCCCCCCCC[N@H+]1CC[C@@H]2OCCN(C(C)=O)[C@H]2CC1 ZINC001201852892 1136066868 /nfs/dbraw/zinc/06/68/68/1136066868.db2.gz QUZLMDVVVOWBJK-PMACEKPBSA-N 1 1 338.536 3.839 20 30 EHEDMO CCCCCCCCC[N@@H+]1CCn2c(Cn3cccn3)cnc2C1 ZINC001201838697 1136069241 /nfs/dbraw/zinc/06/92/41/1136069241.db2.gz DHKVJQRCXAJYEU-UHFFFAOYSA-N 1 1 329.492 3.694 20 30 EHEDMO CCCCCCCCC[N@H+]1CCn2c(Cn3cccn3)cnc2C1 ZINC001201838697 1136069247 /nfs/dbraw/zinc/06/92/47/1136069247.db2.gz DHKVJQRCXAJYEU-UHFFFAOYSA-N 1 1 329.492 3.694 20 30 EHEDMO CCCCCCCCC[N@@H+]1C[C@H]2CN(C(=O)c3cccnc3)C[C@H]2C1 ZINC001201846831 1136070647 /nfs/dbraw/zinc/07/06/47/1136070647.db2.gz MUOGMDCPGLXPRH-BGYRXZFFSA-N 1 1 343.515 3.836 20 30 EHEDMO Cc1cc(CNC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)ccc1C#N ZINC001202101222 1136094179 /nfs/dbraw/zinc/09/41/79/1136094179.db2.gz GAYRGWAAIHWEHU-JOCHJYFZSA-N 1 1 333.479 3.867 20 30 EHEDMO Cc1cc(CNC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC001202101222 1136094182 /nfs/dbraw/zinc/09/41/82/1136094182.db2.gz GAYRGWAAIHWEHU-JOCHJYFZSA-N 1 1 333.479 3.867 20 30 EHEDMO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850372998 1136244225 /nfs/dbraw/zinc/24/42/25/1136244225.db2.gz CDSRWNZTVKCUOB-MSOLQXFVSA-N 1 1 327.811 3.620 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1ccc(OCC=C)c(OC)c1)c1ccc(F)cc1 ZINC000812793614 1136251506 /nfs/dbraw/zinc/25/15/06/1136251506.db2.gz ZQKBMFDVGASNNA-GOSISDBHSA-N 1 1 325.383 3.863 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(F)cc1 ZINC000812795404 1136251697 /nfs/dbraw/zinc/25/16/97/1136251697.db2.gz VVBHHYSKELNJKG-MRXNPFEDSA-N 1 1 331.774 3.714 20 30 EHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)OCc2cccnc2C#N)cc1 ZINC000813161770 1136296156 /nfs/dbraw/zinc/29/61/56/1136296156.db2.gz QCDVRQSGLABCKF-UHFFFAOYSA-N 1 1 337.423 3.542 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cnn(CC(F)F)c2)cc1 ZINC000814190686 1136415669 /nfs/dbraw/zinc/41/56/69/1136415669.db2.gz UXZYJOXAJPRSQS-FARCUNLSSA-N 1 1 342.349 3.538 20 30 EHEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852472849 1136458490 /nfs/dbraw/zinc/45/84/90/1136458490.db2.gz GXHMSHHQYVNLPB-HUUCEWRRSA-N 1 1 332.410 3.608 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1C[C@@H]3[C@H](C1)C3(C)C)[C@@H]2CC ZINC001170752551 1136477741 /nfs/dbraw/zinc/47/77/41/1136477741.db2.gz KDNICCYBLYNOLS-KSZKVXGTSA-N 1 1 330.516 3.843 20 30 EHEDMO C[C@@H](CNCc1cccc(OCCCC#N)c1)[N@@H+]1CCCC[C@@H]1C ZINC000338955091 1136513260 /nfs/dbraw/zinc/51/32/60/1136513260.db2.gz DGABHNYUZJPNDM-ROUUACIJSA-N 1 1 329.488 3.722 20 30 EHEDMO C[C@@H](CNCc1cccc(OCCCC#N)c1)[N@H+]1CCCC[C@@H]1C ZINC000338955091 1136513261 /nfs/dbraw/zinc/51/32/61/1136513261.db2.gz DGABHNYUZJPNDM-ROUUACIJSA-N 1 1 329.488 3.722 20 30 EHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@H]1CC2(CO1)CCCCC2 ZINC001170769387 1136516693 /nfs/dbraw/zinc/51/66/93/1136516693.db2.gz QGXDXTKGMRUWRL-HXUWFJFHSA-N 1 1 342.483 3.746 20 30 EHEDMO CSc1ccc(N[NH+]=Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000853353552 1136527269 /nfs/dbraw/zinc/52/72/69/1136527269.db2.gz FHXZQHLUGIXJQJ-UHFFFAOYSA-N 1 1 341.480 3.816 20 30 EHEDMO C#Cc1cccnc1N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000853449327 1136533244 /nfs/dbraw/zinc/53/32/44/1136533244.db2.gz QEJXFOSPXALDCP-NHCUHLMSSA-N 1 1 331.463 3.554 20 30 EHEDMO C=CCC(F)(F)C(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000815086656 1136549687 /nfs/dbraw/zinc/54/96/87/1136549687.db2.gz NDSUUURAITUXGF-RDJZCZTQSA-N 1 1 336.426 3.882 20 30 EHEDMO C#CCC(C)(C)C(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000855469873 1136698947 /nfs/dbraw/zinc/69/89/47/1136698947.db2.gz VLIQXXJBTYRKMZ-UHFFFAOYSA-N 1 1 341.480 3.879 20 30 EHEDMO Cc1oc(C#N)cc1C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000816451870 1136721980 /nfs/dbraw/zinc/72/19/80/1136721980.db2.gz SQBDXXAIPRJTBU-KUHUBIRLSA-N 1 1 338.407 3.527 20 30 EHEDMO C[N@H+]1CCC[C@H](c2cccc(C(=O)NCC3(C#N)CCCCC3)c2)C1 ZINC000857328128 1136863432 /nfs/dbraw/zinc/86/34/32/1136863432.db2.gz PUEPPXVEQSBVFS-IBGZPJMESA-N 1 1 339.483 3.700 20 30 EHEDMO CCCCCCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000780762526 1136889789 /nfs/dbraw/zinc/88/97/89/1136889789.db2.gz KAWSRNLVSNGLRE-KRWDZBQOSA-N 1 1 330.432 3.978 20 30 EHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858011043 1136929552 /nfs/dbraw/zinc/92/95/52/1136929552.db2.gz PPYRQFCGRZULGO-FQEVSTJZSA-N 1 1 333.435 3.874 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858046590 1136935228 /nfs/dbraw/zinc/93/52/28/1136935228.db2.gz CENPHJCLESRKKJ-HXUWFJFHSA-N 1 1 333.435 3.792 20 30 EHEDMO N#CCc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858048095 1136935637 /nfs/dbraw/zinc/93/56/37/1136935637.db2.gz OVZNSGPNRRCMNF-FQEVSTJZSA-N 1 1 333.435 3.678 20 30 EHEDMO C#C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000820565766 1136997821 /nfs/dbraw/zinc/99/78/21/1136997821.db2.gz VFFPEULRYMFNBT-WBAXXEDZSA-N 1 1 347.890 3.529 20 30 EHEDMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1C#N ZINC000859195620 1137007090 /nfs/dbraw/zinc/00/70/90/1137007090.db2.gz SGXGYVLGPKRDCC-QAPCUYQASA-N 1 1 343.471 3.602 20 30 EHEDMO N#CCCOCC[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000339018449 1137011401 /nfs/dbraw/zinc/01/14/01/1137011401.db2.gz YFXPZFLBLUHZFK-AWEZNQCLSA-N 1 1 343.254 3.767 20 30 EHEDMO COc1ccc2cc(C(=O)/C=C\c3c[nH+]c(N(C)C)n3C)ccc2c1 ZINC000821028311 1137014431 /nfs/dbraw/zinc/01/44/31/1137014431.db2.gz RFBFSWULIUDDMD-NTMALXAHSA-N 1 1 335.407 3.544 20 30 EHEDMO C=CCSc1ccccc1C(=O)NCCn1cc[nH+]c1C(C)C ZINC000777131875 1137038435 /nfs/dbraw/zinc/03/84/35/1137038435.db2.gz RRBVXRMURKXVHJ-UHFFFAOYSA-N 1 1 329.469 3.715 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccns1 ZINC000860051808 1137042079 /nfs/dbraw/zinc/04/20/79/1137042079.db2.gz SBVIZNICWMYMDE-LBPRGKRZSA-N 1 1 333.482 3.711 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@](C)(O)c1ccccc1 ZINC000822520657 1137062156 /nfs/dbraw/zinc/06/21/56/1137062156.db2.gz KSAGDDBMTLDTAT-GOSISDBHSA-N 1 1 348.368 3.917 20 30 EHEDMO CCC(C#N)(CC)C(=O)OC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000860552630 1137065813 /nfs/dbraw/zinc/06/58/13/1137065813.db2.gz RZPQXAFDUXHRBM-FUHWJXTLSA-N 1 1 344.455 3.561 20 30 EHEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)c(F)c2)no1 ZINC000822717668 1137069727 /nfs/dbraw/zinc/06/97/27/1137069727.db2.gz MIECCMRFSGSKDC-LLVKDONJSA-N 1 1 328.269 3.588 20 30 EHEDMO C=CCC1(C(=O)NCc2cccnc2-n2cc[nH+]c2C)CCCCC1 ZINC000822707109 1137071294 /nfs/dbraw/zinc/07/12/94/1137071294.db2.gz IGYVPTBUWSEURG-UHFFFAOYSA-N 1 1 338.455 3.719 20 30 EHEDMO N#CCCC[C@H]([NH3+])c1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC000823179833 1137088612 /nfs/dbraw/zinc/08/86/12/1137088612.db2.gz YFLMDTXUDNWOMW-NWDGAFQWSA-N 1 1 342.296 3.841 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000823619075 1137106666 /nfs/dbraw/zinc/10/66/66/1137106666.db2.gz WYZXNDIJXHVOSD-QGZVFWFLSA-N 1 1 347.462 3.987 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2cc(OC)ccc2OCc2ccccn2)C1 ZINC000862443197 1137145044 /nfs/dbraw/zinc/14/50/44/1137145044.db2.gz LPQLDVGNOLXBEV-KRWDZBQOSA-N 1 1 336.435 3.514 20 30 EHEDMO COC(=O)C1(C#N)CC[NH+](Cc2ccc(C3CCCC3)cc2)CC1 ZINC000824872548 1137156718 /nfs/dbraw/zinc/15/67/18/1137156718.db2.gz UJVNDXGEVNCMBR-UHFFFAOYSA-N 1 1 326.440 3.623 20 30 EHEDMO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC001136996395 1137168211 /nfs/dbraw/zinc/16/82/11/1137168211.db2.gz FWHXIGOVUGDMQS-KRWDZBQOSA-N 1 1 327.815 3.650 20 30 EHEDMO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2cncc(Cl)c2)C1 ZINC001136996395 1137168212 /nfs/dbraw/zinc/16/82/12/1137168212.db2.gz FWHXIGOVUGDMQS-KRWDZBQOSA-N 1 1 327.815 3.650 20 30 EHEDMO C=CCc1cc(C[N@@H+]2Cc3cccc(OC)c3C2)c(O)c(OC)c1 ZINC000863320291 1137181074 /nfs/dbraw/zinc/18/10/74/1137181074.db2.gz SEQQQEYYXHZPGF-UHFFFAOYSA-N 1 1 325.408 3.654 20 30 EHEDMO C=CCc1cc(C[N@H+]2Cc3cccc(OC)c3C2)c(O)c(OC)c1 ZINC000863320291 1137181075 /nfs/dbraw/zinc/18/10/75/1137181075.db2.gz SEQQQEYYXHZPGF-UHFFFAOYSA-N 1 1 325.408 3.654 20 30 EHEDMO CCOC(=O)C[C@@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)C[C@@H]1C ZINC001143734100 1137193257 /nfs/dbraw/zinc/19/32/57/1137193257.db2.gz BCLXHQPFLUZEJQ-KBPBESRZSA-N 1 1 334.847 3.623 20 30 EHEDMO CCOC(=O)C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)C[C@@H]1C ZINC001143734100 1137193259 /nfs/dbraw/zinc/19/32/59/1137193259.db2.gz BCLXHQPFLUZEJQ-KBPBESRZSA-N 1 1 334.847 3.623 20 30 EHEDMO COc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)cc1OC(F)(F)F ZINC001143878797 1137208144 /nfs/dbraw/zinc/20/81/44/1137208144.db2.gz KFNJADREPKQDPY-LBPRGKRZSA-N 1 1 328.334 3.719 20 30 EHEDMO C[C@H](CSc1ccccc1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000844362103 1137215325 /nfs/dbraw/zinc/21/53/25/1137215325.db2.gz XVOPDSYAUIGRKN-DNVCBOLYSA-N 1 1 326.465 3.704 20 30 EHEDMO COc1ccc(-c2ncc(C[NH+]3CCC(C#N)CC3)s2)cc1OC ZINC001144058154 1137233208 /nfs/dbraw/zinc/23/32/08/1137233208.db2.gz WMGBMOHHFFVDMQ-UHFFFAOYSA-N 1 1 343.452 3.563 20 30 EHEDMO N#Cc1cncc(C[N@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)c1 ZINC001144080177 1137237265 /nfs/dbraw/zinc/23/72/65/1137237265.db2.gz XNHQVGFMWQXLCV-FCHUYYIVSA-N 1 1 347.462 3.565 20 30 EHEDMO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3cncc(C#N)c3)C[C@@H]21 ZINC001144080113 1137237344 /nfs/dbraw/zinc/23/73/44/1137237344.db2.gz VXLCAHJRQVHXBT-FKBYEOEOSA-N 1 1 346.478 3.564 20 30 EHEDMO CCOc1cccc(/C=N/C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000794835403 1137275962 /nfs/dbraw/zinc/27/59/62/1137275962.db2.gz WZVGMAXHZMHIHK-OVBDPADQSA-N 1 1 338.451 3.732 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CC[C@H]3C[C@H](c4nc(C)cs4)O[C@@H]3C2)cc1 ZINC001144569594 1137311464 /nfs/dbraw/zinc/31/14/64/1137311464.db2.gz USDJLPFWNJNFPY-IPMKNSEASA-N 1 1 338.476 3.785 20 30 EHEDMO C[C@@H](C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)c1cc(F)cc(F)c1 ZINC000846006611 1137325444 /nfs/dbraw/zinc/32/54/44/1137325444.db2.gz JYHSZLQMLFTYLQ-DJJJIMSYSA-N 1 1 330.378 3.605 20 30 EHEDMO C=CC[NH+]1CCC(N[C@@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866260069 1137340141 /nfs/dbraw/zinc/34/01/41/1137340141.db2.gz BANRUAQOBOIDPU-QFIPXVFZSA-N 1 1 335.495 3.996 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](Cc1cccnc1)Cc1ccccn1 ZINC001171221324 1137347202 /nfs/dbraw/zinc/34/72/02/1137347202.db2.gz KPSPDLSTEDMHRW-SFHVURJKSA-N 1 1 342.446 3.982 20 30 EHEDMO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)CCO2 ZINC000866341270 1137347374 /nfs/dbraw/zinc/34/73/74/1137347374.db2.gz LVPGQPDSTUIRRV-UGSOOPFHSA-N 1 1 338.407 3.837 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001171222618 1137347381 /nfs/dbraw/zinc/34/73/81/1137347381.db2.gz HQQUMLDYYXVOJL-UWJYYQICSA-N 1 1 345.446 3.904 20 30 EHEDMO C[C@H]([NH2+][C@@H](CN(C)C)c1ccc(Cl)cc1)c1cccc(C#N)c1O ZINC000866352601 1137348711 /nfs/dbraw/zinc/34/87/11/1137348711.db2.gz ARLRIYWTQRPIQK-UGSOOPFHSA-N 1 1 343.858 3.871 20 30 EHEDMO Oc1ccccc1C[N@@H+](CC#Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000121039077 1137349207 /nfs/dbraw/zinc/34/92/07/1137349207.db2.gz XWQJJGSWONSSRP-FQEVSTJZSA-N 1 1 339.410 3.564 20 30 EHEDMO C=CCn1cc(C[NH2+][C@@H](C)c2cccc(SC(F)(F)F)c2)nn1 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ZINC000348193142 1137449019 /nfs/dbraw/zinc/44/90/19/1137449019.db2.gz LCXGEAITNHGKOO-CYBMUJFWSA-N 1 1 343.496 3.702 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCCC2(CCC2)C1 ZINC000348193142 1137449020 /nfs/dbraw/zinc/44/90/20/1137449020.db2.gz LCXGEAITNHGKOO-CYBMUJFWSA-N 1 1 343.496 3.702 20 30 EHEDMO CC(C)c1nccnc1N=NC1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000773092147 1137464726 /nfs/dbraw/zinc/46/47/26/1137464726.db2.gz ZIPYWLKWYHBZQU-MRXNPFEDSA-N 1 1 337.471 3.910 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CCC1=NN[C@@H]1CCCCC1(C)C ZINC000773123123 1137467027 /nfs/dbraw/zinc/46/70/27/1137467027.db2.gz FHFOVFUUTKRZBZ-QFBILLFUSA-N 1 1 328.504 3.838 20 30 EHEDMO C#CC1CC[NH+](CC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC001171490954 1137491648 /nfs/dbraw/zinc/49/16/48/1137491648.db2.gz RDJIRVKBKQEXBQ-UHFFFAOYSA-N 1 1 334.419 3.763 20 30 EHEDMO Cc1ccc(CN2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)cc1C#N ZINC001171810104 1137514308 /nfs/dbraw/zinc/51/43/08/1137514308.db2.gz NORLEHVEWKEABE-JOCHJYFZSA-N 1 1 333.479 3.616 20 30 EHEDMO N#Cc1coc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172075190 1137530327 /nfs/dbraw/zinc/53/03/27/1137530327.db2.gz BXVUWTITYKAZAQ-OWZKRDHZSA-N 1 1 335.451 3.827 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCN(Cc2ccccc2)C[C@H]1C ZINC001172307612 1137545557 /nfs/dbraw/zinc/54/55/57/1137545557.db2.gz OXZHSYNCNKKETL-RTBURBONSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001172307612 1137545558 /nfs/dbraw/zinc/54/55/58/1137545558.db2.gz OXZHSYNCNKKETL-RTBURBONSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001172307612 1137545560 /nfs/dbraw/zinc/54/55/60/1137545560.db2.gz OXZHSYNCNKKETL-RTBURBONSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)N1CC[NH+](C2(c3ccccc3)CC2)CC1 ZINC001172310970 1137546015 /nfs/dbraw/zinc/54/60/15/1137546015.db2.gz MQNRMUHCGWXQIV-IBGZPJMESA-N 1 1 345.490 3.796 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCO[C@](C)(c2ccc(F)cc2)C1 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UCIPWAGOGQVIQQ-HNNXBMFYSA-N 1 1 345.516 3.986 20 30 EHEDMO C=CCn1c(-c2cccnc2)nn(C[N@H+](CC)[C@@H](C)C(C)C)c1=S ZINC000125350226 1137630909 /nfs/dbraw/zinc/63/09/09/1137630909.db2.gz UCIPWAGOGQVIQQ-HNNXBMFYSA-N 1 1 345.516 3.986 20 30 EHEDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2cc(C#N)cnc2Cl)c1 ZINC000876628329 1137657531 /nfs/dbraw/zinc/65/75/31/1137657531.db2.gz ZDZKSAMJJVGBCQ-QGZVFWFLSA-N 1 1 341.842 3.822 20 30 EHEDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](C)CCC#N ZINC000876794150 1137661520 /nfs/dbraw/zinc/66/15/20/1137661520.db2.gz NKJJAAOQZOCLQM-GFCCVEGCSA-N 1 1 325.250 3.916 20 30 EHEDMO CCCCCCCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000876988292 1137667023 /nfs/dbraw/zinc/66/70/23/1137667023.db2.gz BFUBOBQJYVOHKX-UHFFFAOYSA-N 1 1 345.306 3.814 20 30 EHEDMO N#CC1(c2ccccn2)CC[NH+](Cc2cnc3c(F)cccc3c2)CC1 ZINC000877497908 1137678706 /nfs/dbraw/zinc/67/87/06/1137678706.db2.gz GCHREWHUTAOWLI-UHFFFAOYSA-N 1 1 346.409 3.826 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)cc1 ZINC000877815037 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348.446 3.630 20 30 EHEDMO CC(C)C[N@H+](Cc1ccc(C#N)s1)C[C@H](O)c1ccc(F)cc1 ZINC000127484513 1137736911 /nfs/dbraw/zinc/73/69/11/1137736911.db2.gz ZZSDKOPDOSXVJH-SFHVURJKSA-N 1 1 332.444 3.950 20 30 EHEDMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)CCc2cccc(C#N)c2)c1 ZINC000879434193 1137747649 /nfs/dbraw/zinc/74/76/49/1137747649.db2.gz FGGQNFZVGBKWAL-QGZVFWFLSA-N 1 1 335.451 3.677 20 30 EHEDMO Cc1cccc2c(C[N@H+]3CCC[C@H](Oc4ccccc4C#N)C3)[nH]nc21 ZINC001137149199 1137765065 /nfs/dbraw/zinc/76/50/65/1137765065.db2.gz JRFAFDDFQGYYPV-KRWDZBQOSA-N 1 1 346.434 3.786 20 30 EHEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880274921 1137772539 /nfs/dbraw/zinc/77/25/39/1137772539.db2.gz ACPCBRWENDOHQO-GOSISDBHSA-N 1 1 343.434 3.723 20 30 EHEDMO N#CCSCCC[N@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880275166 1137772689 /nfs/dbraw/zinc/77/26/89/1137772689.db2.gz KUMNHVADKRUJLS-KRWDZBQOSA-N 1 1 340.496 3.903 20 30 EHEDMO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2Cl)cn1 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328.485 3.698 20 30 EHEDMO C=CCN1CC[C@@H]([N@@H+]2CCc3sccc3[C@@H]2c2cccs2)C1=O ZINC000337137800 1138476382 /nfs/dbraw/zinc/47/63/82/1138476382.db2.gz PWWYTGCRVSGUSS-RHSMWYFYSA-N 1 1 344.505 3.544 20 30 EHEDMO C=CCN1CC[C@@H]([N@H+]2CCc3sccc3[C@@H]2c2cccs2)C1=O ZINC000337137800 1138476386 /nfs/dbraw/zinc/47/63/86/1138476386.db2.gz PWWYTGCRVSGUSS-RHSMWYFYSA-N 1 1 344.505 3.544 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000264395386 1138499481 /nfs/dbraw/zinc/49/94/81/1138499481.db2.gz BUUJAZCNKRCJPJ-GDBMZVCRSA-N 1 1 337.398 3.514 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000264395386 1138499482 /nfs/dbraw/zinc/49/94/82/1138499482.db2.gz BUUJAZCNKRCJPJ-GDBMZVCRSA-N 1 1 337.398 3.514 20 30 EHEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000264437365 1138515497 /nfs/dbraw/zinc/51/54/97/1138515497.db2.gz KSMBWZPATHTDSX-INIZCTEOSA-N 1 1 337.398 3.515 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000265053972 1138713437 /nfs/dbraw/zinc/71/34/37/1138713437.db2.gz XJJJNZADNWJSDR-OAHLLOKOSA-N 1 1 347.422 3.976 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000265053972 1138713438 /nfs/dbraw/zinc/71/34/38/1138713438.db2.gz XJJJNZADNWJSDR-OAHLLOKOSA-N 1 1 347.422 3.976 20 30 EHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc(C#N)cc1 ZINC000338190444 1138781271 /nfs/dbraw/zinc/78/12/71/1138781271.db2.gz KZSKPGJDXOPFQE-UHFFFAOYSA-N 1 1 336.439 3.590 20 30 EHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)Nc1ncc(C#N)cc1Cl ZINC000338259629 1138804969 /nfs/dbraw/zinc/80/49/69/1138804969.db2.gz WJQSHZSYCBIUEN-UHFFFAOYSA-N 1 1 328.847 3.929 20 30 EHEDMO C[C@@H](C#N)C[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C1CC1 ZINC000338349282 1138846329 /nfs/dbraw/zinc/84/63/29/1138846329.db2.gz ASYGFORWVBGCEI-LBPRGKRZSA-N 1 1 339.361 3.658 20 30 EHEDMO C[C@@H](C#N)C[N@@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C1CC1 ZINC000338349282 1138846332 /nfs/dbraw/zinc/84/63/32/1138846332.db2.gz ASYGFORWVBGCEI-LBPRGKRZSA-N 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340.423 3.864 20 30 EHEDMO C[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000181681895 1139924285 /nfs/dbraw/zinc/92/42/85/1139924285.db2.gz JMMOFUKJOLXCPA-RXVVDRJESA-N 1 1 333.479 3.773 20 30 EHEDMO C[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000181681895 1139924288 /nfs/dbraw/zinc/92/42/88/1139924288.db2.gz JMMOFUKJOLXCPA-RXVVDRJESA-N 1 1 333.479 3.773 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(NCc3cc(F)ccc3F)CC2)cc1 ZINC000181708323 1139925948 /nfs/dbraw/zinc/92/59/48/1139925948.db2.gz WEQPPUANMJRURZ-UHFFFAOYSA-N 1 1 341.405 3.591 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc(OCC#N)cc1 ZINC000181755310 1139928304 /nfs/dbraw/zinc/92/83/04/1139928304.db2.gz SUUCXEFLLIMNED-OAHLLOKOSA-N 1 1 341.430 3.640 20 30 EHEDMO Cc1sc(NC(=O)C[NH2+][C@H](C)c2cccc(F)c2F)c(C#N)c1C ZINC000181989092 1139943955 /nfs/dbraw/zinc/94/39/55/1139943955.db2.gz FUQDMMSJGWAYIH-SNVBAGLBSA-N 1 1 349.406 3.804 20 30 EHEDMO CC[C@@H](CC#N)[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000184095807 1140078806 /nfs/dbraw/zinc/07/88/06/1140078806.db2.gz OXABRXQAPXCIBK-SFHVURJKSA-N 1 1 331.423 3.716 20 30 EHEDMO CCC[N@@H+](CCc1cccs1)CC(=O)Nc1sccc1C#N ZINC000184514104 1140106844 /nfs/dbraw/zinc/10/68/44/1140106844.db2.gz HQYFIQKCXVEEOX-UHFFFAOYSA-N 1 1 333.482 3.574 20 30 EHEDMO C=C(C)C[C@H](C)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000185431692 1140149788 /nfs/dbraw/zinc/14/97/88/1140149788.db2.gz JUFUSCBAFWZKSB-SFHVURJKSA-N 1 1 328.500 3.959 20 30 EHEDMO C=CC[C@@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000187039161 1140234936 /nfs/dbraw/zinc/23/49/36/1140234936.db2.gz IEYLIULOHAMAPX-HMXCVIKNSA-N 1 1 338.495 3.822 20 30 EHEDMO Cc1cccc(C(=O)N2CCC[N@H+]([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000187730601 1140268901 /nfs/dbraw/zinc/26/89/01/1140268901.db2.gz BDEWOJIWYKITTN-GOSISDBHSA-N 1 1 347.462 3.776 20 30 EHEDMO C=CCOc1ccc(C[NH2+][C@@H](COC)c2ccc(CC)o2)cc1OC ZINC000266185837 1140653477 /nfs/dbraw/zinc/65/34/77/1140653477.db2.gz WQSAAXLLUVEOBS-KRWDZBQOSA-N 1 1 345.439 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C=C(C)C[C@@H](C)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248603804 1032057416 /nfs/dbraw/zinc/05/74/16/1032057416.db2.gz BOEOUKOQZMFICW-QUCCMNQESA-N 1 1 328.500 3.959 20 30 EHEDMO CCSc1cccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000430179237 1014610613 /nfs/dbraw/zinc/61/06/13/1014610613.db2.gz OFHLAUXKHWTTOX-KRWDZBQOSA-N 1 1 339.464 3.719 20 30 EHEDMO CCOc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000413358901 1014630009 /nfs/dbraw/zinc/63/00/09/1014630009.db2.gz NJWROJQNHBZLSH-BBWFWOEESA-N 1 1 343.471 3.593 20 30 EHEDMO C=CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)Cc1cccc(C#N)c1 ZINC000092504268 1014807966 /nfs/dbraw/zinc/80/79/66/1014807966.db2.gz UWVLDPXHEPDRMO-UHFFFAOYSA-N 1 1 349.478 3.687 20 30 EHEDMO C=CCN(Cc1ccc(OCC[NH+](C)C)cc1)Cc1cccc(C#N)c1 ZINC000092504268 1014807976 /nfs/dbraw/zinc/80/79/76/1014807976.db2.gz UWVLDPXHEPDRMO-UHFFFAOYSA-N 1 1 349.478 3.687 20 30 EHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000187162438 1014915881 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EHEDMO CN(CCC#N)C(=O)CC[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459751806 1032445283 /nfs/dbraw/zinc/44/52/83/1032445283.db2.gz QLSOSVBDATWKGZ-HXUWFJFHSA-N 1 1 339.483 3.756 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000537372538 1032667787 /nfs/dbraw/zinc/66/77/87/1032667787.db2.gz JOMAXBAXFYWYQF-HXUWFJFHSA-N 1 1 334.463 3.931 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000537372538 1032667796 /nfs/dbraw/zinc/66/77/96/1032667796.db2.gz JOMAXBAXFYWYQF-HXUWFJFHSA-N 1 1 334.463 3.931 20 30 EHEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](c3ccccc3)CC2)c1 ZINC001167302697 1017660746 /nfs/dbraw/zinc/66/07/46/1017660746.db2.gz STKSHPLJQJNHFH-LJQANCHMSA-N 1 1 333.435 3.766 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000471433182 1017676610 /nfs/dbraw/zinc/67/66/10/1017676610.db2.gz XZFPXYZHPKBSKI-GOSISDBHSA-N 1 1 336.435 3.596 20 30 EHEDMO C[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@H](C)CO1 ZINC000472744432 1017680722 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3.633 20 30 EHEDMO C#CC[C@@H]([NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F)c1ccccc1 ZINC000782497090 1032790563 /nfs/dbraw/zinc/79/05/63/1032790563.db2.gz NIGONNUREWDLKY-CYBMUJFWSA-N 1 1 341.764 3.947 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000614403568 1018980669 /nfs/dbraw/zinc/98/06/69/1018980669.db2.gz KVXVMRRECPDHHQ-UHFFFAOYSA-N 1 1 328.843 3.905 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419379227 1019009875 /nfs/dbraw/zinc/00/98/75/1019009875.db2.gz WKNBXZQEYCSZBG-UGUYLWEFSA-N 1 1 345.512 3.853 20 30 EHEDMO C[C@H]1C[C@H](Nc2nc3c(cc2C#N)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000379678242 1019091229 /nfs/dbraw/zinc/09/12/29/1019091229.db2.gz FMVWSRFIMJWNKI-OXJNMPFZSA-N 1 1 346.478 3.907 20 30 EHEDMO N#Cc1ccc(C2([NH2+]Cc3c(F)cccc3F)CCOCC2)cc1 ZINC000528778877 1032810757 /nfs/dbraw/zinc/81/07/57/1032810757.db2.gz OJIQOFCTRCGFPG-UHFFFAOYSA-N 1 1 328.362 3.632 20 30 EHEDMO N#Cc1ccc(C[N@H+](CCCn2c3ccccc3[nH]c2=O)C2CC2)cc1 ZINC000544189598 1019196188 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CC(C)c1cnc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)s1 ZINC000183001636 1019914351 /nfs/dbraw/zinc/91/43/51/1019914351.db2.gz DEQDXQFUYXSNLA-UHFFFAOYSA-N 1 1 340.496 3.850 20 30 EHEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000580774270 1020002574 /nfs/dbraw/zinc/00/25/74/1020002574.db2.gz OPBVDSPFSQAIPT-UYAOXDASSA-N 1 1 328.456 3.760 20 30 EHEDMO CCN(Cc1cccc(C#N)n1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000602449822 1032878618 /nfs/dbraw/zinc/87/86/18/1032878618.db2.gz SSRCUBHSACJKMI-UWJYYQICSA-N 1 1 334.467 3.611 20 30 EHEDMO N#Cc1cccc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)n1 ZINC000602441975 1032889219 /nfs/dbraw/zinc/88/92/19/1032889219.db2.gz HITPSRSLHRVAJO-UHFFFAOYSA-N 1 1 327.815 3.650 20 30 EHEDMO Cc1cc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c2c(n1)CCCC2 ZINC000897595744 1032885704 /nfs/dbraw/zinc/88/57/04/1032885704.db2.gz HAAZBUMRBCBSAA-QFIPXVFZSA-N 1 1 347.462 3.714 20 30 EHEDMO Cc1cc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c2c(n1)CCCC2 ZINC000897595744 1032885723 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3.995 20 30 EHEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000071115377 1020641798 /nfs/dbraw/zinc/64/17/98/1020641798.db2.gz PYBVQUMLNWSEJG-LJQANCHMSA-N 1 1 346.471 3.991 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000602487035 1032915664 /nfs/dbraw/zinc/91/56/64/1032915664.db2.gz SGOSZWWMOLKMGO-RDJZCZTQSA-N 1 1 339.439 3.567 20 30 EHEDMO Cc1ccc(NC[C@@H](C)CCC#N)cc1NC(=O)C[NH+]1CCCCC1 ZINC000602495368 1032920771 /nfs/dbraw/zinc/92/07/71/1032920771.db2.gz ZDQGHPOUDBGMAD-INIZCTEOSA-N 1 1 342.487 3.771 20 30 EHEDMO Cc1sc(NC(=O)C[N@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)c(C#N)c1C ZINC000246429586 1020782888 /nfs/dbraw/zinc/78/28/88/1020782888.db2.gz SWOXVAFGHBDZCP-DJSGYFEHSA-N 1 1 331.485 3.828 20 30 EHEDMO C=CCOc1ccc(C[NH2+]CCN2[C@H](C)CCC[C@H]2C)cc1OC ZINC000341230403 1021135005 /nfs/dbraw/zinc/13/50/05/1021135005.db2.gz SHUSVNCTJUCTGE-IAGOWNOFSA-N 1 1 332.488 3.613 20 30 EHEDMO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075680128 1021177524 /nfs/dbraw/zinc/17/75/24/1021177524.db2.gz GZUHCPKPLMMODF-GOSISDBHSA-N 1 1 344.418 3.906 20 30 EHEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439452461 1021453010 /nfs/dbraw/zinc/45/30/10/1021453010.db2.gz NFCVYIMHZOEWSN-YOEHRIQHSA-N 1 1 347.890 3.728 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000426405595 1021509543 /nfs/dbraw/zinc/50/95/43/1021509543.db2.gz ROSHJHFWDSSKPC-UHFFFAOYSA-N 1 1 349.865 3.775 20 30 EHEDMO C[C@H](CCC#N)C[N@@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000602596804 1032992472 /nfs/dbraw/zinc/99/24/72/1032992472.db2.gz RRIJILILGFCLTD-LLVKDONJSA-N 1 1 325.225 3.886 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000602596804 1032992487 /nfs/dbraw/zinc/99/24/87/1032992487.db2.gz RRIJILILGFCLTD-LLVKDONJSA-N 1 1 325.225 3.886 20 30 EHEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)C[C@H](O)COc1ccc(C#N)cc1 ZINC000519909209 1021758671 /nfs/dbraw/zinc/75/86/71/1021758671.db2.gz MTLZVNQPSKPHCU-FPOVZHCZSA-N 1 1 338.451 3.771 20 30 EHEDMO N#Cc1cnn2cc(C[N@@H+]3CC4(CCCC4)[C@@H]3c3ccccc3)cnc12 ZINC000592515241 1033002973 /nfs/dbraw/zinc/00/29/73/1033002973.db2.gz WQLFXZOWZMIPKF-IBGZPJMESA-N 1 1 343.434 3.718 20 30 EHEDMO N#Cc1cnn2cc(C[N@H+]3CC4(CCCC4)[C@@H]3c3ccccc3)cnc12 ZINC000592515241 1033002987 /nfs/dbraw/zinc/00/29/87/1033002987.db2.gz WQLFXZOWZMIPKF-IBGZPJMESA-N 1 1 343.434 3.718 20 30 EHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000519968598 1021827236 /nfs/dbraw/zinc/82/72/36/1021827236.db2.gz OUZFZJLWBJEOAY-QFIPXVFZSA-N 1 1 346.474 3.835 20 30 EHEDMO CCC[N@@H+](C)CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000437478104 1021874770 /nfs/dbraw/zinc/87/47/70/1021874770.db2.gz XWLPMQRFDCBYHB-UHFFFAOYSA-N 1 1 341.386 3.770 20 30 EHEDMO N#CC1(NC(=O)C[N@H+]2CCCCC[C@@H]2c2ccccc2)CCCCC1 ZINC000520043105 1021897199 /nfs/dbraw/zinc/89/71/99/1021897199.db2.gz ZWGCZWPMJGEXDL-LJQANCHMSA-N 1 1 339.483 3.946 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000519170354 1021911582 /nfs/dbraw/zinc/91/15/82/1021911582.db2.gz QJZGYIWIBQKIDQ-GOSISDBHSA-N 1 1 342.826 3.874 20 30 EHEDMO C=CCC1(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000664784077 1021938589 /nfs/dbraw/zinc/93/85/89/1021938589.db2.gz WILIDJXZBSLLNJ-IBGZPJMESA-N 1 1 341.499 3.697 20 30 EHEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC3(CCC3)C2)sc2c1CCCC2 ZINC000123502735 1021943168 /nfs/dbraw/zinc/94/31/68/1021943168.db2.gz GUZTVZVGOJHKOV-UHFFFAOYSA-N 1 1 343.496 3.703 20 30 EHEDMO C=CCOc1cccc(C[N@H+](C)CC(=O)Nc2cccc(C)c2C)c1 ZINC000506791370 1022025875 /nfs/dbraw/zinc/02/58/75/1022025875.db2.gz YVRVONZVNGOLOM-UHFFFAOYSA-N 1 1 338.451 3.939 20 30 EHEDMO C=CCOc1cccc(C[N@@H+](C)CC(=O)Nc2cccc(C)c2C)c1 ZINC000506791370 1022025888 /nfs/dbraw/zinc/02/58/88/1022025888.db2.gz YVRVONZVNGOLOM-UHFFFAOYSA-N 1 1 338.451 3.939 20 30 EHEDMO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]Cc1nc(C#N)cs1 ZINC000897629888 1033025700 /nfs/dbraw/zinc/02/57/00/1033025700.db2.gz NQPWICFLTAMSML-VIFPVBQESA-N 1 1 342.251 3.879 20 30 EHEDMO Clc1ccccc1C#CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441238309 1022073503 /nfs/dbraw/zinc/07/35/03/1022073503.db2.gz YIEQPOUGBJMOAX-PXNSSMCTSA-N 1 1 328.887 3.640 20 30 EHEDMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc2c(c1)nnn2C ZINC000506115213 1022088154 /nfs/dbraw/zinc/08/81/54/1022088154.db2.gz WQGRCSFZBAXBEB-UHFFFAOYSA-N 1 1 332.860 3.871 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc2c(c1)nnn2C ZINC000506115213 1022088158 /nfs/dbraw/zinc/08/81/58/1022088158.db2.gz WQGRCSFZBAXBEB-UHFFFAOYSA-N 1 1 332.860 3.871 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000519506294 1022166855 /nfs/dbraw/zinc/16/68/55/1022166855.db2.gz IKLJGWZYVUQNDM-NHCUHLMSSA-N 1 1 340.511 3.898 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000519506294 1022166858 /nfs/dbraw/zinc/16/68/58/1022166858.db2.gz IKLJGWZYVUQNDM-NHCUHLMSSA-N 1 1 340.511 3.898 20 30 EHEDMO C=CCOc1ccc(C[NH2+][C@H]2COc3ccc(F)cc32)cc1OC ZINC000341548367 1022261712 /nfs/dbraw/zinc/26/17/12/1022261712.db2.gz VBOSTJBTSQUMHO-INIZCTEOSA-N 1 1 329.371 3.622 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@H+](Cc1csc(C#N)c1)C2 ZINC000894947234 1022270799 /nfs/dbraw/zinc/27/07/99/1022270799.db2.gz DFFLEQWXSUZTFY-GOSISDBHSA-N 1 1 347.484 3.595 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@@H+](Cc1csc(C#N)c1)C2 ZINC000894947234 1022270806 /nfs/dbraw/zinc/27/08/06/1022270806.db2.gz DFFLEQWXSUZTFY-GOSISDBHSA-N 1 1 347.484 3.595 20 30 EHEDMO CC(C)C[N@H+](Cc1nc(Br)c[nH]1)Cc1ccc(C#N)cc1 ZINC000891684682 1022312023 /nfs/dbraw/zinc/31/20/23/1022312023.db2.gz NSYSYKDXNFKOAC-UHFFFAOYSA-N 1 1 347.260 3.702 20 30 EHEDMO CC(C)C[N@@H+](Cc1nc(Br)c[nH]1)Cc1ccc(C#N)cc1 ZINC000891684682 1022312034 /nfs/dbraw/zinc/31/20/34/1022312034.db2.gz NSYSYKDXNFKOAC-UHFFFAOYSA-N 1 1 347.260 3.702 20 30 EHEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1csc(C#N)c1)Cc1ccncc1 ZINC000894455350 1022314925 /nfs/dbraw/zinc/31/49/25/1022314925.db2.gz IIPYAVSULKXZRJ-GOSISDBHSA-N 1 1 340.496 3.501 20 30 EHEDMO CC1CCC([N@@H+](CCC(=O)Nc2sccc2C#N)C2CC2)CC1 ZINC000053170380 1022403842 /nfs/dbraw/zinc/40/38/42/1022403842.db2.gz DWRRPMHIABMVBX-UHFFFAOYSA-N 1 1 331.485 3.991 20 30 EHEDMO COc1ccc2occ(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)c2c1 ZINC000328704127 1022472839 /nfs/dbraw/zinc/47/28/39/1022472839.db2.gz KLPXBGXUOIITGC-AGUYFDCRSA-N 1 1 328.412 3.761 20 30 EHEDMO N#Cc1cc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)cs1 ZINC000891729077 1022474286 /nfs/dbraw/zinc/47/42/86/1022474286.db2.gz PXNNHVHUDFMSBM-UHFFFAOYSA-N 1 1 334.391 3.941 20 30 EHEDMO Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000328888829 1022527699 /nfs/dbraw/zinc/52/76/99/1022527699.db2.gz PXEJEGGTDYSDDN-IRWQIABSSA-N 1 1 340.471 3.542 20 30 EHEDMO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2ccc(CC#N)cc2)CC1 ZINC000517741514 1022611767 /nfs/dbraw/zinc/61/17/67/1022611767.db2.gz SIJYTVPPEZLBRY-DYESRHJHSA-N 1 1 325.500 3.885 20 30 EHEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000330672258 1022652210 /nfs/dbraw/zinc/65/22/10/1022652210.db2.gz GCLCBMFSCPFTOS-HNNXBMFYSA-N 1 1 334.508 3.941 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000330888097 1022692597 /nfs/dbraw/zinc/69/25/97/1022692597.db2.gz UBIMNTBKYLTVJW-REHHDOPLSA-N 1 1 341.499 3.555 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000330897860 1022708877 /nfs/dbraw/zinc/70/88/77/1022708877.db2.gz UOJCAHCQCUDMFD-RBSFLKMASA-N 1 1 346.500 3.651 20 30 EHEDMO CC(C)CCn1ncc(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1C(C)C ZINC000331098753 1022741483 /nfs/dbraw/zinc/74/14/83/1022741483.db2.gz DTMUSFWUEMORET-CVEARBPZSA-N 1 1 349.523 3.623 20 30 EHEDMO C[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000430936387 1022907379 /nfs/dbraw/zinc/90/73/79/1022907379.db2.gz UTCSUTIKZHZKEQ-HKUYNNGSSA-N 1 1 342.487 3.595 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1cc(C#N)c2ccccc2n1 ZINC000383092928 1023024477 /nfs/dbraw/zinc/02/44/77/1023024477.db2.gz VRASYNRNDBHVOE-QGZVFWFLSA-N 1 1 342.446 3.817 20 30 EHEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075745746 1033095774 /nfs/dbraw/zinc/09/57/74/1033095774.db2.gz JFSHUNRVMURESA-DNVCBOLYSA-N 1 1 344.418 3.986 20 30 EHEDMO C=CCOc1cccc(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000510751831 1023098243 /nfs/dbraw/zinc/09/82/43/1023098243.db2.gz VXTZDIAVHMXVLT-HZPDHXFCSA-N 1 1 331.460 3.636 20 30 EHEDMO C=CCCS(=O)(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000130153762 1023145301 /nfs/dbraw/zinc/14/53/01/1023145301.db2.gz LYDGOBFYQOQNIC-UHFFFAOYSA-N 1 1 336.501 3.769 20 30 EHEDMO N#Cc1ccc(N2CC[NH+](CCc3ccccc3Cl)CC2)c(F)c1 ZINC000507175818 1023162502 /nfs/dbraw/zinc/16/25/02/1023162502.db2.gz ACSCJRJQNVGIMO-UHFFFAOYSA-N 1 1 343.833 3.715 20 30 EHEDMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCCCC#N)C[C@H]1c1ccccc1 ZINC000518370861 1023262031 /nfs/dbraw/zinc/26/20/31/1023262031.db2.gz YSLRJGBDVLNCEH-ZWKOTPCHSA-N 1 1 328.456 3.738 20 30 EHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1cc(F)ccc1C#N ZINC000610728867 1023378507 /nfs/dbraw/zinc/37/85/07/1023378507.db2.gz RLXDFZHBWDRBLZ-QGZVFWFLSA-N 1 1 337.442 3.794 20 30 EHEDMO N#CCCN(C(=O)C[N@@H+]1CCC=C(c2ccccc2)C1)c1ccccc1 ZINC000341981584 1023732484 /nfs/dbraw/zinc/73/24/84/1023732484.db2.gz FIWQTMVTACBKKC-UHFFFAOYSA-N 1 1 345.446 3.723 20 30 EHEDMO N#CCCN(C(=O)C[N@H+]1CCC=C(c2ccccc2)C1)c1ccccc1 ZINC000341981584 1023732490 /nfs/dbraw/zinc/73/24/90/1023732490.db2.gz FIWQTMVTACBKKC-UHFFFAOYSA-N 1 1 345.446 3.723 20 30 EHEDMO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)nnn1-c1ccc(F)cc1 ZINC000610830535 1023780154 /nfs/dbraw/zinc/78/01/54/1023780154.db2.gz ZKVIFNRDXFYYGJ-UONOGXRCSA-N 1 1 349.413 3.998 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@@H+](CC(C)C)[C@H](C)c1ccccc1C ZINC000342069373 1023825869 /nfs/dbraw/zinc/82/58/69/1023825869.db2.gz UKCVLKPESRNGCP-GOSISDBHSA-N 1 1 329.488 3.776 20 30 EHEDMO C=CC[C@H](C)NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000342080781 1023886759 /nfs/dbraw/zinc/88/67/59/1023886759.db2.gz BHBMWLFNTTXKBP-IRXDYDNUSA-N 1 1 329.488 3.682 20 30 EHEDMO C=C(C)C[N@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000181292644 1023895738 /nfs/dbraw/zinc/89/57/38/1023895738.db2.gz UUOXXBVLITUYEK-FQEVSTJZSA-N 1 1 340.492 3.730 20 30 EHEDMO CC(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(F)(C#N)CC1 ZINC000348712687 1023928295 /nfs/dbraw/zinc/92/82/95/1023928295.db2.gz IWMBOPWVXMBSMB-UHFFFAOYSA-N 1 1 326.419 3.823 20 30 EHEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)cc1C#N ZINC000610994368 1023999753 /nfs/dbraw/zinc/99/97/53/1023999753.db2.gz YKHJEWKIJWGKJD-HXUWFJFHSA-N 1 1 335.451 3.970 20 30 EHEDMO O=C(C[NH+]1CCC(c2ncc[nH]2)CC1)N[C@H]1CCCc2ccccc21 ZINC000329722220 1024146882 /nfs/dbraw/zinc/14/68/82/1024146882.db2.gz CHBITTQKORMIIR-SFHVURJKSA-N 1 1 338.455 3.623 20 30 EHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000329785971 1024195446 /nfs/dbraw/zinc/19/54/46/1024195446.db2.gz QJLTVRDIPRDYPA-IKGGRYGDSA-N 1 1 345.487 3.591 20 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ZINC000330036495 1024299182 /nfs/dbraw/zinc/29/91/82/1024299182.db2.gz YHBKGAADDZBHOS-GASCZTMLSA-N 1 1 342.487 3.818 20 30 EHEDMO O=C(Nc1cc(F)ccc1OCC1CC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000330084259 1024312589 /nfs/dbraw/zinc/31/25/89/1024312589.db2.gz BVLUYNBMHSEUAD-NVXWUHKLSA-N 1 1 347.434 3.567 20 30 EHEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000509981577 1024341014 /nfs/dbraw/zinc/34/10/14/1024341014.db2.gz HXERTFNLJXCOSB-LJQANCHMSA-N 1 1 328.481 3.852 20 30 EHEDMO CC(=[NH+]Nc1cccc2cnccc21)c1ccc(N2CCOCC2)cc1 ZINC000728432316 1024359703 /nfs/dbraw/zinc/35/97/03/1024359703.db2.gz QZDRXBOSJHLMSN-UHFFFAOYSA-N 1 1 346.434 3.908 20 30 EHEDMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330241939 1024369497 /nfs/dbraw/zinc/36/94/97/1024369497.db2.gz JFEAKYPOPXPEJM-WBVHZDCISA-N 1 1 346.471 3.729 20 30 EHEDMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330241939 1024369512 /nfs/dbraw/zinc/36/95/12/1024369512.db2.gz JFEAKYPOPXPEJM-WBVHZDCISA-N 1 1 346.471 3.729 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nccc(C#N)c2Cl)C1 ZINC000342206324 1024403011 /nfs/dbraw/zinc/40/30/11/1024403011.db2.gz ARHXKSHAMAGEOQ-HUUCEWRRSA-N 1 1 332.879 3.697 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)c(OC(F)F)c1 ZINC000602857976 1033212589 /nfs/dbraw/zinc/21/25/89/1033212589.db2.gz ZRGNFOVRKFBKGF-MRXNPFEDSA-N 1 1 343.377 3.934 20 30 EHEDMO C[C@@H](Nc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000425243702 1024506747 /nfs/dbraw/zinc/50/67/47/1024506747.db2.gz FSZYLOSONUZJHG-HIFRSBDPSA-N 1 1 328.416 3.531 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000185310019 1024791775 /nfs/dbraw/zinc/79/17/75/1024791775.db2.gz UYSUKGZHAVWMQZ-NRFANRHFSA-N 1 1 347.462 3.507 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)[C@H](C)CO1 ZINC000508018313 1024844734 /nfs/dbraw/zinc/84/47/34/1024844734.db2.gz YIVPGQKXRAGDCV-IAGOWNOFSA-N 1 1 336.435 3.746 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)[C@H](C)CO1 ZINC000508018313 1024844760 /nfs/dbraw/zinc/84/47/60/1024844760.db2.gz YIVPGQKXRAGDCV-IAGOWNOFSA-N 1 1 336.435 3.746 20 30 EHEDMO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000425364088 1024864665 /nfs/dbraw/zinc/86/46/65/1024864665.db2.gz DYGFIJKEULZZSS-RTBURBONSA-N 1 1 326.827 3.828 20 30 EHEDMO Cc1cc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000425364088 1024864676 /nfs/dbraw/zinc/86/46/76/1024864676.db2.gz DYGFIJKEULZZSS-RTBURBONSA-N 1 1 326.827 3.828 20 30 EHEDMO N#Cc1ccccc1NC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000602896060 1033248498 /nfs/dbraw/zinc/24/84/98/1033248498.db2.gz HSGLIFUMIZBXMD-UHFFFAOYSA-N 1 1 348.406 3.883 20 30 EHEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cncc(Br)c2)CC1 ZINC000515075145 1024996784 /nfs/dbraw/zinc/99/67/84/1024996784.db2.gz XAHNROLXZCSRDI-ZDUSSCGKSA-N 1 1 338.293 3.535 20 30 EHEDMO C[N@H+]1CC[C@H](C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000515370265 1025186098 /nfs/dbraw/zinc/18/60/98/1025186098.db2.gz VVMKPJXAOKYNDI-HNNXBMFYSA-N 1 1 337.448 3.600 20 30 EHEDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000342410386 1025258377 /nfs/dbraw/zinc/25/83/77/1025258377.db2.gz KIABNGHMIDRWKK-GHTZIAJQSA-N 1 1 349.478 3.711 20 30 EHEDMO CC(C)[C@H](NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000046528923 1033274567 /nfs/dbraw/zinc/27/45/67/1033274567.db2.gz LTKHEJOYDCPADH-NRFANRHFSA-N 1 1 335.451 3.504 20 30 EHEDMO CC(C)[C@H](NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000046528923 1033274579 /nfs/dbraw/zinc/27/45/79/1033274579.db2.gz LTKHEJOYDCPADH-NRFANRHFSA-N 1 1 335.451 3.504 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1ccc(C#N)cc1 ZINC000046529264 1033275149 /nfs/dbraw/zinc/27/51/49/1033275149.db2.gz GMAVJYLAVVTVFK-UHFFFAOYSA-N 1 1 345.805 3.811 20 30 EHEDMO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000346995344 1025398663 /nfs/dbraw/zinc/39/86/63/1025398663.db2.gz ROGZVFZFCDQUQH-KRWDZBQOSA-N 1 1 347.462 3.689 20 30 EHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CCOc2ccccc2C#N)C1 ZINC000439014886 1025427964 /nfs/dbraw/zinc/42/79/64/1025427964.db2.gz LCLPSJZUIHNPQR-GTAWCEEGSA-N 1 1 342.483 3.589 20 30 EHEDMO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@H+]1CCCSCC#N ZINC000425483780 1025453767 /nfs/dbraw/zinc/45/37/67/1025453767.db2.gz UXYPBNZJAWPKHB-HNNXBMFYSA-N 1 1 326.506 3.610 20 30 EHEDMO CC1=CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000436253203 1025511268 /nfs/dbraw/zinc/51/12/68/1025511268.db2.gz LHWOXKYJHJFRKC-ZDUSSCGKSA-N 1 1 343.496 3.725 20 30 EHEDMO COc1cc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)ccc1C#N ZINC000442836733 1025527457 /nfs/dbraw/zinc/52/74/57/1025527457.db2.gz OSRMODDCIANVHV-HNNXBMFYSA-N 1 1 328.362 3.835 20 30 EHEDMO CC(C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000142346168 1025550097 /nfs/dbraw/zinc/55/00/97/1025550097.db2.gz LBUWJPWRWABTLO-UHFFFAOYSA-N 1 1 347.462 3.525 20 30 EHEDMO C[N@@H+](CCOc1ccc(C#N)cc1)CCOc1cccc(Cl)c1 ZINC000302808201 1025570455 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ZINC000425541369 1025693161 /nfs/dbraw/zinc/69/31/61/1025693161.db2.gz WSRVZUIYBNJZQH-AUUYWEPGSA-N 1 1 328.843 3.808 20 30 EHEDMO CC[N@@H+](CCC1CCN(c2c(C#N)cccc2C#N)CC1)CC1CC1 ZINC000436419135 1025700345 /nfs/dbraw/zinc/70/03/45/1025700345.db2.gz YBOSXIXOSHZYMD-UHFFFAOYSA-N 1 1 336.483 3.768 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000425543299 1025701482 /nfs/dbraw/zinc/70/14/82/1025701482.db2.gz ZDZLKEYOGRVBHT-CQSZACIVSA-N 1 1 325.368 3.538 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H]2CCCC[C@H]21 ZINC000515968033 1025804690 /nfs/dbraw/zinc/80/46/90/1025804690.db2.gz ICNKPGUFIAFMEL-LSTHTHJFSA-N 1 1 349.482 3.869 20 30 EHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329421200 1025828026 /nfs/dbraw/zinc/82/80/26/1025828026.db2.gz HCXSTNQMBUCZMU-JKSUJKDBSA-N 1 1 346.519 3.716 20 30 EHEDMO Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC000329469782 1025886473 /nfs/dbraw/zinc/88/64/73/1025886473.db2.gz XSLUTVMCRFVZSA-CGTJXYLNSA-N 1 1 344.503 3.557 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000522097731 1025969282 /nfs/dbraw/zinc/96/92/82/1025969282.db2.gz WWAJFQHCGFTDRS-RDJZCZTQSA-N 1 1 332.875 3.718 20 30 EHEDMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC(=O)N1 ZINC000329542430 1025982837 /nfs/dbraw/zinc/98/28/37/1025982837.db2.gz DWOUVBPBKAEOQJ-QZTJIDSGSA-N 1 1 343.471 3.754 20 30 EHEDMO CCCC[N@@H+](CCO)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000505859570 1026010814 /nfs/dbraw/zinc/01/08/14/1026010814.db2.gz YPLSJRNKQGOSMZ-UHFFFAOYSA-N 1 1 338.451 3.732 20 30 EHEDMO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2cnc3c(C#N)cnn3c2)o1 ZINC000516182905 1026073247 /nfs/dbraw/zinc/07/32/47/1026073247.db2.gz ZQWQOPGSANOKBQ-RDTXWAMCSA-N 1 1 349.438 3.730 20 30 EHEDMO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2cnc3c(C#N)cnn3c2)o1 ZINC000516182905 1026073260 /nfs/dbraw/zinc/07/32/60/1026073260.db2.gz ZQWQOPGSANOKBQ-RDTXWAMCSA-N 1 1 349.438 3.730 20 30 EHEDMO COc1nc(C)cc(C)c1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000329052472 1026108422 /nfs/dbraw/zinc/10/84/22/1026108422.db2.gz ACTDMPNNSTXEIM-KRWDZBQOSA-N 1 1 331.460 3.571 20 30 EHEDMO C#CC[N@@H+](CC)CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC001167572375 1026178067 /nfs/dbraw/zinc/17/80/67/1026178067.db2.gz NPBXRSLWZVDOSY-IBGZPJMESA-N 1 1 326.484 3.603 20 30 EHEDMO C#CC[N@H+](CC)CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC001167572375 1026178072 /nfs/dbraw/zinc/17/80/72/1026178072.db2.gz NPBXRSLWZVDOSY-IBGZPJMESA-N 1 1 326.484 3.603 20 30 EHEDMO C=CC[C@@H]1CC[N@H+]1Cc1oc(-c2ccccc2)nc1C(=O)OCC ZINC000934461617 1026234849 /nfs/dbraw/zinc/23/48/49/1026234849.db2.gz RUVVMQUDAOGUJM-OAHLLOKOSA-N 1 1 326.396 3.669 20 30 EHEDMO C=CC[C@@H]1CC[N@@H+]1Cc1oc(-c2ccccc2)nc1C(=O)OCC ZINC000934461617 1026234862 /nfs/dbraw/zinc/23/48/62/1026234862.db2.gz RUVVMQUDAOGUJM-OAHLLOKOSA-N 1 1 326.396 3.669 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000186325807 1026510277 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C#CCCCCC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000710306219 1027232393 /nfs/dbraw/zinc/23/23/93/1027232393.db2.gz DNQNYMOEUXWLBE-FHWLQOOXSA-N 1 1 326.484 3.690 20 30 EHEDMO C#CCCCCC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000710306228 1027233362 /nfs/dbraw/zinc/23/33/62/1027233362.db2.gz DNQNYMOEUXWLBE-OTWHNJEPSA-N 1 1 326.484 3.690 20 30 EHEDMO Cc1csc(C[C@H]2CC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)n1 ZINC000897299185 1027405237 /nfs/dbraw/zinc/40/52/37/1027405237.db2.gz WMSZXSFWTNHDCL-NVXWUHKLSA-N 1 1 341.480 3.807 20 30 EHEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1C ZINC000501773049 1027526245 /nfs/dbraw/zinc/52/62/45/1027526245.db2.gz KFMVVZKHOHMHCO-ZIAGYGMSSA-N 1 1 345.512 3.805 20 30 EHEDMO C#Cc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)nc1 ZINC000728814540 1027617981 /nfs/dbraw/zinc/61/79/81/1027617981.db2.gz DCHNZWGPIGIDJH-MRXNPFEDSA-N 1 1 333.435 3.547 20 30 EHEDMO CC[N@@H+](CCC1CCN(C(=O)C2(C#N)CCCCC2)CC1)CC1CC1 ZINC000536593575 1027640799 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3.679 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cc1OC ZINC000378639691 1038807165 /nfs/dbraw/zinc/80/71/65/1038807165.db2.gz UYDGRTWYOLAHND-IBGZPJMESA-N 1 1 338.451 3.720 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(CNCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000237533326 1038838842 /nfs/dbraw/zinc/83/88/42/1038838842.db2.gz LNFVKWDSYRMBFS-SJORKVTESA-N 1 1 329.488 3.578 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(CNCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000237533326 1038838859 /nfs/dbraw/zinc/83/88/59/1038838859.db2.gz LNFVKWDSYRMBFS-SJORKVTESA-N 1 1 329.488 3.578 20 30 EHEDMO C=CCCC(C)(C)NC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000663815074 1038898095 /nfs/dbraw/zinc/89/80/95/1038898095.db2.gz SQMYATXGFHIJRA-UHFFFAOYSA-N 1 1 344.434 3.864 20 30 EHEDMO N#Cc1cccc(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)c1F ZINC000512420597 1039080795 /nfs/dbraw/zinc/08/07/95/1039080795.db2.gz LYJNQZSACNGEPU-FQEVSTJZSA-N 1 1 338.426 3.959 20 30 EHEDMO C=CCSc1ccccc1C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000485458912 1039101983 /nfs/dbraw/zinc/10/19/83/1039101983.db2.gz ZXWSAXAEYRRORP-CVEARBPZSA-N 1 1 332.513 3.957 20 30 EHEDMO C=CCSc1ccccc1C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000485466107 1039115427 /nfs/dbraw/zinc/11/54/27/1039115427.db2.gz ORCZMNRKPXGMKL-CVEARBPZSA-N 1 1 332.513 3.815 20 30 EHEDMO N#Cc1cccc(CN2CCC[N@@H+](CC3CCCCC3)CC2)c1F ZINC000512439782 1039161111 /nfs/dbraw/zinc/16/11/11/1039161111.db2.gz WSGOCRKELSQMSA-UHFFFAOYSA-N 1 1 329.463 3.785 20 30 EHEDMO C[C@H](C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H](C)CO)c1ccccc1 ZINC000554284450 1039162394 /nfs/dbraw/zinc/16/23/94/1039162394.db2.gz PRYFZJBTKQNEFI-CVEARBPZSA-N 1 1 326.415 3.684 20 30 EHEDMO CCC(CC)C[N@H+](CCC#N)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000488428824 1039172097 /nfs/dbraw/zinc/17/20/97/1039172097.db2.gz LOUGUBMKEXVGOD-UHFFFAOYSA-N 1 1 344.455 3.682 20 30 EHEDMO CCC(CC)C[N@@H+](CCC#N)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000488428824 1039172112 /nfs/dbraw/zinc/17/21/12/1039172112.db2.gz LOUGUBMKEXVGOD-UHFFFAOYSA-N 1 1 344.455 3.682 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC000432805640 1039289446 /nfs/dbraw/zinc/28/94/46/1039289446.db2.gz PURLVVIFUNEVPD-UHFFFAOYSA-N 1 1 337.398 3.691 20 30 EHEDMO C[C@H]1[C@@H](CO)CC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000488747275 1039381477 /nfs/dbraw/zinc/38/14/77/1039381477.db2.gz OHSHEIOFGCDXIW-RBUKOAKNSA-N 1 1 334.463 3.589 20 30 EHEDMO C=CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000489052147 1039570735 /nfs/dbraw/zinc/57/07/35/1039570735.db2.gz ZJWMYZOUVZWONM-VQTJNVASSA-N 1 1 326.484 3.727 20 30 EHEDMO CC(C)(C#N)CCC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000310353534 1039796307 /nfs/dbraw/zinc/79/63/07/1039796307.db2.gz HSRIGYJUZDPKNW-PMACEKPBSA-N 1 1 325.500 3.770 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000310353534 1039796324 /nfs/dbraw/zinc/79/63/24/1039796324.db2.gz HSRIGYJUZDPKNW-PMACEKPBSA-N 1 1 325.500 3.770 20 30 EHEDMO CC(C)(C#N)CCC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000310353536 1039797550 /nfs/dbraw/zinc/79/75/50/1039797550.db2.gz HSRIGYJUZDPKNW-VQTJNVASSA-N 1 1 325.500 3.770 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000310353536 1039797567 /nfs/dbraw/zinc/79/75/67/1039797567.db2.gz HSRIGYJUZDPKNW-VQTJNVASSA-N 1 1 325.500 3.770 20 30 EHEDMO C[C@H](C#N)C[N@@H+](CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C1CC1 ZINC000894084697 1040040263 /nfs/dbraw/zinc/04/02/63/1040040263.db2.gz MZVJNGIIKMXYLP-DUZACMNTSA-N 1 1 347.503 3.789 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000237505214 1040047471 /nfs/dbraw/zinc/04/74/71/1040047471.db2.gz AFWUUMWIAPBUJN-PGRDOPGGSA-N 1 1 349.478 3.904 20 30 EHEDMO N#CCc1ccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c(Cl)c1 ZINC000569437059 1040140376 /nfs/dbraw/zinc/14/03/76/1040140376.db2.gz PRSBQCCPFQDRKO-OAHLLOKOSA-N 1 1 345.874 3.999 20 30 EHEDMO C=CCC(C)(C)CNC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000489767177 1040199133 /nfs/dbraw/zinc/19/91/33/1040199133.db2.gz MLGSMXZCKQMBLV-IRXDYDNUSA-N 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1040309066 /nfs/dbraw/zinc/30/90/66/1040309066.db2.gz FPIBRNUPVCMPGL-UHFFFAOYSA-N 1 1 340.423 3.808 20 30 EHEDMO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)oc1C ZINC000614160133 1040309077 /nfs/dbraw/zinc/30/90/77/1040309077.db2.gz FPIBRNUPVCMPGL-UHFFFAOYSA-N 1 1 340.423 3.808 20 30 EHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000614160768 1040310381 /nfs/dbraw/zinc/31/03/81/1040310381.db2.gz DORXUWFHOAXKBA-HDICACEKSA-N 1 1 337.854 3.780 20 30 EHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000614160768 1040310400 /nfs/dbraw/zinc/31/04/00/1040310400.db2.gz DORXUWFHOAXKBA-HDICACEKSA-N 1 1 337.854 3.780 20 30 EHEDMO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000614170688 1040357460 /nfs/dbraw/zinc/35/74/60/1040357460.db2.gz JCRWEIUKTXWKAL-UHFFFAOYSA-N 1 1 336.435 3.906 20 30 EHEDMO Cc1ccc([C@H](CN[C@@H](C)c2ccc(C#N)cc2F)[NH+](C)C)cc1 ZINC000512671788 1040481181 /nfs/dbraw/zinc/48/11/81/1040481181.db2.gz GZFWXQBWYLRSIX-YWZLYKJASA-N 1 1 325.431 3.959 20 30 EHEDMO C=C(C)C[N@H+](C)CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000481223603 1040515983 /nfs/dbraw/zinc/51/59/83/1040515983.db2.gz FPNKNINDEUIZKT-OAQYLSRUSA-N 1 1 340.442 3.881 20 30 EHEDMO N#CC1(c2ccc(N[C@@H]3CCC[N@@H+](C4COC4)C3)cc2)CCCCC1 ZINC001168372073 1040684536 /nfs/dbraw/zinc/68/45/36/1040684536.db2.gz JADCLUIAZAWERX-LJQANCHMSA-N 1 1 339.483 3.687 20 30 EHEDMO N#CC1(c2ccc(N[C@@H]3CCC[N@H+](C4COC4)C3)cc2)CCCCC1 ZINC001168372073 1040684547 /nfs/dbraw/zinc/68/45/47/1040684547.db2.gz JADCLUIAZAWERX-LJQANCHMSA-N 1 1 339.483 3.687 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ncc(C(F)(F)F)cc1C#N ZINC001167752405 1040828520 /nfs/dbraw/zinc/82/85/20/1040828520.db2.gz VDIBDZVMCASMOS-GFCCVEGCSA-N 1 1 326.366 3.648 20 30 EHEDMO CCC(CC)CN(CCC#N)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000487279733 1040874824 /nfs/dbraw/zinc/87/48/24/1040874824.db2.gz PPXWDUYGJWTROG-GOSISDBHSA-N 1 1 333.520 3.819 20 30 EHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000053580492 1040916883 /nfs/dbraw/zinc/91/68/83/1040916883.db2.gz XJAWHXHMESZSJA-YOEHRIQHSA-N 1 1 336.395 3.714 20 30 EHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(O)cc(C#N)c3)cc2)C1 ZINC000614296720 1040945537 /nfs/dbraw/zinc/94/55/37/1040945537.db2.gz PKGATDUAJKKLIT-HNNXBMFYSA-N 1 1 349.434 3.748 20 30 EHEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000481609049 1041137185 /nfs/dbraw/zinc/13/71/85/1041137185.db2.gz NATRGLJGQIYTBZ-GOSISDBHSA-N 1 1 334.341 3.949 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000433305263 1041247477 /nfs/dbraw/zinc/24/74/77/1041247477.db2.gz PGFVNNVLDXJJJQ-MRXNPFEDSA-N 1 1 339.826 3.640 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000433305263 1041247486 /nfs/dbraw/zinc/24/74/86/1041247486.db2.gz PGFVNNVLDXJJJQ-MRXNPFEDSA-N 1 1 339.826 3.640 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)c1C ZINC000419336767 1041403071 /nfs/dbraw/zinc/40/30/71/1041403071.db2.gz AOQKCGQVHJTRBF-XYJFISCASA-N 1 1 327.472 3.526 20 30 EHEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(CC#N)cc1 ZINC000469048039 1041435290 /nfs/dbraw/zinc/43/52/90/1041435290.db2.gz TXNDAQKNNYJMDG-OAQYLSRUSA-N 1 1 349.478 3.639 20 30 EHEDMO C=CCC(C)(C)CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000432087328 1041568966 /nfs/dbraw/zinc/56/89/66/1041568966.db2.gz CZCDFNCJDDLXBT-IEBWSBKVSA-N 1 1 343.515 3.941 20 30 EHEDMO CCc1nc(C#N)cc(N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000709619945 1041851257 /nfs/dbraw/zinc/85/12/57/1041851257.db2.gz RRMAKOUJUSWVHN-SFHVURJKSA-N 1 1 349.482 3.767 20 30 EHEDMO C=CCOc1c(Br)cc(C[NH+]2CCCC2)cc1OC ZINC000123912904 1041936141 /nfs/dbraw/zinc/93/61/41/1041936141.db2.gz XXYXAFXKHGHUPL-UHFFFAOYSA-N 1 1 326.234 3.618 20 30 EHEDMO C=CC[N@@H+](Cc1cncc(OCc2ccccc2)c1)[C@H](C)COC ZINC000661240806 1042023747 /nfs/dbraw/zinc/02/37/47/1042023747.db2.gz RNHYWFVQIQLMSR-QGZVFWFLSA-N 1 1 326.440 3.684 20 30 EHEDMO 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1122900762 /nfs/dbraw/zinc/90/07/62/1122900762.db2.gz NUNJZUHICPHAJX-HNNXBMFYSA-N 1 1 331.485 3.773 20 30 EHEDMO C=CCC(C)(C)C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000556931755 1123213761 /nfs/dbraw/zinc/21/37/61/1123213761.db2.gz HPCVSJNRDJRFLA-QGZVFWFLSA-N 1 1 326.440 3.829 20 30 EHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000609384945 1123567602 /nfs/dbraw/zinc/56/76/02/1123567602.db2.gz YJFUHYHOEIDLTI-LSDHHAIUSA-N 1 1 331.485 3.751 20 30 EHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000609384945 1123567605 /nfs/dbraw/zinc/56/76/05/1123567605.db2.gz YJFUHYHOEIDLTI-LSDHHAIUSA-N 1 1 331.485 3.751 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)N2CC[C@H](C[N@H+](C)CCC)C2)c1 ZINC000080186899 1123744266 /nfs/dbraw/zinc/74/42/66/1123744266.db2.gz DVTVRQICFRCNBQ-QGZVFWFLSA-N 1 1 345.487 3.837 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000615442826 1123800348 /nfs/dbraw/zinc/80/03/48/1123800348.db2.gz SPNHFAKSHWSUKK-IERDGZPVSA-N 1 1 348.425 3.641 20 30 EHEDMO CC(C)c1cc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)on1 ZINC000114510772 1129153788 /nfs/dbraw/zinc/15/37/88/1129153788.db2.gz BTYKJBXEYCQRLI-UHFFFAOYSA-N 1 1 349.438 3.865 20 30 EHEDMO N#Cc1csc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000180804641 1124080328 /nfs/dbraw/zinc/08/03/28/1124080328.db2.gz FFXGJDAXGOSTPG-LBPRGKRZSA-N 1 1 340.374 3.672 20 30 EHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(F)cc1F ZINC000069071107 1124100715 /nfs/dbraw/zinc/10/07/15/1124100715.db2.gz CMWYQHUMTCPGGF-IBGZPJMESA-N 1 1 330.378 3.780 20 30 EHEDMO CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000247266848 1124601920 /nfs/dbraw/zinc/60/19/20/1124601920.db2.gz XQGZZQIPIMLKCD-CVEARBPZSA-N 1 1 345.512 3.999 20 30 EHEDMO CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000247266848 1124601922 /nfs/dbraw/zinc/60/19/22/1124601922.db2.gz XQGZZQIPIMLKCD-CVEARBPZSA-N 1 1 345.512 3.999 20 30 EHEDMO C=C(C)CN(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000089934229 1124875630 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3.775 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000619073607 1125272206 /nfs/dbraw/zinc/27/22/06/1125272206.db2.gz LWMFEDVEXQFZQU-KRWDZBQOSA-N 1 1 344.462 3.918 20 30 EHEDMO C=CCC1(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)CCCC1 ZINC000619104785 1125282574 /nfs/dbraw/zinc/28/25/74/1125282574.db2.gz WKMFDOYNQUWVIL-UHFFFAOYSA-N 1 1 347.528 3.669 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000619532292 1125358719 /nfs/dbraw/zinc/35/87/19/1125358719.db2.gz AKIXAWYCOVLZQP-UHFFFAOYSA-N 1 1 342.446 3.902 20 30 EHEDMO C[C@H](C#N)Oc1ccc(CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183099828 1125443614 /nfs/dbraw/zinc/44/36/14/1125443614.db2.gz XLQHXDUPSSAELN-ZHALLVOQSA-N 1 1 341.499 3.720 20 30 EHEDMO C[C@H](C#N)Oc1ccc(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183099828 1125443615 /nfs/dbraw/zinc/44/36/15/1125443615.db2.gz XLQHXDUPSSAELN-ZHALLVOQSA-N 1 1 341.499 3.720 20 30 EHEDMO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000115595381 1129277827 /nfs/dbraw/zinc/27/78/27/1129277827.db2.gz XHJBDPMEEFTVAD-VBKZILBWSA-N 1 1 329.403 3.589 20 30 EHEDMO CC(N=Nc1c(F)cccc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735615331 1131363748 /nfs/dbraw/zinc/36/37/48/1131363748.db2.gz NAILVYNZLQLSDE-SFHVURJKSA-N 1 1 345.393 3.654 20 30 EHEDMO CC(N=Nc1c(F)cccc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735615331 1131363753 /nfs/dbraw/zinc/36/37/53/1131363753.db2.gz NAILVYNZLQLSDE-SFHVURJKSA-N 1 1 345.393 3.654 20 30 EHEDMO COc1cc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)ccc1C#N ZINC000282349960 1129463392 /nfs/dbraw/zinc/46/33/92/1129463392.db2.gz PEOYIYGHYOQTMR-UHFFFAOYSA-N 1 1 334.419 3.662 20 30 EHEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccc(C#N)o1 ZINC000092078276 1129531805 /nfs/dbraw/zinc/53/18/05/1129531805.db2.gz BLTLWXURXRTGNX-UHFFFAOYSA-N 1 1 338.386 3.745 20 30 EHEDMO Cc1nn(C)cc1C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000092128726 1129533745 /nfs/dbraw/zinc/53/37/45/1129533745.db2.gz LCMYCXUVWZBEKQ-UHFFFAOYSA-N 1 1 348.425 3.942 20 30 EHEDMO Cc1nn(C)cc1C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000092128726 1129533746 /nfs/dbraw/zinc/53/37/46/1129533746.db2.gz LCMYCXUVWZBEKQ-UHFFFAOYSA-N 1 1 348.425 3.942 20 30 EHEDMO N#Cc1ccc(F)c(C[NH+]2CCC(OCCc3ccccc3)CC2)c1 ZINC000125718844 1129711920 /nfs/dbraw/zinc/71/19/20/1129711920.db2.gz RIKXBNNYQRFEAI-UHFFFAOYSA-N 1 1 338.426 3.921 20 30 EHEDMO N#Cc1ccccc1C[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000555878903 1129761124 /nfs/dbraw/zinc/76/11/24/1129761124.db2.gz QLJHEVILWJNPLB-UHFFFAOYSA-N 1 1 327.815 3.650 20 30 EHEDMO N#Cc1csc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000162547250 1129859570 /nfs/dbraw/zinc/85/95/70/1129859570.db2.gz CQDCVXMKODWZMZ-INIZCTEOSA-N 1 1 326.421 3.728 20 30 EHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2ccsc2)CC1 ZINC000186933058 1129918244 /nfs/dbraw/zinc/91/82/44/1129918244.db2.gz KECLGHKVGJDEQL-AWEZNQCLSA-N 1 1 339.464 3.826 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000133123161 1129933077 /nfs/dbraw/zinc/93/30/77/1129933077.db2.gz HAAIILVJJQNICJ-UHFFFAOYSA-N 1 1 335.451 3.507 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(CCOC)CC1 ZINC000625631842 1129960984 /nfs/dbraw/zinc/96/09/84/1129960984.db2.gz PSZGNCVOFIMJCJ-UHFFFAOYSA-N 1 1 348.512 3.652 20 30 EHEDMO CCC[N@@H+]1Cc2cccc(NC(=O)CCc3ccc(C#N)cc3)c2C1 ZINC000171308274 1130044946 /nfs/dbraw/zinc/04/49/46/1130044946.db2.gz VPLWHJMWZOSVQR-UHFFFAOYSA-N 1 1 333.435 3.855 20 30 EHEDMO CCC[N@H+]1Cc2cccc(NC(=O)CCc3ccc(C#N)cc3)c2C1 ZINC000171308274 1130044953 /nfs/dbraw/zinc/04/49/53/1130044953.db2.gz VPLWHJMWZOSVQR-UHFFFAOYSA-N 1 1 333.435 3.855 20 30 EHEDMO CC[N@@H+](CC(=O)NCc1cccc(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000171918273 1130097602 /nfs/dbraw/zinc/09/76/02/1130097602.db2.gz QKACIKJZDDEQQX-QGZVFWFLSA-N 1 1 335.451 3.566 20 30 EHEDMO CCN1CCC([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000766111830 1130326153 /nfs/dbraw/zinc/32/61/53/1130326153.db2.gz GLLVBCFFQWDTKB-UHFFFAOYSA-N 1 1 325.481 3.861 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245952265 1130334495 /nfs/dbraw/zinc/33/44/95/1130334495.db2.gz PLXACOIYQAIVHQ-PXNSSMCTSA-N 1 1 347.462 3.650 20 30 EHEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246343735 1130373927 /nfs/dbraw/zinc/37/39/27/1130373927.db2.gz JHOATNCNAMENAS-FCEWJHQRSA-N 1 1 327.472 3.636 20 30 EHEDMO CN(C)c1[nH+]ccc2cc(NC(=O)CC#Cc3ccccc3)ccc21 ZINC001129120075 1130506285 /nfs/dbraw/zinc/50/62/85/1130506285.db2.gz JJHJRIXVZXFKFZ-UHFFFAOYSA-N 1 1 329.403 3.681 20 30 EHEDMO C=CCSc1nc2ccccc2n1CN1CCC[N@H+](C(C)C)CC1 ZINC000727826142 1130597855 /nfs/dbraw/zinc/59/78/55/1130597855.db2.gz MEHYSDAEBIUFPY-UHFFFAOYSA-N 1 1 344.528 3.688 20 30 EHEDMO Cc1[nH+]ccn1CCCC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000731025855 1130761618 /nfs/dbraw/zinc/76/16/18/1130761618.db2.gz OXLNOPKWTXLRMZ-CQSZACIVSA-N 1 1 342.468 3.862 20 30 EHEDMO CC[NH+](CC)[C@H](C(=O)OCc1cc(C#N)ccc1F)c1ccccc1 ZINC000731907154 1130860560 /nfs/dbraw/zinc/86/05/60/1130860560.db2.gz GBUADKUSTBJZIM-IBGZPJMESA-N 1 1 340.398 3.824 20 30 EHEDMO C=CC[N@H+](CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3)C(C)C ZINC000732197799 1130892007 /nfs/dbraw/zinc/89/20/07/1130892007.db2.gz NTPVINNSRDGQQN-CYBMUJFWSA-N 1 1 344.528 3.837 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@H]2CN2CCCC2)c1O ZINC000738103978 1131463048 /nfs/dbraw/zinc/46/30/48/1131463048.db2.gz IVPBYZNFIIOXGA-IBGZPJMESA-N 1 1 344.499 3.580 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@H]2CN2CCCC2)c1O ZINC000738103978 1131463050 /nfs/dbraw/zinc/46/30/50/1131463050.db2.gz IVPBYZNFIIOXGA-IBGZPJMESA-N 1 1 344.499 3.580 20 30 EHEDMO CC[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@H](C)C(C)C ZINC000741788282 1131647708 /nfs/dbraw/zinc/64/77/08/1131647708.db2.gz RFYSEYHQTWWZHY-GDBMZVCRSA-N 1 1 336.439 3.590 20 30 EHEDMO CC(C)COCC[C@@H](C)[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001172475441 1131736175 /nfs/dbraw/zinc/73/61/75/1131736175.db2.gz IXVXHBBBVHUUGO-XLIONFOSSA-N 1 1 330.472 3.853 20 30 EHEDMO C[C@H](CCCC#N)[N@@H+](C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001172509996 1131763678 /nfs/dbraw/zinc/76/36/78/1131763678.db2.gz UHXNLGVIRIJKFS-WBVHZDCISA-N 1 1 335.492 3.933 20 30 EHEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001172509846 1131763956 /nfs/dbraw/zinc/76/39/56/1131763956.db2.gz RVHKLXOBLLIDSS-RDJZCZTQSA-N 1 1 326.444 3.581 20 30 EHEDMO N#CC1(c2ccc(Nc3ccc(C[NH+]4CC(O)C4)cc3)cc2)CCCC1 ZINC001212670226 1131780347 /nfs/dbraw/zinc/78/03/47/1131780347.db2.gz NJVBNRCLIGGSTQ-UHFFFAOYSA-N 1 1 347.462 3.942 20 30 EHEDMO CCOc1ccc(/C=N\[C@H](Cc2[nH+]ccn2C)c2ccccc2)c(O)c1 ZINC000743044159 1131842346 /nfs/dbraw/zinc/84/23/46/1131842346.db2.gz FZPBGGZHSCTDSZ-IQJJTXKVSA-N 1 1 349.434 3.927 20 30 EHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000743397900 1131911165 /nfs/dbraw/zinc/91/11/65/1131911165.db2.gz DODLLRNMCMASJM-ROUUACIJSA-N 1 1 340.496 3.985 20 30 EHEDMO C[C@@H]1CCC[N@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C[C@@H]1C 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C#CCN(C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)C1CC1 ZINC001194435444 1135273288 /nfs/dbraw/zinc/27/32/88/1135273288.db2.gz HRAOMVXBFBMMJE-JOCHJYFZSA-N 1 1 332.491 4.000 20 30 EHEDMO OCC1([N@@H+](CC#Cc2ccc(F)cc2)Cc2ccccc2)CCCC1 ZINC001194648085 1135297117 /nfs/dbraw/zinc/29/71/17/1135297117.db2.gz FRSGULQKTYOZIV-UHFFFAOYSA-N 1 1 337.438 3.985 20 30 EHEDMO C#C[C@@H](CC)NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000806135353 1135390337 /nfs/dbraw/zinc/39/03/37/1135390337.db2.gz JBELAGKOINGSIX-KRWDZBQOSA-N 1 1 327.472 3.984 20 30 EHEDMO C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001170501089 1135410956 /nfs/dbraw/zinc/41/09/56/1135410956.db2.gz MPACZRJSUOLCJZ-HNNXBMFYSA-N 1 1 325.843 3.922 20 30 EHEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC001195946591 1135498649 /nfs/dbraw/zinc/49/86/49/1135498649.db2.gz KXUXKRYPSHHUJY-KGLIPLIRSA-N 1 1 331.847 3.827 20 30 EHEDMO COc1cccc(O)c1/C=N/C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000747362058 1135499184 /nfs/dbraw/zinc/49/91/84/1135499184.db2.gz KUENMHUQUHTZOZ-RVZJCZPVSA-N 1 1 344.480 3.793 20 30 EHEDMO CC(C)([NH2+]Cc1ccn(-c2cccc(F)c2)n1)c1cccc(C#N)c1 ZINC001196039054 1135511156 /nfs/dbraw/zinc/51/11/56/1135511156.db2.gz JUJRGEKOVXNUTL-UHFFFAOYSA-N 1 1 334.398 3.908 20 30 EHEDMO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC1CCC(C#N)CC1 ZINC001196168221 1135526904 /nfs/dbraw/zinc/52/69/04/1135526904.db2.gz UJMZJXCONOWDQN-ABHNRTSZSA-N 1 1 349.519 3.894 20 30 EHEDMO C=CC[N@H+](CC(=O)N[C@@H](CC)c1ccccc1OCC)C(C)(C)C ZINC001196198450 1135529947 /nfs/dbraw/zinc/52/99/47/1135529947.db2.gz LVLABHAETMJYLA-KRWDZBQOSA-N 1 1 332.488 3.939 20 30 EHEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1ccc(O)cc1)c1ccc(F)c(F)c1 ZINC000775723748 1135578781 /nfs/dbraw/zinc/57/87/81/1135578781.db2.gz LZHNRKRJGBKMEP-SFHVURJKSA-N 1 1 332.350 3.516 20 30 EHEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001197113658 1135651520 /nfs/dbraw/zinc/65/15/20/1135651520.db2.gz ARQHBBWTRDFWPM-SFHVURJKSA-N 1 1 348.368 3.785 20 30 EHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC001197177476 1135656760 /nfs/dbraw/zinc/65/67/60/1135656760.db2.gz RADCOUKEKNEDJG-GOSISDBHSA-N 1 1 328.456 3.871 20 30 EHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC001197177476 1135656763 /nfs/dbraw/zinc/65/67/63/1135656763.db2.gz RADCOUKEKNEDJG-GOSISDBHSA-N 1 1 328.456 3.871 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3CCC3)CC2)c(C#N)c1C ZINC001197204507 1135659442 /nfs/dbraw/zinc/65/94/42/1135659442.db2.gz ZDTFUHAKNDRVHJ-PBHICJAKSA-N 1 1 343.471 3.997 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C3CCC3)CC2)c(C#N)c1C ZINC001197204507 1135659445 /nfs/dbraw/zinc/65/94/45/1135659445.db2.gz ZDTFUHAKNDRVHJ-PBHICJAKSA-N 1 1 343.471 3.997 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2nc3ccccc3n2-c2ccc(OC)cc2)C1 ZINC001197701234 1135727240 /nfs/dbraw/zinc/72/72/40/1135727240.db2.gz FZQYNFRPKMXJGC-KRWDZBQOSA-N 1 1 345.446 3.879 20 30 EHEDMO C#CC[C@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC001197701475 1135727364 /nfs/dbraw/zinc/72/73/64/1135727364.db2.gz JTYNRKBYEANQNB-IBGZPJMESA-N 1 1 332.447 3.565 20 30 EHEDMO C#CC[C@H]([NH2+]Cc1cc2c(cc1Cl)OCCO2)c1ccccc1 ZINC000808744225 1135734282 /nfs/dbraw/zinc/73/42/82/1135734282.db2.gz XGEGBHYFGUKMCW-KRWDZBQOSA-N 1 1 327.811 3.965 20 30 EHEDMO CC[NH+](CC)[C@@H](C(=O)OC[C@H]1CC[C@@H](C#N)CC1)c1ccccc1 ZINC000809087995 1135775859 /nfs/dbraw/zinc/77/58/59/1135775859.db2.gz RMRKWDXZVHUZPZ-ZIFCJYIRSA-N 1 1 328.456 3.943 20 30 EHEDMO C=CCC[C@H]1CCC[N@@H+]1CC(=O)N(C)c1nc2ccccc2s1 ZINC001198414282 1135812476 /nfs/dbraw/zinc/81/24/76/1135812476.db2.gz KSIWYVCEGKWUNW-AWEZNQCLSA-N 1 1 329.469 3.690 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1 ZINC000809575750 1135852619 /nfs/dbraw/zinc/85/26/19/1135852619.db2.gz CVIQGIJODLHLQX-QFBILLFUSA-N 1 1 342.483 3.793 20 30 EHEDMO C#Cc1ccc(C[N@H+](C)C2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000809592616 1135859163 /nfs/dbraw/zinc/85/91/63/1135859163.db2.gz PJPCNIYNGOUDPE-UHFFFAOYSA-N 1 1 342.483 3.936 20 30 EHEDMO C#CC[N@H+](Cc1c[nH]nc1-c1cccc(OC)c1)Cc1ccccc1 ZINC000809715375 1135876833 /nfs/dbraw/zinc/87/68/33/1135876833.db2.gz AMMLTOWJVRHDRF-UHFFFAOYSA-N 1 1 331.419 3.721 20 30 EHEDMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000809724146 1135878757 /nfs/dbraw/zinc/87/87/57/1135878757.db2.gz WPNDBXKSTYCLSE-AWEZNQCLSA-N 1 1 349.500 3.889 20 30 EHEDMO C=CCOc1ccc(CNC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC001199295603 1135893692 /nfs/dbraw/zinc/89/36/92/1135893692.db2.gz KLDOROCCVZVZNJ-IRXDYDNUSA-N 1 1 332.488 3.613 20 30 EHEDMO C=CCOc1ccc(CNC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1OC ZINC001199295603 1135893696 /nfs/dbraw/zinc/89/36/96/1135893696.db2.gz KLDOROCCVZVZNJ-IRXDYDNUSA-N 1 1 332.488 3.613 20 30 EHEDMO C[C@H]([NH2+]Cc1nc(C#N)cs1)[C@H](O)c1c(Cl)cccc1Cl ZINC000810147987 1135931247 /nfs/dbraw/zinc/93/12/47/1135931247.db2.gz UIEXQFHABBTPPF-RTHLEPHNSA-N 1 1 342.251 3.533 20 30 EHEDMO N#Cc1csc(C[NH2+]C[C@@H](O)c2ccc(-c3ccccc3)cc2)n1 ZINC000810152831 1135932038 /nfs/dbraw/zinc/93/20/38/1135932038.db2.gz CWTHXMGHLDYMOT-GOSISDBHSA-N 1 1 335.432 3.505 20 30 EHEDMO C[C@@H]1C[N@H+]([C@H]2CCC[C@@H](C#N)C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810246262 1135947605 /nfs/dbraw/zinc/94/76/05/1135947605.db2.gz LVBOYHYBWYDNIJ-OAFZBRQQSA-N 1 1 335.492 3.551 20 30 EHEDMO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1C[C@@H](C)CCC=C(C)C ZINC001201485544 1136026809 /nfs/dbraw/zinc/02/68/09/1136026809.db2.gz IWENKNRRHKXJPG-HKUYNNGSSA-N 1 1 346.519 3.782 20 30 EHEDMO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1C[C@@H](C)CCC=C(C)C ZINC001201485544 1136026813 /nfs/dbraw/zinc/02/68/13/1136026813.db2.gz IWENKNRRHKXJPG-HKUYNNGSSA-N 1 1 346.519 3.782 20 30 EHEDMO N#Cc1cccc(N)c1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201483369 1136033113 /nfs/dbraw/zinc/03/31/13/1136033113.db2.gz XAAOJWXXDALERY-MOPGFXCFSA-N 1 1 330.435 3.873 20 30 EHEDMO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1C[C@H](CC)CCCC ZINC001201560590 1136040723 /nfs/dbraw/zinc/04/07/23/1136040723.db2.gz UPXFWNGKDCCECJ-AEFFLSMTSA-N 1 1 334.508 3.616 20 30 EHEDMO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1C[C@H](CC)CCCC ZINC001201560590 1136040727 /nfs/dbraw/zinc/04/07/27/1136040727.db2.gz UPXFWNGKDCCECJ-AEFFLSMTSA-N 1 1 334.508 3.616 20 30 EHEDMO CCCCCCC[N@@H+]1CCO[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001201762299 1136060492 /nfs/dbraw/zinc/06/04/92/1136060492.db2.gz DYFMHYQZTJGAPS-IRXDYDNUSA-N 1 1 340.508 3.667 20 30 EHEDMO CCCCCCC[N@H+]1CCO[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001201762299 1136060493 /nfs/dbraw/zinc/06/04/93/1136060493.db2.gz DYFMHYQZTJGAPS-IRXDYDNUSA-N 1 1 340.508 3.667 20 30 EHEDMO CCCCCCC[N@H+]1C[C@H](c2ccccc2)[C@]2(CCN(C)C2=O)C1 ZINC001201762445 1136060572 /nfs/dbraw/zinc/06/05/72/1136060572.db2.gz LGCFBKYEPIDLPI-CTNGQTDRSA-N 1 1 328.500 3.905 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@H]2[C@H]1CC(=O)N2Cc1csc(C)n1 ZINC001201776779 1136065506 /nfs/dbraw/zinc/06/55/06/1136065506.db2.gz KZRVDYZNXCRTLP-DLBZAZTESA-N 1 1 335.517 3.597 20 30 EHEDMO CCCCCCCCCC[N@H+]1C[C@@H]2COC[C@]2(c2nc(C)no2)C1 ZINC001201874956 1136072090 /nfs/dbraw/zinc/07/20/90/1136072090.db2.gz MKWVDYBDWDQUNN-IEBWSBKVSA-N 1 1 335.492 3.719 20 30 EHEDMO C[N@H+](Cc1ccccc1)[C@H](CNCc1csc(C#N)c1)C1CC1 ZINC001202102807 1136094497 /nfs/dbraw/zinc/09/44/97/1136094497.db2.gz XJUYUWRAIPWACO-LJQANCHMSA-N 1 1 325.481 3.620 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@H](CNCc1csc(C#N)c1)C1CC1 ZINC001202102807 1136094501 /nfs/dbraw/zinc/09/45/01/1136094501.db2.gz XJUYUWRAIPWACO-LJQANCHMSA-N 1 1 325.481 3.620 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2COC(=O)NC2CCCC2)s1 ZINC000811511239 1136101972 /nfs/dbraw/zinc/10/19/72/1136101972.db2.gz WEESHJJFOSYZIM-HNNXBMFYSA-N 1 1 347.484 3.643 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CCCC2)s1 ZINC000811511239 1136101976 /nfs/dbraw/zinc/10/19/76/1136101976.db2.gz WEESHJJFOSYZIM-HNNXBMFYSA-N 1 1 347.484 3.643 20 30 EHEDMO Cc1nc(Cl)cc(N=NC2CC[N@@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000811642820 1136115860 /nfs/dbraw/zinc/11/58/60/1136115860.db2.gz HOBWXAAWZKKKOB-GFCCVEGCSA-N 1 1 329.835 3.501 20 30 EHEDMO Cc1cccc(NC(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)c1 ZINC001202320946 1136129107 /nfs/dbraw/zinc/12/91/07/1136129107.db2.gz NWMLWHUKCLKXKH-UHFFFAOYSA-N 1 1 348.450 3.653 20 30 EHEDMO C#CC1(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CCCC1 ZINC001133024597 1136141564 /nfs/dbraw/zinc/14/15/64/1136141564.db2.gz ZRFCVQLWGDSOPC-UHFFFAOYSA-N 1 1 346.474 3.994 20 30 EHEDMO CC(C)(C#N)CCOC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000776386663 1136173312 /nfs/dbraw/zinc/17/33/12/1136173312.db2.gz LAXBCUXHXKLWHX-INIZCTEOSA-N 1 1 332.419 3.521 20 30 EHEDMO C=CCCO[C@@H](C)C(=O)OC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000747771672 1136182352 /nfs/dbraw/zinc/18/23/52/1136182352.db2.gz DNHLVTRJTHJAHM-PXNSSMCTSA-N 1 1 331.456 3.566 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000747792486 1136218993 /nfs/dbraw/zinc/21/89/93/1136218993.db2.gz SOWRNVBZCLVRDJ-PZJWPPBQSA-N 1 1 336.435 3.655 20 30 EHEDMO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850372999 1136243947 /nfs/dbraw/zinc/24/39/47/1136243947.db2.gz CDSRWNZTVKCUOB-QZTJIDSGSA-N 1 1 327.811 3.620 20 30 EHEDMO C=CC[NH+]1CCN(Cc2cc(C(F)(F)F)cc(Cl)c2F)CC1 ZINC001137989085 1136302385 /nfs/dbraw/zinc/30/23/85/1136302385.db2.gz PHAQXBJBJCPDOD-UHFFFAOYSA-N 1 1 336.760 3.802 20 30 EHEDMO C[C@H](CN=Cc1cc2ccccc2[nH]c1=O)[N@@H+](C)Cc1ccccc1 ZINC000110129379 1136399212 /nfs/dbraw/zinc/39/92/12/1136399212.db2.gz GFINQGPQMLLSGM-CAUNFOBBSA-N 1 1 333.435 3.880 20 30 EHEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000851803801 1136409117 /nfs/dbraw/zinc/40/91/17/1136409117.db2.gz UQVNFNKJBDYJDC-ZWKOTPCHSA-N 1 1 326.465 3.750 20 30 EHEDMO C=CCOc1ccc(C[N@H+](C[C@H](O)c2ccccn2)C(C)(C)C)cc1 ZINC000851811393 1136410007 /nfs/dbraw/zinc/41/00/07/1136410007.db2.gz NXAHKZOBHDELPH-FQEVSTJZSA-N 1 1 340.467 3.981 20 30 EHEDMO CO[C@H](C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)C1CCCCC1 ZINC000851882292 1136415341 /nfs/dbraw/zinc/41/53/41/1136415341.db2.gz XZOVBHPASJZUQA-WOJBJXKFSA-N 1 1 328.456 3.527 20 30 EHEDMO CO[C@H](C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)C1CCCCC1 ZINC000851882292 1136415342 /nfs/dbraw/zinc/41/53/42/1136415342.db2.gz XZOVBHPASJZUQA-WOJBJXKFSA-N 1 1 328.456 3.527 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)COc1ccccc1Cl ZINC000216901340 1136432509 /nfs/dbraw/zinc/43/25/09/1136432509.db2.gz CKMKLUPOMBEHEQ-CQSZACIVSA-N 1 1 337.872 3.829 20 30 EHEDMO C#C[C@](C)(CC)[NH2+]Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000852100800 1136433685 /nfs/dbraw/zinc/43/36/85/1136433685.db2.gz JFELTRMKUCHIIW-LJQANCHMSA-N 1 1 341.480 3.524 20 30 EHEDMO CCc1oc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1C(=O)OC ZINC000338945108 1136456567 /nfs/dbraw/zinc/45/65/67/1136456567.db2.gz LNMFVCKUFGWDTE-UHFFFAOYSA-N 1 1 340.423 3.911 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852739360 1136482573 /nfs/dbraw/zinc/48/25/73/1136482573.db2.gz VFWIGGWGMKJXFX-KBRIMQKVSA-N 1 1 347.434 3.556 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852739360 1136482575 /nfs/dbraw/zinc/48/25/75/1136482575.db2.gz VFWIGGWGMKJXFX-KBRIMQKVSA-N 1 1 347.434 3.556 20 30 EHEDMO Cc1ccc([N+](=O)[O-])cc1N=NC(C)c1ccc(C[NH+](C)C)cc1 ZINC000814824250 1136510326 /nfs/dbraw/zinc/51/03/26/1136510326.db2.gz OHNWWQOFBSTSFL-UHFFFAOYSA-N 1 1 326.400 3.801 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000853554640 1136544059 /nfs/dbraw/zinc/54/40/59/1136544059.db2.gz NLPKUPGIIFZZRT-FQEVSTJZSA-N 1 1 349.482 3.985 20 30 EHEDMO C=CCCC[C@H](C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21)c1ccccc1 ZINC001135244981 1136643202 /nfs/dbraw/zinc/64/32/02/1136643202.db2.gz OYOVBGXEDDMCHW-LWYYNNOASA-N 1 1 326.484 3.583 20 30 EHEDMO C#CCOc1ccc(C[NH2+][C@@H](COCC(C)C)c2ccco2)cc1 ZINC000113332104 1136697196 /nfs/dbraw/zinc/69/71/96/1136697196.db2.gz TWVBSHRPOXOZIV-IBGZPJMESA-N 1 1 327.424 3.795 20 30 EHEDMO C#Cc1ccccc1CC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000816451995 1136722317 /nfs/dbraw/zinc/72/23/17/1136722317.db2.gz UQYPFCAUWQOMRH-PGRDOPGGSA-N 1 1 347.458 3.664 20 30 EHEDMO C[C@@H]1C[C@@H](C)[N@@H+](CCC(C)(C)C#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817291354 1136791692 /nfs/dbraw/zinc/79/16/92/1136791692.db2.gz HLUPQHPZDRLKII-BZUAXINKSA-N 1 1 337.508 3.797 20 30 EHEDMO C(=NNc1cc[nH+]cc1)c1cnn(C2CCCC2)c1-c1ccccc1 ZINC000817326304 1136793567 /nfs/dbraw/zinc/79/35/67/1136793567.db2.gz NWJHNWHNOWOQQW-UHFFFAOYSA-N 1 1 331.423 3.928 20 30 EHEDMO C=CC[C@@H]1CCCN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857308535 1136862130 /nfs/dbraw/zinc/86/21/30/1136862130.db2.gz AXKVFSHWSMYWQL-YLJYHZDGSA-N 1 1 326.484 3.924 20 30 EHEDMO N#Cc1csc(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858010894 1136929177 /nfs/dbraw/zinc/92/91/77/1136929177.db2.gz OAZXRORUOLABPZ-KRWDZBQOSA-N 1 1 339.464 3.936 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000859240709 1137009358 /nfs/dbraw/zinc/00/93/58/1137009358.db2.gz YDZZDRGULYAHGG-UHFFFAOYSA-N 1 1 334.460 3.567 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC(F)(F)CC2)cc1C ZINC000859535334 1137018683 /nfs/dbraw/zinc/01/86/83/1137018683.db2.gz SSMYPWJILZVPMZ-UHFFFAOYSA-N 1 1 349.425 3.671 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCC(F)(F)CC2)cc1C ZINC000859535334 1137018684 /nfs/dbraw/zinc/01/86/84/1137018684.db2.gz SSMYPWJILZVPMZ-UHFFFAOYSA-N 1 1 349.425 3.671 20 30 EHEDMO Cc1ccc2c(C[N@H+]3CCc4c(CC#N)cccc4C3)cc(=O)oc2c1 ZINC000860106571 1137044674 /nfs/dbraw/zinc/04/46/74/1137044674.db2.gz AFNAZYOTXYBKJH-UHFFFAOYSA-N 1 1 344.414 3.726 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](C)C[C@](C)(O)c2ccccc2)cc1OC ZINC000822515977 1137064252 /nfs/dbraw/zinc/06/42/52/1137064252.db2.gz GRRXSPAUIYCOCM-NRFANRHFSA-N 1 1 341.451 3.600 20 30 EHEDMO N#CCCC[C@@H]([NH3+])c1nc(C2(c3c(F)cccc3F)CCCC2)no1 ZINC000823216155 1137090851 /nfs/dbraw/zinc/09/08/51/1137090851.db2.gz QWCXYXULVUITGZ-CQSZACIVSA-N 1 1 346.381 3.902 20 30 EHEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171059793 1137143849 /nfs/dbraw/zinc/14/38/49/1137143849.db2.gz QWNQNALXJNSMMR-HOTGVXAUSA-N 1 1 348.874 3.574 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000862444604 1137144929 /nfs/dbraw/zinc/14/49/29/1137144929.db2.gz DAQVADSKZPFWJB-CYBMUJFWSA-N 1 1 333.357 3.941 20 30 EHEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1nc3ccccc3s1)C2 ZINC001136953754 1137154690 /nfs/dbraw/zinc/15/46/90/1137154690.db2.gz VQTJREWYWLLHTJ-DNVCBOLYSA-N 1 1 344.480 3.622 20 30 EHEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1nc3ccccc3s1)C2 ZINC001136953754 1137154691 /nfs/dbraw/zinc/15/46/91/1137154691.db2.gz VQTJREWYWLLHTJ-DNVCBOLYSA-N 1 1 344.480 3.622 20 30 EHEDMO CC(C)(C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1(C)C ZINC001171070583 1137155618 /nfs/dbraw/zinc/15/56/18/1137155618.db2.gz ZAENDOYOLCFVJE-MSOLQXFVSA-N 1 1 344.499 3.835 20 30 EHEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccccc1OC1CCCC1 ZINC001171072209 1137157435 /nfs/dbraw/zinc/15/74/35/1137157435.db2.gz CIVOOEPGZUUHCO-KRWDZBQOSA-N 1 1 346.471 3.647 20 30 EHEDMO C#CCOc1ccc(C[NH2+]Cc2c(C)nn(CCCC)c2Cl)cc1 ZINC000824925659 1137157874 /nfs/dbraw/zinc/15/78/74/1137157874.db2.gz CBKKUBWFJARZQZ-UHFFFAOYSA-N 1 1 345.874 3.947 20 30 EHEDMO N#Cc1ccccc1N1CC[NH+](Cc2c[nH]c3cccc(F)c23)CC1 ZINC001136977257 1137161981 /nfs/dbraw/zinc/16/19/81/1137161981.db2.gz VPZLPMDEACEIAV-UHFFFAOYSA-N 1 1 334.398 3.501 20 30 EHEDMO Cc1ccccc1[C@@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)CC[NH2+]1 ZINC000825163357 1137168644 /nfs/dbraw/zinc/16/86/44/1137168644.db2.gz WYSLCFCBHDCXCN-CTNGQTDRSA-N 1 1 347.462 3.556 20 30 EHEDMO C[N@H+]1CCN(Cc2c(Cl)cccc2C#N)C[C@@H]1c1ccccc1 ZINC001143722455 1137193978 /nfs/dbraw/zinc/19/39/78/1137193978.db2.gz APIWXFBZPBASOE-LJQANCHMSA-N 1 1 325.843 3.700 20 30 EHEDMO Cc1c[nH+]ccc1O[C@@H]1CCN(Cc2c(Cl)cccc2C#N)C1 ZINC001143732319 1137194747 /nfs/dbraw/zinc/19/47/47/1137194747.db2.gz OXRVMUGVADSVLD-OAHLLOKOSA-N 1 1 327.815 3.568 20 30 EHEDMO Cc1ccccc1[C@@H](O)C1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000794552303 1137199002 /nfs/dbraw/zinc/19/90/02/1137199002.db2.gz HTWSIKNNAREWBZ-NRFANRHFSA-N 1 1 338.426 3.951 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)cc1F ZINC000844376227 1137217706 /nfs/dbraw/zinc/21/77/06/1137217706.db2.gz SIOILRAJXYZUBY-IBGZPJMESA-N 1 1 344.817 3.834 20 30 EHEDMO C[C@]12CC[N@@H+](Cc3cc(Cl)ccc3OCC#N)C[C@H]1C2(F)F ZINC000794621624 1137221358 /nfs/dbraw/zinc/22/13/58/1137221358.db2.gz CMTQGRJVUKXIOQ-CABCVRRESA-N 1 1 326.774 3.719 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844439586 1137223511 /nfs/dbraw/zinc/22/35/11/1137223511.db2.gz PADCSVZGBAPDDZ-OAHLLOKOSA-N 1 1 326.774 3.864 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2Cc3cccc(C#N)c3C2)CC1 ZINC000844478001 1137224686 /nfs/dbraw/zinc/22/46/86/1137224686.db2.gz TUNRZPXGGPVKRB-UHFFFAOYSA-N 1 1 341.455 3.521 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC(C[N@H+]2Cc3cccc(C#N)c3C2)CC1 ZINC000844478001 1137224688 /nfs/dbraw/zinc/22/46/88/1137224688.db2.gz TUNRZPXGGPVKRB-UHFFFAOYSA-N 1 1 341.455 3.521 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ccc(Cl)cc3)C2)nc1 ZINC001144163322 1137247196 /nfs/dbraw/zinc/24/71/96/1137247196.db2.gz BCMVGTJOJSJDBH-GOSISDBHSA-N 1 1 327.815 3.650 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(Cl)cc3)C2)nc1 ZINC001144163322 1137247197 /nfs/dbraw/zinc/24/71/97/1137247197.db2.gz BCMVGTJOJSJDBH-GOSISDBHSA-N 1 1 327.815 3.650 20 30 EHEDMO C#Cc1ccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001144578375 1137310601 /nfs/dbraw/zinc/31/06/01/1137310601.db2.gz BUXNDXUDAQNNLD-XZOQPEGZSA-N 1 1 330.475 3.622 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)cc1 ZINC001144573255 1137311619 /nfs/dbraw/zinc/31/16/19/1137311619.db2.gz FJNZNUHDDMKJJV-HSZRJFAPSA-N 1 1 344.458 3.605 20 30 EHEDMO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](c2nccn2C)c2ccccc2OC)C1 ZINC000845921213 1137320437 /nfs/dbraw/zinc/32/04/37/1137320437.db2.gz KLAWEWNSJSIKHK-MDZRGWNJSA-N 1 1 325.456 3.853 20 30 EHEDMO CC(C)CCn1cccc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846006237 1137325300 /nfs/dbraw/zinc/32/53/00/1137325300.db2.gz HMSVCDUAYXPALP-FQEVSTJZSA-N 1 1 325.456 3.571 20 30 EHEDMO C=CCC(F)(F)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000846100406 1137335295 /nfs/dbraw/zinc/33/52/95/1137335295.db2.gz LBTBMXREWFRQRL-AWEZNQCLSA-N 1 1 342.455 3.548 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1cccc(C#N)c1O ZINC000866229401 1137336780 /nfs/dbraw/zinc/33/67/80/1137336780.db2.gz PCEOITJGKCIYDK-CQSZACIVSA-N 1 1 337.423 3.831 20 30 EHEDMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cc1[N+](=O)[O-] ZINC000866304010 1137343929 /nfs/dbraw/zinc/34/39/29/1137343929.db2.gz YTLYUDMUOGRNPB-CHWSQXEVSA-N 1 1 325.368 3.892 20 30 EHEDMO C[C@@H]([NH2+]Cc1c(F)cccc1N1CCCC1)c1cccc(C#N)c1O ZINC000866356076 1137348868 /nfs/dbraw/zinc/34/88/68/1137348868.db2.gz AUMHVVVXDVOFHJ-CQSZACIVSA-N 1 1 339.414 3.854 20 30 EHEDMO Cc1cccc(O[C@H]2CCC[N@H+]([C@H](C)Cc3cccc(C#N)c3)C2)n1 ZINC001171231161 1137355028 /nfs/dbraw/zinc/35/50/28/1137355028.db2.gz HNLKMCQYOVJNNZ-XLIONFOSSA-N 1 1 335.451 3.736 20 30 EHEDMO C[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccc(F)cc1O ZINC000866448417 1137355667 /nfs/dbraw/zinc/35/56/67/1137355667.db2.gz FHXWMUWBDVZLRH-CQSZACIVSA-N 1 1 339.414 3.723 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)CCCCNC(=O)OC(C)(C)C ZINC001171230523 1137355908 /nfs/dbraw/zinc/35/59/08/1137355908.db2.gz VRBLZCSXRBCEKC-MRXNPFEDSA-N 1 1 345.487 3.726 20 30 EHEDMO C#CC[N@H+](Cc1cc2ccccc2n(C)c1=O)[C@H]1CCc2ccccc21 ZINC000846780775 1137365148 /nfs/dbraw/zinc/36/51/48/1137365148.db2.gz TULOTRAUNGWFJM-QFIPXVFZSA-N 1 1 342.442 3.661 20 30 EHEDMO C=CCCn1cc(C[NH+]2CCC(c3ccnc4ccccc43)CC2)nn1 ZINC000846950752 1137378366 /nfs/dbraw/zinc/37/83/66/1137378366.db2.gz QKWZIZHWVNVXRA-UHFFFAOYSA-N 1 1 347.466 3.782 20 30 EHEDMO CCN(C(=O)c1ccc(C#Cc2ccccc2)cc1)[C@H]1CC[N@@H+](CC)C1 ZINC001146909839 1137396912 /nfs/dbraw/zinc/39/69/12/1137396912.db2.gz FANHYEZGCXOZKX-QFIPXVFZSA-N 1 1 346.474 3.643 20 30 EHEDMO C=CC1CC[NH+](Cc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000348165419 1137447863 /nfs/dbraw/zinc/44/78/63/1137447863.db2.gz IOZQWYXUENWOMI-UHFFFAOYSA-N 1 1 328.485 3.550 20 30 EHEDMO N#CCCN(C(=O)C[N@H+]1CCCC2(CCCCC2)C1)c1ccccc1 ZINC000348140614 1137448319 /nfs/dbraw/zinc/44/83/19/1137448319.db2.gz RMJGAZDRDMBRJN-UHFFFAOYSA-N 1 1 339.483 3.980 20 30 EHEDMO CC(C)c1nccnc1N=NC1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000773078830 1137463730 /nfs/dbraw/zinc/46/37/30/1137463730.db2.gz PASDEDZTPQYPFS-INIZCTEOSA-N 1 1 337.471 3.910 20 30 EHEDMO CC(C)c1[nH+]c(/C=C2\c3ccc(C#N)cc3NC2=O)c2ccccn21 ZINC000773160395 1137471978 /nfs/dbraw/zinc/47/19/78/1137471978.db2.gz LJAUFQOWVHQYFB-XNTDXEJSSA-N 1 1 328.375 3.822 20 30 EHEDMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CC2(CC#N)CC2)C[C@H]1c1ccccc1 ZINC001171545078 1137494446 /nfs/dbraw/zinc/49/44/46/1137494446.db2.gz QWTQRLUKPAXIDN-ZWKOTPCHSA-N 1 1 340.467 3.738 20 30 EHEDMO CC(C)c1ccc([C@H]([NH2+]CC(=O)NCCC#N)c2cccs2)cc1 ZINC000795147487 1137514210 /nfs/dbraw/zinc/51/42/10/1137514210.db2.gz AELOUFFYBMERNH-IBGZPJMESA-N 1 1 341.480 3.580 20 30 EHEDMO Cc1sc(NC(=O)C[NH+]2CCC(C3CCC3)CC2)c(C#N)c1C ZINC001171841353 1137515534 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EHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000177260041 1017604805 /nfs/dbraw/zinc/60/48/05/1017604805.db2.gz ZRMZUMCVXPTJLE-MRXNPFEDSA-N 1 1 337.398 3.548 20 30 EHEDMO C=CCOCC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCC(C)CC1 ZINC001167309452 1017780584 /nfs/dbraw/zinc/78/05/84/1017780584.db2.gz BAHNGYNHVMBTBG-UHFFFAOYSA-N 1 1 331.456 3.999 20 30 EHEDMO Cn1cc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000449542924 1032729357 /nfs/dbraw/zinc/72/93/57/1032729357.db2.gz RQIYJHXNMLURLC-CTNGQTDRSA-N 1 1 332.451 3.579 20 30 EHEDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000536023036 1018102726 /nfs/dbraw/zinc/10/27/26/1018102726.db2.gz KLMJPFBCFPDKAF-LJQANCHMSA-N 1 1 348.837 3.780 20 30 EHEDMO C[C@@H]1C[C@H](NC(=O)Nc2ccccc2C#Cc2ccccc2)CC[N@H+]1C ZINC000472880273 1018449909 /nfs/dbraw/zinc/44/99/09/1018449909.db2.gz JKZWHIONTZTSBK-YLJYHZDGSA-N 1 1 347.462 3.691 20 30 EHEDMO C[C@@H](C[NH+]1CCN(c2cnccc2C#N)CC1)c1cccc(Cl)c1 ZINC000580146912 1018706977 /nfs/dbraw/zinc/70/69/77/1018706977.db2.gz AUYYMVBRADUEHG-HNNXBMFYSA-N 1 1 340.858 3.532 20 30 EHEDMO C[N@@H+](CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)C1CCC1 ZINC000610392463 1018725847 /nfs/dbraw/zinc/72/58/47/1018725847.db2.gz WFXWGRRJMZPGGP-UHFFFAOYSA-N 1 1 349.434 3.560 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c(C(F)(F)F)c1 ZINC000449554468 1032789722 /nfs/dbraw/zinc/78/97/22/1032789722.db2.gz OISHKZCHUKHKGL-YCPHGPKFSA-N 1 1 338.373 3.560 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(C#N)c1F ZINC000398036797 1018957288 /nfs/dbraw/zinc/95/72/88/1018957288.db2.gz QDKGZXBCMMNSDR-OXQOHEQNSA-N 1 1 337.442 3.698 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C#N)c1F ZINC000398036797 1018957293 /nfs/dbraw/zinc/95/72/93/1018957293.db2.gz QDKGZXBCMMNSDR-OXQOHEQNSA-N 1 1 337.442 3.698 20 30 EHEDMO CCOc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000328710150 1018999487 /nfs/dbraw/zinc/99/94/87/1018999487.db2.gz GBMHNIRQRUNVQI-CABCVRRESA-N 1 1 337.851 3.501 20 30 EHEDMO COc1cc(CNCC[C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000379636022 1019002920 /nfs/dbraw/zinc/00/29/20/1019002920.db2.gz WWBOSAOYBLMNOD-QGZVFWFLSA-N 1 1 337.467 3.567 20 30 EHEDMO COc1cc(C[NH2+]CC[C@@H](C)N(C)Cc2ccccc2)ccc1C#N ZINC000379636022 1019002968 /nfs/dbraw/zinc/00/29/68/1019002968.db2.gz WWBOSAOYBLMNOD-QGZVFWFLSA-N 1 1 337.467 3.567 20 30 EHEDMO C=CCOCC[N@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000549921614 1019109066 /nfs/dbraw/zinc/10/90/66/1019109066.db2.gz HSAAFFABDQUNKL-KRWDZBQOSA-N 1 1 347.503 3.965 20 30 EHEDMO C=CC1CC[NH+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC001167405247 1019419586 /nfs/dbraw/zinc/41/95/86/1019419586.db2.gz BJXDZDAXMJGBMO-UHFFFAOYSA-N 1 1 345.443 3.786 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C(=O)OCC)o1)Cc1ccc(C#N)cc1 ZINC000119275697 1019863920 /nfs/dbraw/zinc/86/39/20/1019863920.db2.gz FTWWZNARNZJQRH-UHFFFAOYSA-N 1 1 326.396 3.740 20 30 EHEDMO CC[N@@H+](Cc1cccc(Br)c1)Cc1cccc(C#N)n1 ZINC000602437944 1032889136 /nfs/dbraw/zinc/88/91/36/1032889136.db2.gz AQQBCEJXYHLCRJ-UHFFFAOYSA-N 1 1 330.229 3.738 20 30 EHEDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1cccc(C#N)n1 ZINC000602449121 1032896512 /nfs/dbraw/zinc/89/65/12/1032896512.db2.gz NEACRWVMTROGBN-UHFFFAOYSA-N 1 1 349.413 3.547 20 30 EHEDMO N#Cc1cccc(C[NH+]2CCC(OCCc3ccccc3)CC2)c1F ZINC000340868420 1020484202 /nfs/dbraw/zinc/48/42/02/1020484202.db2.gz AXHYOOOFRDODEA-UHFFFAOYSA-N 1 1 338.426 3.921 20 30 EHEDMO C[C@@H](CCC#N)C[N@@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000602481861 1032910721 /nfs/dbraw/zinc/91/07/21/1032910721.db2.gz DUVSDCDWWJGSKN-NSHDSACASA-N 1 1 325.225 3.886 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000602481861 1032910727 /nfs/dbraw/zinc/91/07/27/1032910727.db2.gz DUVSDCDWWJGSKN-NSHDSACASA-N 1 1 325.225 3.886 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccn(C(F)F)c1=O ZINC000602484340 1032914908 /nfs/dbraw/zinc/91/49/08/1032914908.db2.gz OCTLTJWWGHWSOP-IAGOWNOFSA-N 1 1 343.377 3.515 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccn(C(F)F)c1=O ZINC000602484340 1032914918 /nfs/dbraw/zinc/91/49/18/1032914918.db2.gz OCTLTJWWGHWSOP-IAGOWNOFSA-N 1 1 343.377 3.515 20 30 EHEDMO C#CCC1([NH2+][C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CCC1 ZINC000933298022 1021031489 /nfs/dbraw/zinc/03/14/89/1021031489.db2.gz AUOAGEVCYVXOQO-CYBMUJFWSA-N 1 1 329.831 3.910 20 30 EHEDMO CC(C)[C@@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)N1CCCCCC1 ZINC000602512963 1032951781 /nfs/dbraw/zinc/95/17/81/1032951781.db2.gz XOVPVGCHXBEKAO-RBUKOAKNSA-N 1 1 335.536 3.576 20 30 EHEDMO CCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccccc1 ZINC000097009726 1021101831 /nfs/dbraw/zinc/10/18/31/1021101831.db2.gz VTFAUEFPRNTFON-UHFFFAOYSA-N 1 1 325.412 3.619 20 30 EHEDMO C[C@@H]1CCC[C@@H](C)[NH+]1CCNCc1cccc(OCCCC#N)c1 ZINC000341215913 1021115119 /nfs/dbraw/zinc/11/51/19/1021115119.db2.gz VTWICIYKQYBZTI-QZTJIDSGSA-N 1 1 329.488 3.722 20 30 EHEDMO N#Cc1cccc(OCCC[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)c1 ZINC000510439993 1021224106 /nfs/dbraw/zinc/22/41/06/1021224106.db2.gz BJOFGUYNZMEHAD-LJQANCHMSA-N 1 1 346.434 3.624 20 30 EHEDMO CC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000729474906 1021300667 /nfs/dbraw/zinc/30/06/67/1021300667.db2.gz PRWCFEHXLXGFSW-MAUKXSAKSA-N 1 1 348.450 3.734 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000078507402 1032975847 /nfs/dbraw/zinc/97/58/47/1032975847.db2.gz PYUFERAOVCDNEZ-LJQANCHMSA-N 1 1 342.446 3.817 20 30 EHEDMO CCC[N@@H+](CCCOc1cccc(C#N)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000477290390 1021403132 /nfs/dbraw/zinc/40/31/32/1021403132.db2.gz HUELTQFDYOQPDK-VAMGGRTRSA-N 1 1 342.483 3.853 20 30 EHEDMO CC[NH+](CC)CCOC1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439431586 1021431713 /nfs/dbraw/zinc/43/17/13/1021431713.db2.gz QSGSWTNFNAULDG-UHFFFAOYSA-N 1 1 349.906 3.534 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1cccc(F)c1 ZINC000139279606 1032980353 /nfs/dbraw/zinc/98/03/53/1032980353.db2.gz LPAQFXBJCATNBP-UHFFFAOYSA-N 1 1 331.416 3.610 20 30 EHEDMO C=CCOc1ccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1 ZINC000506618706 1021570070 /nfs/dbraw/zinc/57/00/70/1021570070.db2.gz UBJCWPTUAKDPAE-UHFFFAOYSA-N 1 1 343.858 3.622 20 30 EHEDMO N#CCCC1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000519714552 1021644089 /nfs/dbraw/zinc/64/40/89/1021644089.db2.gz QZCOTMODFOSUCH-UHFFFAOYSA-N 1 1 340.383 3.766 20 30 EHEDMO Cc1ccc2nc([C@H]3CCCN3CCOc3cccc(C#N)c3)[nH]c2c1 ZINC000519717318 1021645419 /nfs/dbraw/zinc/64/54/19/1021645419.db2.gz BZTOVKYCGSMELI-HXUWFJFHSA-N 1 1 346.434 3.959 20 30 EHEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CCOc3cccc(C#N)c3)nc2c1 ZINC000519717318 1021645427 /nfs/dbraw/zinc/64/54/27/1021645427.db2.gz BZTOVKYCGSMELI-HXUWFJFHSA-N 1 1 346.434 3.959 20 30 EHEDMO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3CCOc3cccc(C#N)c3)nc2c1 ZINC000519717318 1021645433 /nfs/dbraw/zinc/64/54/33/1021645433.db2.gz BZTOVKYCGSMELI-HXUWFJFHSA-N 1 1 346.434 3.959 20 30 EHEDMO Cc1ccc2nc([C@H]3CCC[N@@H+]3CCOc3cccc(C#N)c3)[nH]c2c1 ZINC000519717318 1021645439 /nfs/dbraw/zinc/64/54/39/1021645439.db2.gz BZTOVKYCGSMELI-HXUWFJFHSA-N 1 1 346.434 3.959 20 30 EHEDMO Cc1ccc2nc([C@H]3CCC[N@H+]3CCOc3cccc(C#N)c3)[nH]c2c1 ZINC000519717318 1021645447 /nfs/dbraw/zinc/64/54/47/1021645447.db2.gz BZTOVKYCGSMELI-HXUWFJFHSA-N 1 1 346.434 3.959 20 30 EHEDMO CCn1cc(C[N@@H+](Cc2cccc(OCCCC#N)c2)C(C)C)cn1 ZINC000593675710 1033001937 /nfs/dbraw/zinc/00/19/37/1033001937.db2.gz BPWJVNKOMIFSSO-UHFFFAOYSA-N 1 1 340.471 3.996 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCc3sc(Cl)cc3C2)c1 ZINC000516766197 1021712336 /nfs/dbraw/zinc/71/23/36/1021712336.db2.gz NESQQDACKIFMLM-UHFFFAOYSA-N 1 1 345.855 3.660 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCc3sc(Cl)cc3C2)c1 ZINC000516766197 1021712352 /nfs/dbraw/zinc/71/23/52/1021712352.db2.gz NESQQDACKIFMLM-UHFFFAOYSA-N 1 1 345.855 3.660 20 30 EHEDMO CC(C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000519908853 1021759090 /nfs/dbraw/zinc/75/90/90/1021759090.db2.gz UGECRESUUSTPMF-UHFFFAOYSA-N 1 1 339.395 3.756 20 30 EHEDMO CC1(C#N)CC[NH+](CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000506046945 1021799878 /nfs/dbraw/zinc/79/98/78/1021799878.db2.gz FGCIFDLZKGOQGE-UHFFFAOYSA-N 1 1 334.847 3.669 20 30 EHEDMO C=CCC1(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000276569850 1021853410 /nfs/dbraw/zinc/85/34/10/1021853410.db2.gz AOLYALCXASTTLR-HKUYNNGSSA-N 1 1 326.484 3.760 20 30 EHEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCCC#N)[C@H]2CCCC[C@H]12 ZINC000439981418 1021875903 /nfs/dbraw/zinc/87/59/03/1021875903.db2.gz HKZSLKRPQFUEPN-QTMHVTGLSA-N 1 1 333.520 3.864 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)cc1Cl ZINC000437533012 1021927914 /nfs/dbraw/zinc/92/79/14/1021927914.db2.gz BHHXYBQFRLSOMH-HOTGVXAUSA-N 1 1 349.887 3.510 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCS[C@H]3CCCC[C@@H]32)cc1Cl ZINC000437533012 1021927918 /nfs/dbraw/zinc/92/79/18/1021927918.db2.gz BHHXYBQFRLSOMH-HOTGVXAUSA-N 1 1 349.887 3.510 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3F)CC2)cc1 ZINC000506101907 1022041524 /nfs/dbraw/zinc/04/15/24/1022041524.db2.gz UVZRVECIQGLTPV-UHFFFAOYSA-N 1 1 343.833 3.669 20 30 EHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000441207921 1022066643 /nfs/dbraw/zinc/06/66/43/1022066643.db2.gz NFTPXHYGUZNBEV-SJORKVTESA-N 1 1 337.385 3.805 20 30 EHEDMO C=CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000441265654 1022111880 /nfs/dbraw/zinc/11/18/80/1022111880.db2.gz MIHGAUPKXSMFPH-UHFFFAOYSA-N 1 1 342.395 3.670 20 30 EHEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)[C@@H](C)CO1 ZINC000282075172 1033031233 /nfs/dbraw/zinc/03/12/33/1033031233.db2.gz TXIPGUMOBBVSFY-ICSRJNTNSA-N 1 1 342.483 3.857 20 30 EHEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000894431010 1022273339 /nfs/dbraw/zinc/27/33/39/1022273339.db2.gz ISIZNBMUNHNZGU-ZVDOUQERSA-N 1 1 326.484 3.569 20 30 EHEDMO C=CCOCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000550105372 1022452894 /nfs/dbraw/zinc/45/28/94/1022452894.db2.gz BQCRUBGVTZIFPG-CJNGLKHVSA-N 1 1 329.362 3.670 20 30 EHEDMO C=CCOCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000550105372 1022452899 /nfs/dbraw/zinc/45/28/99/1022452899.db2.gz BQCRUBGVTZIFPG-CJNGLKHVSA-N 1 1 329.362 3.670 20 30 EHEDMO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000328668264 1022458375 /nfs/dbraw/zinc/45/83/75/1022458375.db2.gz DQJXXEDSXFRHEG-SJLPKXTDSA-N 1 1 344.503 3.835 20 30 EHEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]1C ZINC000517593628 1022468189 /nfs/dbraw/zinc/46/81/89/1022468189.db2.gz KIOQGLBGSKWWCB-CHWSQXEVSA-N 1 1 331.485 3.557 20 30 EHEDMO C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000328816636 1022493808 /nfs/dbraw/zinc/49/38/08/1022493808.db2.gz HDHZHNPJNFQCRP-BMGDILEWSA-N 1 1 343.471 3.924 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000328795012 1022504026 /nfs/dbraw/zinc/50/40/26/1022504026.db2.gz SUZQMJPTAWFAGG-CVEARBPZSA-N 1 1 332.444 3.707 20 30 EHEDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1coc(C2CCCC2)n1 ZINC000328835821 1022511447 /nfs/dbraw/zinc/51/14/47/1022511447.db2.gz XGQXOKUQXSTOEG-KRWDZBQOSA-N 1 1 339.439 3.911 20 30 EHEDMO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2ccc(CC#N)cc2)CC1 ZINC000517741515 1022612405 /nfs/dbraw/zinc/61/24/05/1022612405.db2.gz SIJYTVPPEZLBRY-LAUBAEHRSA-N 1 1 325.500 3.885 20 30 EHEDMO Cc1cc(C)c(C#N)c(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000383069796 1022734804 /nfs/dbraw/zinc/73/48/04/1022734804.db2.gz KWAIMHZOPAPXOP-IBGZPJMESA-N 1 1 334.467 3.528 20 30 EHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000331172838 1022760784 /nfs/dbraw/zinc/76/07/84/1022760784.db2.gz ZVUPQFGFELCQPR-WFASDCNBSA-N 1 1 334.851 3.562 20 30 EHEDMO CC[C@H](NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1nc(C)cs1 ZINC000331323073 1022786134 /nfs/dbraw/zinc/78/61/34/1022786134.db2.gz MRUKOYOAVALKIY-KBPBESRZSA-N 1 1 338.521 3.527 20 30 EHEDMO Cc1ccccc1[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000441440002 1022811368 /nfs/dbraw/zinc/81/13/68/1022811368.db2.gz 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335.451 3.693 20 30 EHEDMO COCC1(C#N)CC[NH+](Cc2ccc(Br)c(C)c2)CC1 ZINC000341996098 1023740689 /nfs/dbraw/zinc/74/06/89/1023740689.db2.gz VCNALIVPZSVUDQ-UHFFFAOYSA-N 1 1 337.261 3.510 20 30 EHEDMO Cc1nccc([C@H]2CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)n1 ZINC000610859242 1023799752 /nfs/dbraw/zinc/79/97/52/1023799752.db2.gz VLAWCBHSIMRPBD-SFHVURJKSA-N 1 1 334.467 3.966 20 30 EHEDMO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)[nH]1 ZINC000277166270 1023915144 /nfs/dbraw/zinc/91/51/44/1023915144.db2.gz HGLHNVHJUQXJRD-CABCVRRESA-N 1 1 340.475 3.519 20 30 EHEDMO C=CC[C@@H](C)NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000342096806 1023940532 /nfs/dbraw/zinc/94/05/32/1023940532.db2.gz CQTCKISWCFLWAZ-SJORKVTESA-N 1 1 329.488 3.825 20 30 EHEDMO C=C[C@@H](C)NC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000443813701 1023979573 /nfs/dbraw/zinc/97/95/73/1023979573.db2.gz VSHRASPHHYDJGF-MRXNPFEDSA-N 1 1 347.462 3.658 20 30 EHEDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1F ZINC000121098423 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ZINC000330217045 1024358993 /nfs/dbraw/zinc/35/89/93/1024358993.db2.gz IELHNNHIQAATPP-MRXNPFEDSA-N 1 1 330.819 3.741 20 30 EHEDMO COc1ccc(C[N@@H+](CCc2ccccn2)CC2(CC#N)CC2)cc1 ZINC000602820188 1033206630 /nfs/dbraw/zinc/20/66/30/1033206630.db2.gz HAFXDYKJXKDGTH-UHFFFAOYSA-N 1 1 335.451 3.829 20 30 EHEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)C1CCN(Cc2ccccc2)CC1 ZINC000120932039 1024404634 /nfs/dbraw/zinc/40/46/34/1024404634.db2.gz DNWAWXZLUGEDAD-UHFFFAOYSA-N 1 1 337.442 3.794 20 30 EHEDMO CN(Cc1ccc(F)c(C#N)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000120932039 1024404644 /nfs/dbraw/zinc/40/46/44/1024404644.db2.gz DNWAWXZLUGEDAD-UHFFFAOYSA-N 1 1 337.442 3.794 20 30 EHEDMO CC(C)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1F ZINC000434764795 1024412271 /nfs/dbraw/zinc/41/22/71/1024412271.db2.gz AUCWZZJTGRZONP-UHFFFAOYSA-N 1 1 339.414 3.937 20 30 EHEDMO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1nnc2n1CCCCC2 ZINC000346155978 1024456905 /nfs/dbraw/zinc/45/69/05/1024456905.db2.gz GVBUBXDGXVOLHR-SUMWQHHRSA-N 1 1 341.434 3.817 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000425235525 1024473801 /nfs/dbraw/zinc/47/38/01/1024473801.db2.gz ZDAWUGMHVPWCNI-CVEARBPZSA-N 1 1 342.443 3.557 20 30 EHEDMO Cc1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c(C)s1 ZINC000434992566 1024547214 /nfs/dbraw/zinc/54/72/14/1024547214.db2.gz VVYCWDCOYMQPHA-IBGZPJMESA-N 1 1 325.481 3.747 20 30 EHEDMO CCC[C@]1(C)CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000435025897 1024567496 /nfs/dbraw/zinc/56/74/96/1024567496.db2.gz KDQMGJYOZZBKAR-CRAIPNDOSA-N 1 1 331.485 3.627 20 30 EHEDMO CCC[C@]1(C)CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000435025897 1024567500 /nfs/dbraw/zinc/56/75/00/1024567500.db2.gz KDQMGJYOZZBKAR-CRAIPNDOSA-N 1 1 331.485 3.627 20 30 EHEDMO CC(C)C[C@@H]1CCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435129353 1024639338 /nfs/dbraw/zinc/63/93/38/1024639338.db2.gz JNPNRZDQQDLAEK-IBGZPJMESA-N 1 1 337.471 3.869 20 30 EHEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)cc1 ZINC000185584210 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C=CCCCCC[N@H+](C)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000532967256 1029114485 /nfs/dbraw/zinc/11/44/85/1029114485.db2.gz PJAZAKGRFAMJDS-OAHLLOKOSA-N 1 1 339.277 3.654 20 30 EHEDMO C=CCCc1ccccc1NC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000505060718 1029165109 /nfs/dbraw/zinc/16/51/09/1029165109.db2.gz HHOOUKGBBJBPAI-UHFFFAOYSA-N 1 1 349.478 3.985 20 30 EHEDMO N#Cc1cccc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000349852202 1029243774 /nfs/dbraw/zinc/24/37/74/1029243774.db2.gz BCNYGKBWCKYJOF-UHFFFAOYSA-N 1 1 325.843 3.529 20 30 EHEDMO COc1ccc(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1C#N ZINC000533079922 1029282959 /nfs/dbraw/zinc/28/29/59/1029282959.db2.gz RMEUDAPTJXYISJ-MJGOQNOKSA-N 1 1 341.499 3.653 20 30 EHEDMO COc1ccc(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1C#N ZINC000533079923 1029285749 /nfs/dbraw/zinc/28/57/49/1029285749.db2.gz RMEUDAPTJXYISJ-PKOBYXMFSA-N 1 1 341.499 3.653 20 30 EHEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000505290685 1029443281 /nfs/dbraw/zinc/44/32/81/1029443281.db2.gz RVGOVSJFXLIVNN-FQEVSTJZSA-N 1 1 331.419 3.815 20 30 EHEDMO CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1)c1ccccc1 ZINC000272535985 1029501672 /nfs/dbraw/zinc/50/16/72/1029501672.db2.gz JAGADHVSLBOLKY-SJLPKXTDSA-N 1 1 327.472 3.658 20 30 EHEDMO COC(=O)c1sc2ccccc2c1C[NH+]1CCC(C)(C#N)CC1 ZINC000272538046 1029504266 /nfs/dbraw/zinc/50/42/66/1029504266.db2.gz JJHJQKOLZPLZGU-UHFFFAOYSA-N 1 1 328.437 3.814 20 30 EHEDMO CC(C)[C@H]1CCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000533247615 1029524010 /nfs/dbraw/zinc/52/40/10/1029524010.db2.gz GGUMNYKDDKLAGJ-MRXNPFEDSA-N 1 1 345.512 3.948 20 30 EHEDMO C=CCC[C@H](NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)c1ccccc1 ZINC000246040745 1029594199 /nfs/dbraw/zinc/59/41/99/1029594199.db2.gz XBMVMCHSBRDBOL-UFYCRDLUSA-N 1 1 341.499 3.820 20 30 EHEDMO C[C@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)[N@H+]1CCCC[C@@H]1C ZINC000455697716 1029839319 /nfs/dbraw/zinc/83/93/19/1029839319.db2.gz FBOFPWHLDJMTAU-UONOGXRCSA-N 1 1 348.878 3.790 20 30 EHEDMO C=CCC[C@H](NC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)c1ccccc1 ZINC000458577425 1030057256 /nfs/dbraw/zinc/05/72/56/1030057256.db2.gz ORVRUICHIHGFRK-PXNSSMCTSA-N 1 1 341.499 3.820 20 30 EHEDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000447387760 1030177493 /nfs/dbraw/zinc/17/74/93/1030177493.db2.gz UUODKYISHXRDSB-SFHVURJKSA-N 1 1 338.398 3.941 20 30 EHEDMO C=CC[N@H+](C)C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000121236801 1030218273 /nfs/dbraw/zinc/21/82/73/1030218273.db2.gz XEOCORBXPAGYRQ-LJQANCHMSA-N 1 1 347.405 3.550 20 30 EHEDMO C=CC[N@H+](C)C[C@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000121287241 1030238674 /nfs/dbraw/zinc/23/86/74/1030238674.db2.gz ABSAMYIZWSVSRT-SFTDATJTSA-N 1 1 325.452 3.580 20 30 EHEDMO C=CCOc1ccccc1C[NH2+]Cc1cc(OC)c(OC)cc1F ZINC000583635698 1030319555 /nfs/dbraw/zinc/31/95/55/1030319555.db2.gz REIPUUNXDDLBPS-UHFFFAOYSA-N 1 1 331.387 3.698 20 30 EHEDMO C[C@H]1[C@H](Nc2cc(C#N)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000385203115 1030334064 /nfs/dbraw/zinc/33/40/64/1030334064.db2.gz GSZOVKMZPWZNEB-WMLDXEAASA-N 1 1 336.395 3.541 20 30 EHEDMO CC(C)c1ccc2ncc(C#N)c(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000447691572 1030426094 /nfs/dbraw/zinc/42/60/94/1030426094.db2.gz SYSOTVLYVZFABP-ROUUACIJSA-N 1 1 334.467 3.690 20 30 EHEDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000482509368 1030490447 /nfs/dbraw/zinc/49/04/47/1030490447.db2.gz NJXWSRLKWMRJGX-QZTJIDSGSA-N 1 1 349.478 3.662 20 30 EHEDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCN1C ZINC000482509368 1030490460 /nfs/dbraw/zinc/49/04/60/1030490460.db2.gz NJXWSRLKWMRJGX-QZTJIDSGSA-N 1 1 349.478 3.662 20 30 EHEDMO C[C@H](O)C[C@H]1CCCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000447841500 1030531099 /nfs/dbraw/zinc/53/10/99/1030531099.db2.gz YAQLJEFNEDAXIL-GOEBONIOSA-N 1 1 341.373 3.562 20 30 EHEDMO C[N@@H+]([C@H]1CCc2ccccc21)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447856579 1030547967 /nfs/dbraw/zinc/54/79/67/1030547967.db2.gz RUZDZKASVRNHNU-SFTDATJTSA-N 1 1 345.446 3.673 20 30 EHEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccccc1N1CCOCC1 ZINC000093101037 1030562355 /nfs/dbraw/zinc/56/23/55/1030562355.db2.gz WZULNXYDCQRWQG-UHFFFAOYSA-N 1 1 329.488 3.675 20 30 EHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccccc1N1CCOCC1 ZINC000093101037 1030562365 /nfs/dbraw/zinc/56/23/65/1030562365.db2.gz WZULNXYDCQRWQG-UHFFFAOYSA-N 1 1 329.488 3.675 20 30 EHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(C(=O)N(C)C)c1 ZINC000060479413 1030568184 /nfs/dbraw/zinc/56/81/84/1030568184.db2.gz VKUNYDNXIWIUPV-UHFFFAOYSA-N 1 1 338.451 3.585 20 30 EHEDMO C=CC[C@H](C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247082737 1030891463 /nfs/dbraw/zinc/89/14/63/1030891463.db2.gz RBOIETBHCLCTOK-YSIASYRMSA-N 1 1 341.499 3.647 20 30 EHEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2cc(-c3ccccc3)n(C)n2)CC1 ZINC000527858827 1031335145 /nfs/dbraw/zinc/33/51/45/1031335145.db2.gz LXMYFXLYOZFPQF-QGZVFWFLSA-N 1 1 338.499 3.778 20 30 EHEDMO CC[N@H+](CC(=O)Nc1cccc(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042742023 1031454743 /nfs/dbraw/zinc/45/47/43/1031454743.db2.gz VVGALOMRNCMOEF-AWEZNQCLSA-N 1 1 325.387 3.719 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1cccc(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042742023 1031454752 /nfs/dbraw/zinc/45/47/52/1031454752.db2.gz VVGALOMRNCMOEF-AWEZNQCLSA-N 1 1 325.387 3.719 20 30 EHEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000484084540 1031455402 /nfs/dbraw/zinc/45/54/02/1031455402.db2.gz VWYRCAZBWQTXNL-HNNXBMFYSA-N 1 1 341.405 3.715 20 30 EHEDMO CCC(C#N)(CC)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000527979157 1031516920 /nfs/dbraw/zinc/51/69/20/1031516920.db2.gz KKQKWQJOUHNHTC-QGZVFWFLSA-N 1 1 341.499 3.865 20 30 EHEDMO N#C[C@@]1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC12CCCC2 ZINC000448773825 1031662051 /nfs/dbraw/zinc/66/20/51/1031662051.db2.gz WQCIGHXJRHEHLF-OAQYLSRUSA-N 1 1 343.515 3.575 20 30 EHEDMO C[C@@H]1[C@@H](NC(=O)Nc2cccc(CC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000455904028 1031755141 /nfs/dbraw/zinc/75/51/41/1031755141.db2.gz JFPRWGKNMFVVEB-UZLBHIALSA-N 1 1 348.450 3.537 20 30 EHEDMO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1OC)CC1CCCCC1 ZINC000484632120 1031828037 /nfs/dbraw/zinc/82/80/37/1031828037.db2.gz XKVJWHLTQXMSIG-KRWDZBQOSA-N 1 1 344.499 3.941 20 30 EHEDMO C=CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC1CCCCC1 ZINC000484670969 1031854661 /nfs/dbraw/zinc/85/46/61/1031854661.db2.gz QKEYQSMRXXIHEE-UHFFFAOYSA-N 1 1 345.443 3.910 20 30 EHEDMO C=CC[N@H+](CC(=O)N[C@@H]1CCOc2ccccc21)CC1CCCCC1 ZINC000484671991 1031858768 /nfs/dbraw/zinc/85/87/68/1031858768.db2.gz UKBUBLWISFNIDY-LJQANCHMSA-N 1 1 342.483 3.695 20 30 EHEDMO C=CCOc1c(Cl)cc(C[N@@H+](C)CC2(O)CCCC2)cc1OC ZINC000628179022 1031983699 /nfs/dbraw/zinc/98/36/99/1031983699.db2.gz LQFPGYAJLIYRKI-UHFFFAOYSA-N 1 1 339.863 3.650 20 30 EHEDMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598586516 1033315436 /nfs/dbraw/zinc/31/54/36/1033315436.db2.gz HLLILKDGGMXJTK-IUODEOHRSA-N 1 1 328.378 3.999 20 30 EHEDMO COc1ccc(OC)c(C[N@@H+](C[C@H](O)CC(C)(C)C#N)C(C)(C)C)c1 ZINC000598592850 1033316190 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/nfs/dbraw/zinc/41/53/41/1034415341.db2.gz KDNBZHSMMGVMOQ-IRXDYDNUSA-N 1 1 336.426 3.817 20 30 EHEDMO CCC[N@H+](Cc1cc(C(F)(F)F)nn1C)Cc1ccc(C#N)cc1 ZINC000596984215 1034482284 /nfs/dbraw/zinc/48/22/84/1034482284.db2.gz RCQFUALYAOXSLY-UHFFFAOYSA-N 1 1 336.361 3.723 20 30 EHEDMO CCC[N@@H+](Cc1cc(C(F)(F)F)nn1C)Cc1ccc(C#N)cc1 ZINC000596984215 1034482290 /nfs/dbraw/zinc/48/22/90/1034482290.db2.gz RCQFUALYAOXSLY-UHFFFAOYSA-N 1 1 336.361 3.723 20 30 EHEDMO N#CC1(c2ccc(CN3CCC[N@@H+](Cc4ccccc4)CC3)cc2)CC1 ZINC000596986508 1034483512 /nfs/dbraw/zinc/48/35/12/1034483512.db2.gz UUDJKHJRKUOBRT-UHFFFAOYSA-N 1 1 345.490 3.950 20 30 EHEDMO N#CC1(c2ccc(C[N@@H+]3CCCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000596986508 1034483523 /nfs/dbraw/zinc/48/35/23/1034483523.db2.gz UUDJKHJRKUOBRT-UHFFFAOYSA-N 1 1 345.490 3.950 20 30 EHEDMO N#CC1(c2ccc(C[N@H+]3CCCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000596986508 1034483527 /nfs/dbraw/zinc/48/35/27/1034483527.db2.gz UUDJKHJRKUOBRT-UHFFFAOYSA-N 1 1 345.490 3.950 20 30 EHEDMO COCCC[N@@H+](Cc1ccncc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597130533 1034551729 /nfs/dbraw/zinc/55/17/29/1034551729.db2.gz SMSSLUJBJLMGNO-UHFFFAOYSA-N 1 1 335.451 3.675 20 30 EHEDMO N#CC1(c2ccc(C[N@H+](Cc3cccc(C(N)=O)c3)C3CC3)cc2)CC1 ZINC000597134987 1034556860 /nfs/dbraw/zinc/55/68/60/1034556860.db2.gz CQUGWNMMCCWQFE-UHFFFAOYSA-N 1 1 345.446 3.505 20 30 EHEDMO C[C@H](C#N)N(Cc1c[nH+]c2n1CCC2)Cc1cccc(C(F)(F)F)c1 ZINC000597160190 1034571895 /nfs/dbraw/zinc/57/18/95/1034571895.db2.gz KFIMHMVKKIISKK-CYBMUJFWSA-N 1 1 348.372 3.762 20 30 EHEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000597173856 1034581906 /nfs/dbraw/zinc/58/19/06/1034581906.db2.gz LVJIRSCGFNSDNU-CQSZACIVSA-N 1 1 325.368 3.980 20 30 EHEDMO C[C@@H](c1ccccc1)[C@H](O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000450643046 1034609453 /nfs/dbraw/zinc/60/94/53/1034609453.db2.gz CZVJLWSOTPGCON-HTAPYJJXSA-N 1 1 332.447 3.812 20 30 EHEDMO CCN(C(=O)c1ccc(C#N)cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000364479940 1034658729 /nfs/dbraw/zinc/65/87/29/1034658729.db2.gz CXDHZNRQMXBLNO-UWJYYQICSA-N 1 1 347.462 3.856 20 30 EHEDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)/C=C/c2ccccc2C#N)c1 ZINC000171852906 1034671180 /nfs/dbraw/zinc/67/11/80/1034671180.db2.gz YXLARIYNCWCTHP-VAWYXSNFSA-N 1 1 347.462 3.728 20 30 EHEDMO N#Cc1cnc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2sccc21 ZINC000601132571 1034678224 /nfs/dbraw/zinc/67/82/24/1034678224.db2.gz JTCZPFRDHBILCN-CXAGYDPISA-N 1 1 338.480 3.621 20 30 EHEDMO CC[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1ccc(F)cc1 ZINC000053087822 1034689507 /nfs/dbraw/zinc/68/95/07/1034689507.db2.gz SOCVFYOUWUYKQX-AWEZNQCLSA-N 1 1 325.387 3.719 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1ccc(F)cc1 ZINC000053087822 1034689517 /nfs/dbraw/zinc/68/95/17/1034689517.db2.gz SOCVFYOUWUYKQX-AWEZNQCLSA-N 1 1 325.387 3.719 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)N2Cc3cccc(C#N)c3C2)cc1)C(C)C ZINC000593365013 1034799815 /nfs/dbraw/zinc/79/98/15/1034799815.db2.gz JXVFJBDUQPRRTR-UHFFFAOYSA-N 1 1 347.462 3.945 20 30 EHEDMO C=CC[N@@H+](CCC(=O)Nc1cccc(F)c1)CCc1ccccc1 ZINC000062364233 1034848625 /nfs/dbraw/zinc/84/86/25/1034848625.db2.gz JKXMFNDCHGJVKR-UHFFFAOYSA-N 1 1 326.415 3.885 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000548927919 1034906790 /nfs/dbraw/zinc/90/67/90/1034906790.db2.gz NQYZBUBTEHFLSU-LSDHHAIUSA-N 1 1 346.437 3.854 20 30 EHEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(C#N)cc3OC(F)F)c2C[C@@H]1C ZINC000450997269 1035008616 /nfs/dbraw/zinc/00/86/16/1035008616.db2.gz JOOHDKLRCDVPTN-NEPJUHHUSA-N 1 1 331.366 3.775 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1csc(-c2cnn(C)c2)n1 ZINC000065959298 1035029578 /nfs/dbraw/zinc/02/95/78/1035029578.db2.gz SYPIUJFECRTIOG-UHFFFAOYSA-N 1 1 338.480 3.774 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)Cc1csc(-c2cnn(C)c2)n1 ZINC000065959298 1035029588 /nfs/dbraw/zinc/02/95/88/1035029588.db2.gz SYPIUJFECRTIOG-UHFFFAOYSA-N 1 1 338.480 3.774 20 30 EHEDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccccc1-c1ccccc1C#N ZINC000066126514 1035240787 /nfs/dbraw/zinc/24/07/87/1035240787.db2.gz YBISMOVMHGFTDM-INIZCTEOSA-N 1 1 335.451 3.685 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3c(Cl)cc(Cl)cc3C2)cc1 ZINC000164290817 1035515540 /nfs/dbraw/zinc/51/55/40/1035515540.db2.gz QVQOINVXKGTTEA-GOSISDBHSA-N 1 1 347.245 3.957 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCc3c(Cl)cc(Cl)cc3C2)cc1 ZINC000164290817 1035515550 /nfs/dbraw/zinc/51/55/50/1035515550.db2.gz QVQOINVXKGTTEA-GOSISDBHSA-N 1 1 347.245 3.957 20 30 EHEDMO CN(CCC[N@@H+](C)Cc1ccco1)c1nc(C(C)(C)C)ccc1C#N ZINC000588083433 1035707176 /nfs/dbraw/zinc/70/71/76/1035707176.db2.gz YVOPYJDPVHAODD-UHFFFAOYSA-N 1 1 340.471 3.802 20 30 EHEDMO C[C@H]1C[C@@H](NC(=O)CCCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000588160520 1035731685 /nfs/dbraw/zinc/73/16/85/1035731685.db2.gz ACLCQAGQPSAYQS-HKUYNNGSSA-N 1 1 327.472 3.630 20 30 EHEDMO CC[C@@H]1CN(C(=O)CCCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000588164040 1035734308 /nfs/dbraw/zinc/73/43/08/1035734308.db2.gz DNMXASFFHGZTJJ-LJQANCHMSA-N 1 1 327.472 3.583 20 30 EHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000457101254 1035740237 /nfs/dbraw/zinc/74/02/37/1035740237.db2.gz XRORSWSEZNAJGE-OAHLLOKOSA-N 1 1 341.480 3.636 20 30 EHEDMO C[C@@H](O)[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1F ZINC000571929921 1035864563 /nfs/dbraw/zinc/86/45/63/1035864563.db2.gz MCTJYAQWDQWOOU-FOIQADDNSA-N 1 1 342.414 3.720 20 30 EHEDMO CCOC(=O)[C@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)Cc2ccccc21 ZINC000442688607 1035892709 /nfs/dbraw/zinc/89/27/09/1035892709.db2.gz PRDBQQSJGXJNHA-QRWLVFNGSA-N 1 1 334.419 3.782 20 30 EHEDMO N#CCC1CC[NH+](CC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000541021166 1035907316 /nfs/dbraw/zinc/90/73/16/1035907316.db2.gz VLHSHMLIOATPBH-UHFFFAOYSA-N 1 1 347.462 3.842 20 30 EHEDMO OC[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cccc(F)c1 ZINC000541024183 1035912073 /nfs/dbraw/zinc/91/20/73/1035912073.db2.gz KTBHHNVDQOJHTF-KRWDZBQOSA-N 1 1 337.316 3.519 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)CCCCCC#N ZINC000588663321 1035926702 /nfs/dbraw/zinc/92/67/02/1035926702.db2.gz QGLHXZFZJRDODB-QZTJIDSGSA-N 1 1 327.472 3.582 20 30 EHEDMO C[Si](C)(C)CCOCn1ccc2c1nc[nH+]c2NCCCCC#N ZINC001168427068 1035967315 /nfs/dbraw/zinc/96/73/15/1035967315.db2.gz FNKLASLDSOAYKN-UHFFFAOYSA-N 1 1 345.523 3.849 20 30 EHEDMO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000572012425 1035970297 /nfs/dbraw/zinc/97/02/97/1035970297.db2.gz OUSPJHNPGQHQOX-LPHOPBHVSA-N 1 1 335.451 3.563 20 30 EHEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)c1ccc(F)c(F)c1 ZINC000187791914 1035997708 /nfs/dbraw/zinc/99/77/08/1035997708.db2.gz NGEKFLKEUPGPCL-KSSFIOAISA-N 1 1 336.426 3.963 20 30 EHEDMO C[C@H]1CCC[C@H]([NH+]2CCC(NCCOc3ccc(C#N)cc3)CC2)C1 ZINC000090107829 1036048781 /nfs/dbraw/zinc/04/87/81/1036048781.db2.gz JAWASXXDWFMUEC-PXNSSMCTSA-N 1 1 341.499 3.570 20 30 EHEDMO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000153183650 1036328773 /nfs/dbraw/zinc/32/87/73/1036328773.db2.gz MNUKCYZUJNFORB-UHFFFAOYSA-N 1 1 340.398 3.653 20 30 EHEDMO C=CC[N@H+](CCOC)Cc1ccc(Br)c2cccnc12 ZINC000191761244 1036427473 /nfs/dbraw/zinc/42/74/73/1036427473.db2.gz MEXYYNKOAHXKIW-UHFFFAOYSA-N 1 1 335.245 3.632 20 30 EHEDMO C[C@@H](NCC#Cc1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603471 1036507015 /nfs/dbraw/zinc/50/70/15/1036507015.db2.gz OJORINWOZBTXOK-AEFFLSMTSA-N 1 1 330.903 3.934 20 30 EHEDMO Clc1ccc(C#CC[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000535550938 1036631442 /nfs/dbraw/zinc/63/14/42/1036631442.db2.gz NQFOOAJCDSCONS-ROUUACIJSA-N 1 1 335.900 3.678 20 30 EHEDMO C[C@H]1CN(c2nc(C(C)(C)C)ccc2C#N)CC[N@H+](C2CCC2)C1 ZINC000589877303 1036648653 /nfs/dbraw/zinc/64/86/53/1036648653.db2.gz HJIOKOVTLRTUMU-OAHLLOKOSA-N 1 1 326.488 3.561 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464758894 1036740938 /nfs/dbraw/zinc/74/09/38/1036740938.db2.gz RSCLBOJVEXSYNG-QZTJIDSGSA-N 1 1 344.524 3.690 20 30 EHEDMO C[C@@H](C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1cccc(Cl)c1 ZINC000428787228 1036795776 /nfs/dbraw/zinc/79/57/76/1036795776.db2.gz JLFQRTHZVOJYAJ-KBXCAEBGSA-N 1 1 341.842 3.863 20 30 EHEDMO CC(C)(C)CCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000103428819 1036979599 /nfs/dbraw/zinc/97/95/99/1036979599.db2.gz NTXMVJABWJKDLR-UHFFFAOYSA-N 1 1 341.499 3.809 20 30 EHEDMO C=CCCSc1nnc([C@H](CC)[NH+](C)C)n1-c1ccc(OC)cc1 ZINC000176535587 1037038119 /nfs/dbraw/zinc/03/81/19/1037038119.db2.gz RFPVQSGBIHTNJQ-INIZCTEOSA-N 1 1 346.500 3.957 20 30 EHEDMO Cc1cccn2cc(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)nc12 ZINC000609145976 1037061684 /nfs/dbraw/zinc/06/16/84/1037061684.db2.gz NPLHYFCULFERFQ-UHFFFAOYSA-N 1 1 346.434 3.558 20 30 EHEDMO C=C(C)COc1cc(CN(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)ccc1OC ZINC000539818772 1037236890 /nfs/dbraw/zinc/23/68/90/1037236890.db2.gz LEIJXTZTHPCYSV-PKOBYXMFSA-N 1 1 346.515 3.955 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)ccc1OC ZINC000539818772 1037236937 /nfs/dbraw/zinc/23/69/37/1037236937.db2.gz LEIJXTZTHPCYSV-PKOBYXMFSA-N 1 1 346.515 3.955 20 30 EHEDMO C=C(C)COc1cc(C[N@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)ccc1OC ZINC000539818772 1037236945 /nfs/dbraw/zinc/23/69/45/1037236945.db2.gz LEIJXTZTHPCYSV-PKOBYXMFSA-N 1 1 346.515 3.955 20 30 EHEDMO CC[C@@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000104221066 1037246657 /nfs/dbraw/zinc/24/66/57/1037246657.db2.gz ZQRASTWUMKFONL-FQEVSTJZSA-N 1 1 341.499 3.665 20 30 EHEDMO COC[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000539829470 1037255793 /nfs/dbraw/zinc/25/57/93/1037255793.db2.gz YPNZJBQFCONLSQ-SFHVURJKSA-N 1 1 336.435 3.606 20 30 EHEDMO COc1ccc([C@@H]([NH2+]Cc2ccnc(C#N)c2)c2ccc(F)cc2)cc1 ZINC000610955933 1037341092 /nfs/dbraw/zinc/34/10/92/1037341092.db2.gz JIJPCEHLXSQZJJ-NRFANRHFSA-N 1 1 347.393 3.980 20 30 EHEDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000181223363 1037454796 /nfs/dbraw/zinc/45/47/96/1037454796.db2.gz VVMMMQHHOAEBKA-CYBMUJFWSA-N 1 1 327.291 3.894 20 30 EHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1nncn1-c1ccccc1 ZINC000573419001 1037488790 /nfs/dbraw/zinc/48/87/90/1037488790.db2.gz IEABBULNLAWVAT-FQEVSTJZSA-N 1 1 343.434 3.696 20 30 EHEDMO C[C@H]1CCN(Cc2cccc(C#N)c2F)CC[N@H+]1Cc1ccccc1 ZINC000352893125 1037489162 /nfs/dbraw/zinc/48/91/62/1037489162.db2.gz MOIOAJZXCASNCO-KRWDZBQOSA-N 1 1 337.442 3.794 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1ccc(-c2cnn(C)c2)s1)c1ccc(F)cc1 ZINC000491688339 1037621440 /nfs/dbraw/zinc/62/14/40/1037621440.db2.gz ATWOZUIOXGGBPI-QGZVFWFLSA-N 1 1 325.412 3.752 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000591808636 1037650550 /nfs/dbraw/zinc/65/05/50/1037650550.db2.gz VTLCBJFHYFSWAK-MRXNPFEDSA-N 1 1 327.472 3.732 20 30 EHEDMO CCN1CC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@H](C)C1 ZINC000540182271 1037666887 /nfs/dbraw/zinc/66/68/87/1037666887.db2.gz SGFBDXODMMWQOL-WQUXRXDGSA-N 1 1 341.499 3.568 20 30 EHEDMO CC[N@H+](Cc1cccc(F)c1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000152817714 1037730703 /nfs/dbraw/zinc/73/07/03/1037730703.db2.gz UPFPJODMTYZRSQ-CYBMUJFWSA-N 1 1 343.402 3.756 20 30 EHEDMO CC[N@@H+](Cc1cccc(F)c1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000152817714 1037730717 /nfs/dbraw/zinc/73/07/17/1037730717.db2.gz UPFPJODMTYZRSQ-CYBMUJFWSA-N 1 1 343.402 3.756 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000540286221 1037766412 /nfs/dbraw/zinc/76/64/12/1037766412.db2.gz NHVBDZFMOGSATG-SOLBZPMBSA-N 1 1 334.467 3.948 20 30 EHEDMO CC(C)([NH2+]Cc1ccncc1C#N)c1ccc(Br)cc1 ZINC000592072564 1037826099 /nfs/dbraw/zinc/82/60/99/1037826099.db2.gz AXYDINRITBGHFP-UHFFFAOYSA-N 1 1 330.229 3.741 20 30 EHEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](O)[C@H]2CCc2ccccc2)ccc1F ZINC000592166139 1037909567 /nfs/dbraw/zinc/90/95/67/1037909567.db2.gz GXOQCCVKLRQLMG-RTWAWAEBSA-N 1 1 338.426 3.655 20 30 EHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](O)[C@@H]2CCc2ccccc2)c1 ZINC000592167572 1037914087 /nfs/dbraw/zinc/91/40/87/1037914087.db2.gz MQXVPDCTTDIZQZ-SFTDATJTSA-N 1 1 338.426 3.655 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000378342965 1038488984 /nfs/dbraw/zinc/48/89/84/1038488984.db2.gz RBNSVURMEBVUNK-OAQYLSRUSA-N 1 1 335.451 3.610 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000378342965 1038488986 /nfs/dbraw/zinc/48/89/86/1038488986.db2.gz RBNSVURMEBVUNK-OAQYLSRUSA-N 1 1 335.451 3.610 20 30 EHEDMO C=C(CC)C[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000539103335 1038688171 /nfs/dbraw/zinc/68/81/71/1038688171.db2.gz OJTKSGBNTOFCEC-CYBMUJFWSA-N 1 1 338.377 3.894 20 30 EHEDMO CC[N@H+]1CCCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000539184045 1038721897 /nfs/dbraw/zinc/72/18/97/1038721897.db2.gz UJPKUTPYGBEETR-UHFFFAOYSA-N 1 1 347.462 3.646 20 30 EHEDMO C=CCCC[C@H](C)NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487995769 1038780500 /nfs/dbraw/zinc/78/05/00/1038780500.db2.gz RWMPMLKNLBMNDU-BJLQDIEVSA-N 1 1 343.515 3.941 20 30 EHEDMO N#Cc1ccc(-c2nnc(C[NH2+][C@@H](c3cccs3)C3CC3)o2)cc1 ZINC000539369924 1038833479 /nfs/dbraw/zinc/83/34/79/1038833479.db2.gz LYDQDFINGFAHJK-QGZVFWFLSA-N 1 1 336.420 3.911 20 30 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CCc1ccccc1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194967287 1123095639 /nfs/dbraw/zinc/09/56/39/1123095639.db2.gz CFUPQCQSHSOFIX-UHFFFAOYSA-N 1 1 333.435 3.724 20 30 EHEDMO FC(F)(F)c1ccc(C#CC[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000131688178 1123165532 /nfs/dbraw/zinc/16/55/32/1123165532.db2.gz SQYHHCVMYZZYCC-GOSISDBHSA-N 1 1 346.352 3.605 20 30 EHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000131688178 1123165536 /nfs/dbraw/zinc/16/55/36/1123165536.db2.gz SQYHHCVMYZZYCC-GOSISDBHSA-N 1 1 346.352 3.605 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)/C=C/c2ccccc2C#N)C1 ZINC000919857618 1123186420 /nfs/dbraw/zinc/18/64/20/1123186420.db2.gz SULRJDMGCQXSSX-BUGVJISQSA-N 1 1 345.446 3.523 20 30 EHEDMO C#CCC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000920417645 1123365783 /nfs/dbraw/zinc/36/57/83/1123365783.db2.gz KOTUGBBGWMCKJU-LJQANCHMSA-N 1 1 327.449 3.736 20 30 EHEDMO C[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)C[C@@H](c2ccccc2)O1 ZINC000920417652 1123365960 /nfs/dbraw/zinc/36/59/60/1123365960.db2.gz KRKGQUCNYWRTIV-UTKZUKDTSA-N 1 1 336.435 3.789 20 30 EHEDMO C[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)C[C@@H](c2ccccc2)O1 ZINC000920417652 1123365964 /nfs/dbraw/zinc/36/59/64/1123365964.db2.gz KRKGQUCNYWRTIV-UTKZUKDTSA-N 1 1 336.435 3.789 20 30 EHEDMO COc1ccc(OC)c(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000237234093 1123501452 /nfs/dbraw/zinc/50/14/52/1123501452.db2.gz AVRVPMNSTQFWIC-UHFFFAOYSA-N 1 1 349.352 3.864 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCC2(CCCCC2)C1 ZINC000609541361 1123607554 /nfs/dbraw/zinc/60/75/54/1123607554.db2.gz KUZDUFHPZKOSJY-MRXNPFEDSA-N 1 1 325.456 3.932 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(OC)cc(C(F)(F)F)c2)no1 ZINC001212324876 1124664922 /nfs/dbraw/zinc/66/49/22/1124664922.db2.gz AKMITAGUBWCFIJ-ZDUSSCGKSA-N 1 1 339.317 3.567 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)c(F)c2)no1 ZINC001212324882 1124665100 /nfs/dbraw/zinc/66/51/00/1124665100.db2.gz AQHSYGOVIJVAKR-LBPRGKRZSA-N 1 1 327.281 3.698 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H](C)C1 ZINC000248540234 1124671023 /nfs/dbraw/zinc/67/10/23/1124671023.db2.gz BEBMDLIWEFCRKY-HZPDHXFCSA-N 1 1 345.512 3.999 20 30 EHEDMO C=CCC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1)c1ccccc1 ZINC000249532022 1124763250 /nfs/dbraw/zinc/76/32/50/1124763250.db2.gz BDFNTKYVRRZOEK-AZUAARDMSA-N 1 1 328.500 3.927 20 30 EHEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000324857271 1124818444 /nfs/dbraw/zinc/81/84/44/1124818444.db2.gz GSMLCTZEJOPFDI-KSSFIOAISA-N 1 1 344.842 3.644 20 30 EHEDMO CCOCCC[N@H+]1CCC(N=Nc2nccc3sccc32)[C@@H](C)C1 ZINC000735229770 1131319185 /nfs/dbraw/zinc/31/91/85/1131319185.db2.gz QSEIMCYPPRBDSI-AWEZNQCLSA-N 1 1 346.500 3.833 20 30 EHEDMO C=C(Br)C[NH2+][C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000181838865 1125053301 /nfs/dbraw/zinc/05/33/01/1125053301.db2.gz SDEYRDSCXUZGBA-CQSZACIVSA-N 1 1 326.234 3.568 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](COCC)C2)ccc1OC ZINC000093419557 1125246333 /nfs/dbraw/zinc/24/63/33/1125246333.db2.gz UYWFEIODFHIDTK-GOSISDBHSA-N 1 1 333.472 3.899 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000619073609 1125272281 /nfs/dbraw/zinc/27/22/81/1125272281.db2.gz LWMFEDVEXQFZQU-QGZVFWFLSA-N 1 1 344.462 3.918 20 30 EHEDMO CN(C)c1nc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cs1 ZINC000619508361 1125354649 /nfs/dbraw/zinc/35/46/49/1125354649.db2.gz ISBJUAMCQFPWAN-KRWDZBQOSA-N 1 1 326.469 3.638 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000182737103 1125362311 /nfs/dbraw/zinc/36/23/11/1125362311.db2.gz PPERFJVNJONTDP-HNNXBMFYSA-N 1 1 332.407 3.583 20 30 EHEDMO C[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000198391965 1125441722 /nfs/dbraw/zinc/44/17/22/1125441722.db2.gz GBMSDYLQJQUIJH-CYBMUJFWSA-N 1 1 325.437 3.568 20 30 EHEDMO C=C(CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000673342370 1129312453 /nfs/dbraw/zinc/31/24/53/1129312453.db2.gz LISARONFMOPWDE-OAQYLSRUSA-N 1 1 334.463 3.728 20 30 EHEDMO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000067975202 1129327152 /nfs/dbraw/zinc/32/71/52/1129327152.db2.gz BBXDVKPVFOQDJI-ZDUSSCGKSA-N 1 1 343.377 3.858 20 30 EHEDMO CC(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000532503257 1129445362 /nfs/dbraw/zinc/44/53/62/1129445362.db2.gz WNOGVXCQJMANLE-ZDUSSCGKSA-N 1 1 333.501 3.803 20 30 EHEDMO C=CCCO[C@H](C)C(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000347713765 1129471196 /nfs/dbraw/zinc/47/11/96/1129471196.db2.gz UFPKOKPJPKNWTK-NSHGMRRFSA-N 1 1 344.499 3.652 20 30 EHEDMO CCC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000466480091 1129484080 /nfs/dbraw/zinc/48/40/80/1129484080.db2.gz AGLXPTHUVOIIQW-DLBZAZTESA-N 1 1 345.462 3.973 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000265858700 1129510187 /nfs/dbraw/zinc/51/01/87/1129510187.db2.gz RQCGXBVBCVNMQE-IIDMSEBBSA-N 1 1 343.471 3.854 20 30 EHEDMO N#Cc1c(F)cccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000428942793 1129624609 /nfs/dbraw/zinc/62/46/09/1129624609.db2.gz OIDMNNMJRJSKIY-SVFBPWRDSA-N 1 1 336.410 3.702 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)cc1 ZINC000922700169 1129631544 /nfs/dbraw/zinc/63/15/44/1129631544.db2.gz HADFVTBQTOUZDQ-CYBMUJFWSA-N 1 1 327.453 3.603 20 30 EHEDMO CC(C)CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C1CC1 ZINC000279482251 1129657101 /nfs/dbraw/zinc/65/71/01/1129657101.db2.gz WZLYNUSQIYEYOX-UHFFFAOYSA-N 1 1 337.471 3.869 20 30 EHEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(Cc2ccccc2C(C)(C)C#N)C[C@@H](C)C1 ZINC000429041502 1129716542 /nfs/dbraw/zinc/71/65/42/1129716542.db2.gz PMWJQVBXTSRYQQ-UWVAXJGDSA-N 1 1 325.500 3.650 20 30 EHEDMO C[C@H]1C[C@@H]1N1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H](C)C1 ZINC000429041502 1129716545 /nfs/dbraw/zinc/71/65/45/1129716545.db2.gz PMWJQVBXTSRYQQ-UWVAXJGDSA-N 1 1 325.500 3.650 20 30 EHEDMO C[C@H]1C[C@@H]1N1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H](C)C1 ZINC000429041502 1129716546 /nfs/dbraw/zinc/71/65/46/1129716546.db2.gz PMWJQVBXTSRYQQ-UWVAXJGDSA-N 1 1 325.500 3.650 20 30 EHEDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000156617128 1129728647 /nfs/dbraw/zinc/72/86/47/1129728647.db2.gz FFZYQCVMTCXCPW-IBGZPJMESA-N 1 1 347.462 3.525 20 30 EHEDMO CC[N@@H+](Cc1cnn(CC(F)(F)F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000351624139 1129826989 /nfs/dbraw/zinc/82/69/89/1129826989.db2.gz XGJJQGYZUSKHQY-CYBMUJFWSA-N 1 1 336.361 3.900 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000162549900 1129859967 /nfs/dbraw/zinc/85/99/67/1129859967.db2.gz HCRJZPZADOEPGG-UHFFFAOYSA-N 1 1 339.483 3.595 20 30 EHEDMO C#CCN(C(=O)NCc1ccccc1C[N@H+](C)C(C)C)C1CCCC1 ZINC000163170623 1129921683 /nfs/dbraw/zinc/92/16/83/1129921683.db2.gz JVCCZHOJLBUQLH-UHFFFAOYSA-N 1 1 341.499 3.614 20 30 EHEDMO C[NH+](C)[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000039514903 1130138984 /nfs/dbraw/zinc/13/89/84/1130138984.db2.gz LZQZOEYIDTUCMW-QGZVFWFLSA-N 1 1 344.802 3.835 20 30 EHEDMO CCOc1cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)ccc1OC ZINC001212538791 1130330957 /nfs/dbraw/zinc/33/09/57/1130330957.db2.gz KSIJSYHCANTTDF-UHFFFAOYSA-N 1 1 343.452 3.759 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)o1 ZINC000174284391 1130347325 /nfs/dbraw/zinc/34/73/25/1130347325.db2.gz XPVZGPJKWPZPDM-UHFFFAOYSA-N 1 1 349.365 3.832 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000246323149 1130372571 /nfs/dbraw/zinc/37/25/71/1130372571.db2.gz HJWDLTVKAVFHIC-RDJZCZTQSA-N 1 1 343.471 3.808 20 30 EHEDMO C=CC[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)C ZINC000731030769 1130759881 /nfs/dbraw/zinc/75/98/81/1130759881.db2.gz LHWNAVWZODNPNO-HNNXBMFYSA-N 1 1 331.485 3.916 20 30 EHEDMO C=CC[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)C ZINC000731030769 1130759884 /nfs/dbraw/zinc/75/98/84/1130759884.db2.gz LHWNAVWZODNPNO-HNNXBMFYSA-N 1 1 331.485 3.916 20 30 EHEDMO CCOc1ccc(O)c(/C=N\C[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000731938928 1130868181 /nfs/dbraw/zinc/86/81/81/1130868181.db2.gz XMGVPOJRHPPKGJ-AKGOGDBKSA-N 1 1 326.440 3.730 20 30 EHEDMO CCCCCCCCCC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000732127905 1130886560 /nfs/dbraw/zinc/88/65/60/1130886560.db2.gz QTZGRBLKZKZYJG-LJQANCHMSA-N 1 1 338.536 3.840 20 30 EHEDMO C#CCCOc1ccc(C[NH2+]Cc2nc3ccccc3n2CC)cc1 ZINC000733328228 1131026796 /nfs/dbraw/zinc/02/67/96/1131026796.db2.gz MMKYPDCNFMQUQT-UHFFFAOYSA-N 1 1 333.435 3.748 20 30 EHEDMO C#CCOc1ccc(C[NH2+]Cc2nc(-c3ccncc3)cs2)cc1 ZINC000733331832 1131027514 /nfs/dbraw/zinc/02/75/14/1131027514.db2.gz ULEQDWYQRWAZMA-UHFFFAOYSA-N 1 1 335.432 3.507 20 30 EHEDMO C=CCOCCC[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000348055143 1131134868 /nfs/dbraw/zinc/13/48/68/1131134868.db2.gz OVZPPMCDUXDDED-WIYYLYMNSA-N 1 1 345.531 3.515 20 30 EHEDMO C=CCOc1ccc(C[NH2+]Cc2nc3cc(F)ccc3n2C)cc1 ZINC000736358068 1131418221 /nfs/dbraw/zinc/41/82/21/1131418221.db2.gz QLQIQNIATCAQCH-UHFFFAOYSA-N 1 1 325.387 3.567 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](CC(C)C)C1CCCC1 ZINC000739845258 1131514167 /nfs/dbraw/zinc/51/41/67/1131514167.db2.gz HZCPTMVEONBWSH-UHFFFAOYSA-N 1 1 337.471 3.983 20 30 EHEDMO C#CCOc1ccccc1C[NH2+]CC(C)(C)N[C@H](C)c1ccccc1 ZINC000740008121 1131516039 /nfs/dbraw/zinc/51/60/39/1131516039.db2.gz WTSYZNJVRQOEAU-GOSISDBHSA-N 1 1 336.479 3.918 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000739915762 1131516697 /nfs/dbraw/zinc/51/66/97/1131516697.db2.gz SDSJOYIDKWKXPB-YSGRDPCXSA-N 1 1 334.419 3.650 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000739915762 1131516700 /nfs/dbraw/zinc/51/67/00/1131516700.db2.gz SDSJOYIDKWKXPB-YSGRDPCXSA-N 1 1 334.419 3.650 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000739913385 1131516843 /nfs/dbraw/zinc/51/68/43/1131516843.db2.gz AUWSWOUSUYBSJM-PBEJRMEISA-N 1 1 348.446 3.959 20 30 EHEDMO CCC[N@@H+](CCCOc1ccc(C#N)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000740885025 1131553610 /nfs/dbraw/zinc/55/36/10/1131553610.db2.gz YCUFNCMPDJRQPO-ZCNNSNEGSA-N 1 1 342.483 3.853 20 30 EHEDMO Cc1nc(Cl)cc(N=NC2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000741765235 1131642257 /nfs/dbraw/zinc/64/22/57/1131642257.db2.gz ASULHXUPBBFGTK-ZDUSSCGKSA-N 1 1 343.862 3.891 20 30 EHEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC001172495727 1131758937 /nfs/dbraw/zinc/75/89/37/1131758937.db2.gz UNIDJFKHGCWMIS-LPHOPBHVSA-N 1 1 345.512 3.759 20 30 EHEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001172498697 1131760204 /nfs/dbraw/zinc/76/02/04/1131760204.db2.gz NHFSZRIBSIFKOR-FXAWDEMLSA-N 1 1 329.463 3.948 20 30 EHEDMO C[C@@H](CCCC#N)N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001172498697 1131760209 /nfs/dbraw/zinc/76/02/09/1131760209.db2.gz NHFSZRIBSIFKOR-FXAWDEMLSA-N 1 1 329.463 3.948 20 30 EHEDMO C[C@@H](CCCC#N)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001172498697 1131760213 /nfs/dbraw/zinc/76/02/13/1131760213.db2.gz NHFSZRIBSIFKOR-FXAWDEMLSA-N 1 1 329.463 3.948 20 30 EHEDMO CCCCCCCC[C@@H](CC)[NH+]1CC2(C1)[C@@H](CF)CCS2(=O)=O ZINC001172505071 1131762336 /nfs/dbraw/zinc/76/23/36/1131762336.db2.gz JMPXAJRTOSQZBB-IAGOWNOFSA-N 1 1 347.540 3.974 20 30 EHEDMO CC(C)OC(=O)CC[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001172761102 1131837750 /nfs/dbraw/zinc/83/77/50/1131837750.db2.gz DLXLYWYVVZYWFG-VQIMIIECSA-N 1 1 344.455 3.522 20 30 EHEDMO COc1ccc(O)c(/C=N/[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000743044377 1131842323 /nfs/dbraw/zinc/84/23/23/1131842323.db2.gz IJQLAZSVQGJATO-SDLXJUDFSA-N 1 1 335.407 3.537 20 30 EHEDMO CCOc1ccc(/C=N\[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(O)c1 ZINC000743044160 1131842711 /nfs/dbraw/zinc/84/27/11/1131842711.db2.gz FZPBGGZHSCTDSZ-MIDMBNTASA-N 1 1 349.434 3.927 20 30 EHEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000743397898 1131911644 /nfs/dbraw/zinc/91/16/44/1131911644.db2.gz DODLLRNMCMASJM-MSOLQXFVSA-N 1 1 340.496 3.985 20 30 EHEDMO C=CCSc1nc2ccccc2n1CN1CC[C@H](C[N@H+](C)CC)C1 ZINC000743400658 1131911701 /nfs/dbraw/zinc/91/17/01/1131911701.db2.gz TZEJFKCMIVXBBH-MRXNPFEDSA-N 1 1 344.528 3.546 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911327 1131918036 /nfs/dbraw/zinc/91/80/36/1131918036.db2.gz SHFMAWYNXUOHLF-LJQANCHMSA-N 1 1 335.407 3.846 20 30 EHEDMO C[C@H]([NH2+]Cc1cccc(Br)c1O)c1cccc(C#N)c1 ZINC000743496952 1131934380 /nfs/dbraw/zinc/93/43/80/1131934380.db2.gz UNIKAZMDPFPULL-NSHDSACASA-N 1 1 331.213 3.877 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C1CCC(OCCC)CC1)C2 ZINC001173097551 1131954270 /nfs/dbraw/zinc/95/42/70/1131954270.db2.gz CEQZKDYATHICOJ-GUMHCPJTSA-N 1 1 337.504 3.550 20 30 EHEDMO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@H](CCCC)CC(C)C ZINC001173260049 1132023036 /nfs/dbraw/zinc/02/30/36/1132023036.db2.gz KOJDYTSFDLLMJO-SJLPKXTDSA-N 1 1 334.508 3.522 20 30 EHEDMO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1C1CCC(CC#N)CC1 ZINC001173331776 1132050162 /nfs/dbraw/zinc/05/01/62/1132050162.db2.gz TVQITKAJDTVPLY-KLAILNCOSA-N 1 1 335.492 3.790 20 30 EHEDMO N#CCC1CCC([N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)CC1 ZINC001173334225 1132051554 /nfs/dbraw/zinc/05/15/54/1132051554.db2.gz WFJDQINRHGFJPL-OTGCGEFBSA-N 1 1 337.467 3.729 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCC(CC#N)CC1)[C@@H]2CC ZINC001173333830 1132051665 /nfs/dbraw/zinc/05/16/65/1132051665.db2.gz ROZCCPKUTKWSOP-BRAJZSMUSA-N 1 1 343.515 3.880 20 30 EHEDMO C[C@H]1C[N@H+](C2CCC(CC#N)CC2)CCCN1C(=O)OC(C)(C)C ZINC001173337065 1132053386 /nfs/dbraw/zinc/05/33/86/1132053386.db2.gz XUSVBDWNALSOGA-GTPINHCMSA-N 1 1 335.492 3.790 20 30 EHEDMO COC(=O)CCCC[C@@H](C)[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001173460163 1132083546 /nfs/dbraw/zinc/08/35/46/1132083546.db2.gz RFDXWLYFCZIHHN-APWZRJJASA-N 1 1 344.455 3.523 20 30 EHEDMO CC1(C#N)CCC(N[C@@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC001173589407 1132096698 /nfs/dbraw/zinc/09/66/98/1132096698.db2.gz XTZPBIVBLLNJQA-PCKAHOCUSA-N 1 1 336.277 3.511 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C2CCC(C)(C#N)CC2)C1 ZINC001173593656 1132098218 /nfs/dbraw/zinc/09/82/18/1132098218.db2.gz LQNMAQHUCHBGKQ-RPTYLJJZSA-N 1 1 347.503 3.790 20 30 EHEDMO C#Cc1cccc(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000766325096 1132202570 /nfs/dbraw/zinc/20/25/70/1132202570.db2.gz AOPWOSQMEHHEIV-QZTJIDSGSA-N 1 1 347.462 3.795 20 30 EHEDMO N#Cc1cc(Nc2ccc(C[NH+]3CCOCC3)cc2)ccc1Cl ZINC001174403277 1132338670 /nfs/dbraw/zinc/33/86/70/1132338670.db2.gz JASRABYNANYTHX-UHFFFAOYSA-N 1 1 327.815 3.787 20 30 EHEDMO N#Cc1ccc(Cl)c(Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001174445480 1132362063 /nfs/dbraw/zinc/36/20/63/1132362063.db2.gz HMSIRIWUWGMVAS-UHFFFAOYSA-N 1 1 327.815 3.787 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000121347354 1132757006 /nfs/dbraw/zinc/75/70/06/1132757006.db2.gz MITDKFRFESWZCH-QGZVFWFLSA-N 1 1 346.434 3.795 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000121347354 1132757011 /nfs/dbraw/zinc/75/70/11/1132757011.db2.gz MITDKFRFESWZCH-QGZVFWFLSA-N 1 1 346.434 3.795 20 30 EHEDMO C[N@H+]1CCc2c(C#N)c(Nc3cnn(-c4ccccc4)c3)sc2C1 ZINC001175791705 1132768289 /nfs/dbraw/zinc/76/82/89/1132768289.db2.gz WRHCQKVPHRXJMQ-UHFFFAOYSA-N 1 1 335.436 3.537 20 30 EHEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc(/C=C/[N+](=O)[O-])cc3)sc2C1 ZINC001175899455 1132792738 /nfs/dbraw/zinc/79/27/38/1132792738.db2.gz VXANFGKITINTOB-RMKNXTFCSA-N 1 1 340.408 3.599 20 30 EHEDMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC001175905952 1132795114 /nfs/dbraw/zinc/79/51/14/1132795114.db2.gz FVLMBWUWTHWAIF-NRFANRHFSA-N 1 1 337.442 3.966 20 30 EHEDMO CC1(C)CC[C@@H](C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)OC1 ZINC001169812092 1132865559 /nfs/dbraw/zinc/86/55/59/1132865559.db2.gz QHMCUMHCFVZIDG-INIZCTEOSA-N 1 1 347.890 3.539 20 30 EHEDMO C#CC[N@@H+](Cc1cc(-c2cnn(C)c2)no1)[C@H]1CCCc2ccccc21 ZINC001176453395 1132938306 /nfs/dbraw/zinc/93/83/06/1132938306.db2.gz TUBPMYDOJATHEN-NRFANRHFSA-N 1 1 346.434 3.588 20 30 EHEDMO C#CC[N@H+](Cc1cc(-c2cnn(C)c2)no1)[C@H]1CCCc2ccccc21 ZINC001176453395 1132938312 /nfs/dbraw/zinc/93/83/12/1132938312.db2.gz TUBPMYDOJATHEN-NRFANRHFSA-N 1 1 346.434 3.588 20 30 EHEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000767120940 1132952109 /nfs/dbraw/zinc/95/21/09/1132952109.db2.gz XUELEIJSQNPBQL-GJZGRUSLSA-N 1 1 325.884 3.575 20 30 EHEDMO C=C(C)[C@H](CO)[N@@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000767120940 1132952115 /nfs/dbraw/zinc/95/21/15/1132952115.db2.gz XUELEIJSQNPBQL-GJZGRUSLSA-N 1 1 325.884 3.575 20 30 EHEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000767120944 1132952684 /nfs/dbraw/zinc/95/26/84/1132952684.db2.gz XUELEIJSQNPBQL-HUUCEWRRSA-N 1 1 325.884 3.575 20 30 EHEDMO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000767120944 1132952690 /nfs/dbraw/zinc/95/26/90/1132952690.db2.gz XUELEIJSQNPBQL-HUUCEWRRSA-N 1 1 325.884 3.575 20 30 EHEDMO C[C@H]1CC(N=Nc2nncc3ccccc32)C[N@@H+](Cc2ccccc2)C1 ZINC000767357621 1132989015 /nfs/dbraw/zinc/98/90/15/1132989015.db2.gz IIJHCRHVYKVPEI-INIZCTEOSA-N 1 1 345.450 3.940 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C2CCCC2)C1 ZINC001176939931 1133012542 /nfs/dbraw/zinc/01/25/42/1133012542.db2.gz OLCIUAPKRLGPMH-OALUTQOASA-N 1 1 326.440 3.675 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C2CCCC2)C1 ZINC001176939931 1133012549 /nfs/dbraw/zinc/01/25/49/1133012549.db2.gz OLCIUAPKRLGPMH-OALUTQOASA-N 1 1 326.440 3.675 20 30 EHEDMO N#CC1(C[C@H](O)C[N@H+]2CCCCC23CCCCCC3)CCOCC1 ZINC001176960164 1133016853 /nfs/dbraw/zinc/01/68/53/1133016853.db2.gz VHHGBDVEZXLUML-SFHVURJKSA-N 1 1 334.504 3.637 20 30 EHEDMO N#CCOc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000767731559 1133047365 /nfs/dbraw/zinc/04/73/65/1133047365.db2.gz UHXSSHWXAOJZIT-UHFFFAOYSA-N 1 1 329.403 3.750 20 30 EHEDMO C=C(C[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)c1ccccc1 ZINC001177687970 1133093743 /nfs/dbraw/zinc/09/37/43/1133093743.db2.gz KZCYUZHPVFMINE-UHFFFAOYSA-N 1 1 342.805 3.863 20 30 EHEDMO CN(CC[N@@H+](C)Cc1ccccc1C(C)(C)C#N)C(=O)OC(C)(C)C ZINC000768746886 1133177121 /nfs/dbraw/zinc/17/71/21/1133177121.db2.gz ZWVBPFNTQZPWJM-UHFFFAOYSA-N 1 1 345.487 3.786 20 30 EHEDMO CC(C)CC[N@@H+](CCC#N)Cc1cc(Br)ccc1O ZINC000769335975 1133264574 /nfs/dbraw/zinc/26/45/74/1133264574.db2.gz ZEOPPWFTOIUCLK-UHFFFAOYSA-N 1 1 325.250 3.916 20 30 EHEDMO C#CCOc1ccc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)cc1 ZINC000769423764 1133281351 /nfs/dbraw/zinc/28/13/51/1133281351.db2.gz IGISAUGTFBRKLB-JOCHJYFZSA-N 1 1 335.447 3.571 20 30 EHEDMO CC(C)c1[nH+]c(C=C2CCc3[nH]c(=O)ccc3C2=O)c2ccccn21 ZINC000769614622 1133322735 /nfs/dbraw/zinc/32/27/35/1133322735.db2.gz LEPIXKOPJAHSFN-QBFSEMIESA-N 1 1 333.391 3.771 20 30 EHEDMO C#CCOc1cccc(Cl)c1CN1CCC(C[NH+](CC)CC)CC1 ZINC001180124062 1133334509 /nfs/dbraw/zinc/33/45/09/1133334509.db2.gz DLKWNFJATUSHML-UHFFFAOYSA-N 1 1 348.918 3.906 20 30 EHEDMO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)c1 ZINC000770392855 1133422419 /nfs/dbraw/zinc/42/24/19/1133422419.db2.gz WIOAUNYSCMBXSY-NRFANRHFSA-N 1 1 329.403 3.680 20 30 EHEDMO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)c1 ZINC000770392855 1133422422 /nfs/dbraw/zinc/42/24/22/1133422422.db2.gz WIOAUNYSCMBXSY-NRFANRHFSA-N 1 1 329.403 3.680 20 30 EHEDMO C=CCOc1c(Cl)cc(C[N@@H+](C)[C@H](CO)CC(C)C)cc1OC ZINC001181535079 1133498198 /nfs/dbraw/zinc/49/81/98/1133498198.db2.gz OVAFUBSYOFVHPV-HNNXBMFYSA-N 1 1 341.879 3.752 20 30 EHEDMO CC(C)(C#N)CCCO[NH+]=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000771180482 1133521916 /nfs/dbraw/zinc/52/19/16/1133521916.db2.gz MSAXZKMQVAEUQH-UHFFFAOYSA-N 1 1 344.415 3.875 20 30 EHEDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1snc(Cl)c1C#N ZINC000771257743 1133532064 /nfs/dbraw/zinc/53/20/64/1133532064.db2.gz FLRJAIQXPQGLIS-STQMWFEESA-N 1 1 346.887 3.767 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1snc(Cl)c1C#N ZINC000771257743 1133532072 /nfs/dbraw/zinc/53/20/72/1133532072.db2.gz FLRJAIQXPQGLIS-STQMWFEESA-N 1 1 346.887 3.767 20 30 EHEDMO CCCCCCCC[C@@H](O)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000774019709 1133589146 /nfs/dbraw/zinc/58/91/46/1133589146.db2.gz QPYIZGFJBLCMEU-CEXWTWQISA-N 1 1 338.536 3.573 20 30 EHEDMO C[N@H+](Cc1ccccc1)[C@@H](C(=O)N1CCCC[C@@H]1C#N)c1ccccc1 ZINC001182239205 1133605525 /nfs/dbraw/zinc/60/55/25/1133605525.db2.gz CEKYAJCWFYRQFI-NHCUHLMSSA-N 1 1 347.462 3.764 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@@H](C(=O)N1CCCC[C@@H]1C#N)c1ccccc1 ZINC001182239205 1133605530 /nfs/dbraw/zinc/60/55/30/1133605530.db2.gz CEKYAJCWFYRQFI-NHCUHLMSSA-N 1 1 347.462 3.764 20 30 EHEDMO Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccsc2C#N)C1 ZINC001182318505 1133623352 /nfs/dbraw/zinc/62/33/52/1133623352.db2.gz SWETWGTZRBHECV-MRXNPFEDSA-N 1 1 339.464 3.779 20 30 EHEDMO C#CC[N@H+](Cc1ccc(-n2cncn2)c(C)c1)[C@@H]1CCc2ccccc21 ZINC000772600712 1133707895 /nfs/dbraw/zinc/70/78/95/1133707895.db2.gz XMNQKOIRVMUPSE-JOCHJYFZSA-N 1 1 342.446 3.698 20 30 EHEDMO Cc1cc(C#N)cc(C)c1C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001182959795 1133751717 /nfs/dbraw/zinc/75/17/17/1133751717.db2.gz UFYQVAGSWAWRBC-FXAWDEMLSA-N 1 1 347.462 3.568 20 30 EHEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC001184246876 1133915792 /nfs/dbraw/zinc/91/57/92/1133915792.db2.gz RIGGAKWNQUUCFM-CQSZACIVSA-N 1 1 331.243 3.584 20 30 EHEDMO Cc1cc(C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)ccc1C#N ZINC000774856917 1134070140 /nfs/dbraw/zinc/07/01/40/1134070140.db2.gz HNQQCXNNRGEQDH-QGZVFWFLSA-N 1 1 343.471 3.603 20 30 EHEDMO C#CCOc1ccccc1C[NH2+]Cc1nc2ccc(OC)cc2s1 ZINC000788962843 1134196518 /nfs/dbraw/zinc/19/65/18/1134196518.db2.gz JTVOJXGHFUFRBY-UHFFFAOYSA-N 1 1 338.432 3.607 20 30 EHEDMO C[C@H]1CN(c2nc(C(C)(C)C)ccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC001186695698 1134244659 /nfs/dbraw/zinc/24/46/59/1134244659.db2.gz HEAXBEWRBRLACB-KRWDZBQOSA-N 1 1 348.494 3.961 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CCOC)[C@H](C)c2ccc(C(C)C)cc2)n1 ZINC000789324049 1134257071 /nfs/dbraw/zinc/25/70/71/1134257071.db2.gz GKYODGRZBIBXSE-GOSISDBHSA-N 1 1 339.483 3.849 20 30 EHEDMO C#CCn1ccc(C[N@H+](CCOC)[C@H](C)c2ccc(C(C)C)cc2)n1 ZINC000789324049 1134257077 /nfs/dbraw/zinc/25/70/77/1134257077.db2.gz GKYODGRZBIBXSE-GOSISDBHSA-N 1 1 339.483 3.849 20 30 EHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(Cl)c(C#N)n1 ZINC001187327000 1134322668 /nfs/dbraw/zinc/32/26/68/1134322668.db2.gz WNYCMOAJTYGNSW-KSSFIOAISA-N 1 1 340.858 3.929 20 30 EHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccc(Cl)c(C#N)n1 ZINC001187327001 1134322887 /nfs/dbraw/zinc/32/28/87/1134322887.db2.gz WNYCMOAJTYGNSW-RDTXWAMCSA-N 1 1 340.858 3.929 20 30 EHEDMO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000791052722 1134503092 /nfs/dbraw/zinc/50/30/92/1134503092.db2.gz AVOJDVKZEYJDJK-LJQANCHMSA-N 1 1 340.858 3.880 20 30 EHEDMO COCC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)[C@H]1CC[C@H](C)C1 ZINC000792193103 1134666399 /nfs/dbraw/zinc/66/63/99/1134666399.db2.gz QQUMYGICSXSDOC-PXNSSMCTSA-N 1 1 329.488 3.673 20 30 EHEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)CCC1 ZINC001190540586 1134715759 /nfs/dbraw/zinc/71/57/59/1134715759.db2.gz JAIJIRKVWFFTQM-SJORKVTESA-N 1 1 332.875 3.792 20 30 EHEDMO CCOC(=O)[C@@H](CC(C)C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170359451 1134755993 /nfs/dbraw/zinc/75/59/93/1134755993.db2.gz YNWRVZOKJGPGIF-OBXNSHGQSA-N 1 1 342.483 3.958 20 30 EHEDMO Cc1noc([C@@H]2CCC[N@H+]2C2CCC(C#N)(c3ccccc3)CC2)n1 ZINC001170395724 1134764101 /nfs/dbraw/zinc/76/41/01/1134764101.db2.gz NMAOFUDIDXJAKU-FDYSRKEFSA-N 1 1 336.439 3.919 20 30 EHEDMO N#CC1(c2ccccc2)CCC([N@H+]2Cc3ccccc3C[C@@H]2CN)CC1 ZINC001170376160 1134766239 /nfs/dbraw/zinc/76/62/39/1134766239.db2.gz KLONFYSWTZWUSW-OOMBGRCJSA-N 1 1 345.490 3.776 20 30 EHEDMO N#CC1(c2ccccc2)CCC([N@@H+]2Cc3ccccc3C[C@@H]2CN)CC1 ZINC001170376160 1134766244 /nfs/dbraw/zinc/76/62/44/1134766244.db2.gz KLONFYSWTZWUSW-OOMBGRCJSA-N 1 1 345.490 3.776 20 30 EHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@@](O)(CF)CC2)CC1 ZINC001170379370 1134767092 /nfs/dbraw/zinc/76/70/92/1134767092.db2.gz VVTGFKOJSRJODG-MHJFOBGBSA-N 1 1 330.447 3.577 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001191030259 1134780580 /nfs/dbraw/zinc/78/05/80/1134780580.db2.gz NDYVKZNXNARPMM-OWCLPIDISA-N 1 1 343.471 3.949 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001191030259 1134780586 /nfs/dbraw/zinc/78/05/86/1134780586.db2.gz NDYVKZNXNARPMM-OWCLPIDISA-N 1 1 343.471 3.949 20 30 EHEDMO CCCCCCCNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001191112916 1134795043 /nfs/dbraw/zinc/79/50/43/1134795043.db2.gz OQBNIWDVMUYHRA-LJQANCHMSA-N 1 1 331.504 3.778 20 30 EHEDMO COC(=O)c1cc(N[NH+]=C(C)c2ccc(N)cc2Cl)ccc1C ZINC000793098662 1134854195 /nfs/dbraw/zinc/85/41/95/1134854195.db2.gz VADQMLITNOJJOP-UHFFFAOYSA-N 1 1 331.803 3.853 20 30 EHEDMO COC(=O)[C@@H]1CCCC[C@H]1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC001192489612 1135029111 /nfs/dbraw/zinc/02/91/11/1135029111.db2.gz GYYUTOASOAEZIH-PKOBYXMFSA-N 1 1 326.440 3.502 20 30 EHEDMO CC[C@@H]1CN(CCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC001193209359 1135114354 /nfs/dbraw/zinc/11/43/54/1135114354.db2.gz FYPOXBVXXKGIGC-JOCHJYFZSA-N 1 1 333.479 3.697 20 30 EHEDMO CC[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC001193209359 1135114358 /nfs/dbraw/zinc/11/43/58/1135114358.db2.gz FYPOXBVXXKGIGC-JOCHJYFZSA-N 1 1 333.479 3.697 20 30 EHEDMO CC[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC001193209359 1135114360 /nfs/dbraw/zinc/11/43/60/1135114360.db2.gz FYPOXBVXXKGIGC-JOCHJYFZSA-N 1 1 333.479 3.697 20 30 EHEDMO C[C@H]1CN(C(=O)CC2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001129703143 1135139278 /nfs/dbraw/zinc/13/92/78/1135139278.db2.gz BHSFIDBNBQQXDT-SFHVURJKSA-N 1 1 339.483 3.583 20 30 EHEDMO C[C@H]1CN(C(=O)CC2(C#N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001129703143 1135139281 /nfs/dbraw/zinc/13/92/81/1135139281.db2.gz BHSFIDBNBQQXDT-SFHVURJKSA-N 1 1 339.483 3.583 20 30 EHEDMO C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001129786479 1135161994 /nfs/dbraw/zinc/16/19/94/1135161994.db2.gz WESTUUXWCINBFR-VXKWHMMOSA-N 1 1 348.490 3.812 20 30 EHEDMO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001194123007 1135229201 /nfs/dbraw/zinc/22/92/01/1135229201.db2.gz DPNNQADUCLRRIO-SFHVURJKSA-N 1 1 348.874 3.681 20 30 EHEDMO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001194123007 1135229205 /nfs/dbraw/zinc/22/92/05/1135229205.db2.gz DPNNQADUCLRRIO-SFHVURJKSA-N 1 1 348.874 3.681 20 30 EHEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC001195259691 1135401275 /nfs/dbraw/zinc/40/12/75/1135401275.db2.gz YYTDTJBJBOURBW-SFHVURJKSA-N 1 1 342.389 3.922 20 30 EHEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC001195322817 1135405635 /nfs/dbraw/zinc/40/56/35/1135405635.db2.gz GWHHJLFOICEGAN-UHFFFAOYSA-N 1 1 327.771 3.899 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@H+](Cc1ccc(C)cc1C)CC(C)C ZINC001195413354 1135421015 /nfs/dbraw/zinc/42/10/15/1135421015.db2.gz PDOJSHYSZZNOOI-UHFFFAOYSA-N 1 1 329.488 3.524 20 30 EHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001195893827 1135481895 /nfs/dbraw/zinc/48/18/95/1135481895.db2.gz QHQWJYCWPFLWND-RTBURBONSA-N 1 1 326.440 3.675 20 30 EHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001195893827 1135481896 /nfs/dbraw/zinc/48/18/96/1135481896.db2.gz QHQWJYCWPFLWND-RTBURBONSA-N 1 1 326.440 3.675 20 30 EHEDMO CC[C@@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC001195985914 1135497110 /nfs/dbraw/zinc/49/71/10/1135497110.db2.gz LNGYORXKIANNJC-QFIPXVFZSA-N 1 1 347.462 3.984 20 30 EHEDMO Fc1ccc(C#CC[NH+]2CCC(Oc3cccc(F)c3)CC2)cc1 ZINC001196368049 1135551219 /nfs/dbraw/zinc/55/12/19/1135551219.db2.gz VKZWNBXKFTULIF-UHFFFAOYSA-N 1 1 327.374 3.860 20 30 EHEDMO C#CCOCC[N@@H+]1CCC[C@@]1(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001197068873 1135646761 /nfs/dbraw/zinc/64/67/61/1135646761.db2.gz DUUAYWULMIEXPM-KRWDZBQOSA-N 1 1 343.364 3.891 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](C3CC3)C2)cc1C ZINC000808776271 1135735016 /nfs/dbraw/zinc/73/50/16/1135735016.db2.gz FIHPAGOXXPFEFD-IBGZPJMESA-N 1 1 339.483 3.672 20 30 EHEDMO C=CCCCC[N@@H+]1CCn2c(Cc3ccccc3Cl)nnc2C1 ZINC001197882856 1135746627 /nfs/dbraw/zinc/74/66/27/1135746627.db2.gz ZTILOPQKDKZPHE-UHFFFAOYSA-N 1 1 330.863 3.694 20 30 EHEDMO C=CCCCC[N@H+]1CCn2c(Cc3ccccc3Cl)nnc2C1 ZINC001197882856 1135746628 /nfs/dbraw/zinc/74/66/28/1135746628.db2.gz ZTILOPQKDKZPHE-UHFFFAOYSA-N 1 1 330.863 3.694 20 30 EHEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@H](Cc3nccs3)C2)c1 ZINC001197920623 1135750527 /nfs/dbraw/zinc/75/05/27/1135750527.db2.gz FLYLSKFNDMZYHQ-QGZVFWFLSA-N 1 1 341.480 3.738 20 30 EHEDMO CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000747532276 1135751571 /nfs/dbraw/zinc/75/15/71/1135751571.db2.gz VWAIUDDESAHNAF-MAUKXSAKSA-N 1 1 327.472 3.671 20 30 EHEDMO C#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)cc1 ZINC000809582401 1135853835 /nfs/dbraw/zinc/85/38/35/1135853835.db2.gz XNUNAKSYGBABIL-MOPGFXCFSA-N 1 1 342.483 3.793 20 30 EHEDMO CN(C)c1ccc(C#N)cc1CNC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001198968854 1135869904 /nfs/dbraw/zinc/86/99/04/1135869904.db2.gz JOUQELCCKOWETO-JOCHJYFZSA-N 1 1 348.494 3.551 20 30 EHEDMO C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H](C#N)C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810246264 1135947947 /nfs/dbraw/zinc/94/79/47/1135947947.db2.gz LVBOYHYBWYDNIJ-YKTARERQSA-N 1 1 335.492 3.551 20 30 EHEDMO C=C(C)COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)ccc1OC ZINC000105456855 1135948052 /nfs/dbraw/zinc/94/80/52/1135948052.db2.gz GFNMBIZKBBSGLZ-IBGZPJMESA-N 1 1 346.515 3.860 20 30 EHEDMO C=C(C)COc1cc(CNC[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1OC ZINC000105456855 1135948054 /nfs/dbraw/zinc/94/80/54/1135948054.db2.gz GFNMBIZKBBSGLZ-IBGZPJMESA-N 1 1 346.515 3.860 20 30 EHEDMO C=C(C)COc1cc(CNC[C@@H]2CCC[N@H+](C(C)C)C2)ccc1OC ZINC000105456855 1135948056 /nfs/dbraw/zinc/94/80/56/1135948056.db2.gz GFNMBIZKBBSGLZ-IBGZPJMESA-N 1 1 346.515 3.860 20 30 EHEDMO CCCCCCC[N@H+]1C[C@H](NC(=O)c2c[nH]c(=O)cc2C)CC[C@@H]1C ZINC001132300604 1135966453 /nfs/dbraw/zinc/96/64/53/1135966453.db2.gz NMANJKGNBKTPGT-DLBZAZTESA-N 1 1 347.503 3.649 20 30 EHEDMO CC(C)(C)C[N@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001201436491 1136024667 /nfs/dbraw/zinc/02/46/67/1136024667.db2.gz YPJXDMXPZLKQEM-NRFANRHFSA-N 1 1 341.499 3.523 20 30 EHEDMO C=CCN1CC[C@@]2(C[N@@H+](C[C@@H](C)CCC)C[C@@H]2c2ccccc2)C1=O ZINC001201544191 1136035160 /nfs/dbraw/zinc/03/51/60/1136035160.db2.gz WBLPMPJHYKYIMV-DWLFOUALSA-N 1 1 340.511 3.927 20 30 EHEDMO CCCCCCCN1CC[N@H+]2C[C@H](OCc3cccc(C)n3)C[C@H]2C1 ZINC001201762659 1136060602 /nfs/dbraw/zinc/06/06/02/1136060602.db2.gz QPTLTVVRPWUJDX-LEWJYISDSA-N 1 1 345.531 3.636 20 30 EHEDMO CCCCCCC[N@@H+]1CCN2C[C@H](OCc3cccc(C)n3)C[C@H]2C1 ZINC001201762659 1136060606 /nfs/dbraw/zinc/06/06/06/1136060606.db2.gz QPTLTVVRPWUJDX-LEWJYISDSA-N 1 1 345.531 3.636 20 30 EHEDMO CCCCCCC[N@H+]1CCN2C[C@H](OCc3cccc(C)n3)C[C@H]2C1 ZINC001201762659 1136060610 /nfs/dbraw/zinc/06/06/10/1136060610.db2.gz QPTLTVVRPWUJDX-LEWJYISDSA-N 1 1 345.531 3.636 20 30 EHEDMO CCCCCCC[N@H+]1CCO[C@]2(CCCN(c3cccnc3)C2)C1 ZINC001201762369 1136060620 /nfs/dbraw/zinc/06/06/20/1136060620.db2.gz HSQJTGYHAPLKRR-HXUWFJFHSA-N 1 1 331.504 3.723 20 30 EHEDMO CCCCCCCC[N@H+]1CC[C@]2(C1)C(=O)NC[C@H]2c1ccccc1 ZINC001201814330 1136064943 /nfs/dbraw/zinc/06/49/43/1136064943.db2.gz NUESMGYJQNCEDW-PZJWPPBQSA-N 1 1 328.500 3.953 20 30 EHEDMO CCCCCCCCC[N@H+]1CC[C@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001201839353 1136069695 /nfs/dbraw/zinc/06/96/95/1136069695.db2.gz MENVSVSZHCBTJK-FQEVSTJZSA-N 1 1 346.519 3.600 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1c(Cl)cccc1Cl ZINC001202111033 1136100611 /nfs/dbraw/zinc/10/06/11/1136100611.db2.gz DHDKYWSCAHGEGH-NSHDSACASA-N 1 1 328.243 3.765 20 30 EHEDMO C[C@H]1C(N=Nc2nncc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000811631128 1136111408 /nfs/dbraw/zinc/11/14/08/1136111408.db2.gz LTAXQIAMPLCCCF-HNNXBMFYSA-N 1 1 331.423 3.692 20 30 EHEDMO C=CCc1cc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(O)c(OC)c1 ZINC000811776535 1136134263 /nfs/dbraw/zinc/13/42/63/1136134263.db2.gz DMZXNMDYQMAOAA-QFBILLFUSA-N 1 1 331.456 3.519 20 30 EHEDMO C#CCC(C)(C)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001133216615 1136185641 /nfs/dbraw/zinc/18/56/41/1136185641.db2.gz YLPRZZQQRDEBRN-UHFFFAOYSA-N 1 1 340.511 3.987 20 30 EHEDMO Cc1[nH+]ccn1-c1ncccc1NCc1ccc(C2(C#N)CC2)cc1 ZINC000850227389 1136223651 /nfs/dbraw/zinc/22/36/51/1136223651.db2.gz YXEDINUUQBDQTR-UHFFFAOYSA-N 1 1 329.407 3.743 20 30 EHEDMO C=CCN(C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000812606152 1136226804 /nfs/dbraw/zinc/22/68/04/1136226804.db2.gz HVLUNGJFFWKYPB-HXUWFJFHSA-N 1 1 343.515 3.895 20 30 EHEDMO C#CCOc1cccc(Cl)c1C[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000850373000 1136244215 /nfs/dbraw/zinc/24/42/15/1136244215.db2.gz CDSRWNZTVKCUOB-ROUUACIJSA-N 1 1 327.811 3.620 20 30 EHEDMO C#C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(F)cc1 ZINC000812795403 1136251704 /nfs/dbraw/zinc/25/17/04/1136251704.db2.gz VVBHHYSKELNJKG-INIZCTEOSA-N 1 1 331.774 3.714 20 30 EHEDMO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C(C1CC1)C1CC1 ZINC000747824798 1136267061 /nfs/dbraw/zinc/26/70/61/1136267061.db2.gz SJAOFOFYPUJRAO-CQSZACIVSA-N 1 1 339.464 3.593 20 30 EHEDMO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C(C1CC1)C1CC1 ZINC000747824798 1136267065 /nfs/dbraw/zinc/26/70/65/1136267065.db2.gz SJAOFOFYPUJRAO-CQSZACIVSA-N 1 1 339.464 3.593 20 30 EHEDMO CC(C)(C)C[N@@H+](CCC#N)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000109813966 1136347293 /nfs/dbraw/zinc/34/72/93/1136347293.db2.gz JWIBYLRHPVWHFA-UHFFFAOYSA-N 1 1 337.508 3.895 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000852686425 1136478101 /nfs/dbraw/zinc/47/81/01/1136478101.db2.gz UWMKCSQYNGAFLW-BGYRXZFFSA-N 1 1 339.483 3.798 20 30 EHEDMO Cc1cc([N+](=O)[O-])ccc1N=NC(C)c1cccc(C[NH+](C)C)c1 ZINC000814931156 1136526406 /nfs/dbraw/zinc/52/64/06/1136526406.db2.gz KYANQEWQTYXKIY-UHFFFAOYSA-N 1 1 326.400 3.801 20 30 EHEDMO N#Cc1ccc(-c2ccn(C[NH+]3CCC(c4ccco4)CC3)n2)cc1 ZINC000853527132 1136541558 /nfs/dbraw/zinc/54/15/58/1136541558.db2.gz LZOGKLWUDYDPSI-UHFFFAOYSA-N 1 1 332.407 3.852 20 30 EHEDMO C#CCOc1ccccc1C[NH2+]Cc1conc1Cc1ccccc1 ZINC000815126627 1136554151 /nfs/dbraw/zinc/55/41/51/1136554151.db2.gz PADVROJNLKYJPJ-UHFFFAOYSA-N 1 1 332.403 3.567 20 30 EHEDMO C#CC[N@@H+](C)CCCN[C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000815652426 1136626649 /nfs/dbraw/zinc/62/66/49/1136626649.db2.gz BXLACXIUSDTGBP-MRXNPFEDSA-N 1 1 341.524 3.648 20 30 EHEDMO C#CC[N@H+](C)CCCN[C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000815652426 1136626653 /nfs/dbraw/zinc/62/66/53/1136626653.db2.gz BXLACXIUSDTGBP-MRXNPFEDSA-N 1 1 341.524 3.648 20 30 EHEDMO CCCCCCCCCC(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000854569578 1136629252 /nfs/dbraw/zinc/62/92/52/1136629252.db2.gz WYRANUNPEAIJOS-SFHVURJKSA-N 1 1 338.536 3.839 20 30 EHEDMO C=CCn1c2ccccc2n(C[N@H+]2CCC[C@H](COC)C2)c1=S ZINC000112960282 1136662611 /nfs/dbraw/zinc/66/26/11/1136662611.db2.gz KUKPSHDVSBMRNX-HNNXBMFYSA-N 1 1 331.485 3.674 20 30 EHEDMO C=CCn1c2ccccc2n(C[N@@H+]2CCC[C@H](COC)C2)c1=S ZINC000112960282 1136662615 /nfs/dbraw/zinc/66/26/15/1136662615.db2.gz KUKPSHDVSBMRNX-HNNXBMFYSA-N 1 1 331.485 3.674 20 30 EHEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H]2Cc2ccc(C)cc2)c1=S ZINC000113246192 1136688433 /nfs/dbraw/zinc/68/84/33/1136688433.db2.gz RSYNWHBYNGAGMU-SFHVURJKSA-N 1 1 342.512 3.882 20 30 EHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@H]2Cc2ccc(C)cc2)c1=S ZINC000113246192 1136688437 /nfs/dbraw/zinc/68/84/37/1136688437.db2.gz RSYNWHBYNGAGMU-SFHVURJKSA-N 1 1 342.512 3.882 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)CCCCCC#N ZINC000816453883 1136717261 /nfs/dbraw/zinc/71/72/61/1136717261.db2.gz WHJJNWWDRBYPJX-IEBWSBKVSA-N 1 1 328.456 3.914 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000816457319 1136718651 /nfs/dbraw/zinc/71/86/51/1136718651.db2.gz YGCLOFALTCXWQJ-UTKZUKDTSA-N 1 1 348.446 3.934 20 30 EHEDMO C=CCCO[C@H](C)C(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000816468878 1136720287 /nfs/dbraw/zinc/72/02/87/1136720287.db2.gz OUZYAVRSKKJKKS-ZHALLVOQSA-N 1 1 331.456 3.564 20 30 EHEDMO C=CCC(F)(F)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000856169358 1136760836 /nfs/dbraw/zinc/76/08/36/1136760836.db2.gz LWAVQPCNQFHHLN-KRWDZBQOSA-N 1 1 348.437 3.616 20 30 EHEDMO C=CC[C@@H]1CCCN(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857308534 1136861872 /nfs/dbraw/zinc/86/18/72/1136861872.db2.gz AXKVFSHWSMYWQL-XLIONFOSSA-N 1 1 326.484 3.924 20 30 EHEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(-c2ccc(F)cc2)c(C)s1 ZINC000818589135 1136885596 /nfs/dbraw/zinc/88/55/96/1136885596.db2.gz RWKBGUYPBFMJMN-UHFFFAOYSA-N 1 1 344.455 3.548 20 30 EHEDMO Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1C#N ZINC000859107370 1137003385 /nfs/dbraw/zinc/00/33/85/1137003385.db2.gz HLPCWHQHPOYNEE-QGZVFWFLSA-N 1 1 343.471 3.603 20 30 EHEDMO CCN(CC)C(=O)[C@H]([NH2+]Cc1ccc(C)c(C#N)c1)c1ccccc1 ZINC000859173949 1137006598 /nfs/dbraw/zinc/00/65/98/1137006598.db2.gz KRCRVPXRPYUUBY-HXUWFJFHSA-N 1 1 335.451 3.566 20 30 EHEDMO COc1ccc([C@H]2CC[N@H+](Cc3ccc(F)cc3C#N)C2)cc1F ZINC000860102601 1137044419 /nfs/dbraw/zinc/04/44/19/1137044419.db2.gz FWUIQMYZLFNXIB-HNNXBMFYSA-N 1 1 328.362 3.835 20 30 EHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)C2)cc1F ZINC000860102601 1137044421 /nfs/dbraw/zinc/04/44/21/1137044421.db2.gz FWUIQMYZLFNXIB-HNNXBMFYSA-N 1 1 328.362 3.835 20 30 EHEDMO C#C[C@H]([NH2+]Cc1ccc2c(c1)OCCCCO2)c1ccc(F)cc1 ZINC000824423619 1137137171 /nfs/dbraw/zinc/13/71/71/1137137171.db2.gz RLZMHWZYTCWJEX-SFHVURJKSA-N 1 1 325.383 3.841 20 30 EHEDMO C=CCCn1cc(C[N@H+]2CCC[C@H]2COc2ccc(Cl)cc2)nn1 ZINC000824594065 1137144177 /nfs/dbraw/zinc/14/41/77/1137144177.db2.gz XJYTVPBIBNGZEH-KRWDZBQOSA-N 1 1 346.862 3.551 20 30 EHEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H]2COc2ccc(Cl)cc2)nn1 ZINC000824594065 1137144178 /nfs/dbraw/zinc/14/41/78/1137144178.db2.gz XJYTVPBIBNGZEH-KRWDZBQOSA-N 1 1 346.862 3.551 20 30 EHEDMO C#CC[C@H]1CC[N@@H+](Cc2csc(COc3ccc(C)cc3)n2)C1 ZINC000862445156 1137145311 /nfs/dbraw/zinc/14/53/11/1137145311.db2.gz NHJMPFGNTRZXHJ-INIZCTEOSA-N 1 1 326.465 3.876 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2csc(COc3ccc(C)cc3)n2)C1 ZINC000862445156 1137145312 /nfs/dbraw/zinc/14/53/12/1137145312.db2.gz NHJMPFGNTRZXHJ-INIZCTEOSA-N 1 1 326.465 3.876 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000862446817 1137145434 /nfs/dbraw/zinc/14/54/34/1137145434.db2.gz FSOZYEFEVJAASI-ZDUSSCGKSA-N 1 1 329.241 3.843 20 30 EHEDMO N#CCc1cccc2c1CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C2 ZINC000862544659 1137149521 /nfs/dbraw/zinc/14/95/21/1137149521.db2.gz RPJVVCMWIUODHR-UHFFFAOYSA-N 1 1 330.790 3.809 20 30 EHEDMO CN(C)c1ccc(/C=C/C[N@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000862543454 1137149578 /nfs/dbraw/zinc/14/95/78/1137149578.db2.gz IAISWYALAXNYQA-SNAWJCMRSA-N 1 1 331.463 3.890 20 30 EHEDMO CN(C)c1ccc(/C=C\C[N@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000862543453 1137149705 /nfs/dbraw/zinc/14/97/05/1137149705.db2.gz IAISWYALAXNYQA-PLNGDYQASA-N 1 1 331.463 3.890 20 30 EHEDMO C=CCC[C@@H](C(=O)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1)c1ccccc1 ZINC001144023775 1137229880 /nfs/dbraw/zinc/22/98/80/1137229880.db2.gz BUQCEMSJEKREIV-RTBURBONSA-N 1 1 328.500 3.925 20 30 EHEDMO C=CCC(C)(C)C(=O)N(C)[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001144069076 1137234515 /nfs/dbraw/zinc/23/45/15/1137234515.db2.gz FFIGDOKIXLEAPO-HKUYNNGSSA-N 1 1 328.500 3.958 20 30 EHEDMO C#Cc1cccc(NC(=S)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000844593128 1137238291 /nfs/dbraw/zinc/23/82/91/1137238291.db2.gz CZJUUWLSEHJMIE-OAQYLSRUSA-N 1 1 349.503 3.619 20 30 EHEDMO C=C1CC(C)(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)C1 ZINC001144098133 1137238654 /nfs/dbraw/zinc/23/86/54/1137238654.db2.gz JNAHANLSAHGIFU-UHFFFAOYSA-N 1 1 338.455 3.844 20 30 EHEDMO CCCCCCC[N@@H+](C)Cc1ccc(OC(C)=O)c(OC(C)=O)c1 ZINC001144280872 1137265709 /nfs/dbraw/zinc/26/57/09/1137265709.db2.gz VSELHMNVBOGMGJ-UHFFFAOYSA-N 1 1 335.444 3.939 20 30 EHEDMO CCOc1cccc(/C=N/C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000794835410 1137276030 /nfs/dbraw/zinc/27/60/30/1137276030.db2.gz WZVGMAXHZMHIHK-SDLXJUDFSA-N 1 1 338.451 3.732 20 30 EHEDMO CCC(CC)CN(CCC#N)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001144519638 1137302771 /nfs/dbraw/zinc/30/27/71/1137302771.db2.gz GXOKKXPDOGVVJZ-FQEVSTJZSA-N 1 1 341.499 3.687 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001144568386 1137311218 /nfs/dbraw/zinc/31/12/18/1137311218.db2.gz SYKFDYLXDJTAKV-NRFANRHFSA-N 1 1 340.467 3.643 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001144568568 1137311528 /nfs/dbraw/zinc/31/15/28/1137311528.db2.gz YLHPNUSBCZBSJA-SFHVURJKSA-N 1 1 328.456 3.547 20 30 EHEDMO C#Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)cc1 ZINC001144571544 1137311598 /nfs/dbraw/zinc/31/15/98/1137311598.db2.gz BDTZUWTVZHFLJJ-IRLDBZIGSA-N 1 1 332.447 3.744 20 30 EHEDMO C#Cc1ccc(C[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)cc1 ZINC000865803418 1137312703 /nfs/dbraw/zinc/31/27/03/1137312703.db2.gz ARARALGESPVLHS-UHFFFAOYSA-N 1 1 333.357 3.509 20 30 EHEDMO CCCC[N@H+](CCC#N)Cc1c[nH]c2cc(Br)cnc12 ZINC001144700251 1137331631 /nfs/dbraw/zinc/33/16/31/1137331631.db2.gz CJJJRAYEDTWTGA-UHFFFAOYSA-N 1 1 335.249 3.841 20 30 EHEDMO CCCC[N@@H+](CCC#N)Cc1c[nH]c2cc(Br)cnc12 ZINC001144700251 1137331632 /nfs/dbraw/zinc/33/16/32/1137331632.db2.gz CJJJRAYEDTWTGA-UHFFFAOYSA-N 1 1 335.249 3.841 20 30 EHEDMO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3[C@@H](C)Cc2cccc(C#N)c2)o1 ZINC001171212222 1137334029 /nfs/dbraw/zinc/33/40/29/1137334029.db2.gz KLCKKXFTMHABTP-WQTXXOFMSA-N 1 1 349.478 3.740 20 30 EHEDMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3[C@@H](C)Cc2cccc(C#N)c2)o1 ZINC001171212222 1137334030 /nfs/dbraw/zinc/33/40/30/1137334030.db2.gz KLCKKXFTMHABTP-WQTXXOFMSA-N 1 1 349.478 3.740 20 30 EHEDMO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3[C@@H](C)Cc2cccc(C#N)c2)o1 ZINC001171212222 1137334033 /nfs/dbraw/zinc/33/40/33/1137334033.db2.gz KLCKKXFTMHABTP-WQTXXOFMSA-N 1 1 349.478 3.740 20 30 EHEDMO C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1[O-] ZINC000866212384 1137335624 /nfs/dbraw/zinc/33/56/24/1137335624.db2.gz FNOIWZBJXOQLSY-MRXNPFEDSA-N 1 1 335.451 3.579 20 30 EHEDMO C[C@H]([NH2+][C@@H]1CCCOc2ccc(F)cc21)c1cccc(C#N)c1O ZINC000866246686 1137338973 /nfs/dbraw/zinc/33/89/73/1137338973.db2.gz MVEXLJJDHGFILC-YVEFUNNKSA-N 1 1 326.371 3.967 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001171224966 1137350571 /nfs/dbraw/zinc/35/05/71/1137350571.db2.gz WCYKMFGPJHFUMI-VGSWGCGISA-N 1 1 345.446 3.904 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000846904197 1137372656 /nfs/dbraw/zinc/37/26/56/1137372656.db2.gz BCUKUOIZCVJCQX-OAHLLOKOSA-N 1 1 327.815 3.627 20 30 EHEDMO CC[C@H](C)Oc1ccc(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)cc1 ZINC000867955036 1137391193 /nfs/dbraw/zinc/39/11/93/1137391193.db2.gz VNZSSIHNYIOJQV-VBKZILBWSA-N 1 1 349.434 3.561 20 30 EHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](c4ccccc4)C3)o2)cc1 ZINC000173586020 1137435300 /nfs/dbraw/zinc/43/53/00/1137435300.db2.gz TUEOCEHLCHNKIK-GOSISDBHSA-N 1 1 330.391 3.598 20 30 EHEDMO C=C(C)[C@@H]([NH2+]Cc1ccnn1CCCOC)c1ccc(F)c(F)c1 ZINC000282712273 1137440448 /nfs/dbraw/zinc/44/04/48/1137440448.db2.gz RAXRNAWJDGCSIV-GOSISDBHSA-N 1 1 335.398 3.605 20 30 EHEDMO C=CCOc1ccccc1[C@H](C)Nc1ccc(-n2cc[nH+]c2C)nn1 ZINC001171372101 1137459795 /nfs/dbraw/zinc/45/97/95/1137459795.db2.gz DUECDRSAOYKIBC-AWEZNQCLSA-N 1 1 335.411 3.709 20 30 EHEDMO CC(C)c1nccnc1N=NC(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000773085130 1137464459 /nfs/dbraw/zinc/46/44/59/1137464459.db2.gz FJNRGPHYLOKZGK-GOSISDBHSA-N 1 1 337.471 3.910 20 30 EHEDMO N#Cc1ccc(CN[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cc1 ZINC000716730950 1137488512 /nfs/dbraw/zinc/48/85/12/1137488512.db2.gz IHSXBMMYEMPDSP-FKBYEOEOSA-N 1 1 331.463 3.701 20 30 EHEDMO N#Cc1ccc(CN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000716730950 1137488514 /nfs/dbraw/zinc/48/85/14/1137488514.db2.gz IHSXBMMYEMPDSP-FKBYEOEOSA-N 1 1 331.463 3.701 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171541886 1137494184 /nfs/dbraw/zinc/49/41/84/1137494184.db2.gz LWJAOVJPMQZLDU-OAHLLOKOSA-N 1 1 330.353 3.965 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@H]3CCCC[C@H]32)cc1 ZINC001171756391 1137508341 /nfs/dbraw/zinc/50/83/41/1137508341.db2.gz IMTQOWZWTFOFIV-YQVWRLOYSA-N 1 1 325.456 3.505 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171893931 1137517251 /nfs/dbraw/zinc/51/72/51/1137517251.db2.gz ACUCBBGHMJVYLS-OAQYLSRUSA-N 1 1 347.462 3.685 20 30 EHEDMO N#CCC[N@@H+](C1CCCC1)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171894930 1137517385 /nfs/dbraw/zinc/51/73/85/1137517385.db2.gz MQSZIPOIYQZORR-FQEVSTJZSA-N 1 1 339.483 3.840 20 30 EHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171904476 1137517912 /nfs/dbraw/zinc/51/79/12/1137517912.db2.gz DXMPPJHDJJMZTM-NRFANRHFSA-N 1 1 347.462 3.685 20 30 EHEDMO C=CC[C@@](C)(N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(=O)OC ZINC001171978026 1137526275 /nfs/dbraw/zinc/52/62/75/1137526275.db2.gz ILBAZTLADUZTCF-GHTZIAJQSA-N 1 1 344.499 3.527 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001172311069 1137546159 /nfs/dbraw/zinc/54/61/59/1137546159.db2.gz OCWCLUXBHKIALZ-UTKZUKDTSA-N 1 1 345.446 3.904 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000872261546 1137576850 /nfs/dbraw/zinc/57/68/50/1137576850.db2.gz HHHDJUFMNFYHHI-VQIMIIECSA-N 1 1 328.456 3.901 20 30 EHEDMO C=C(Br)C[NH2+][C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000125102272 1137620346 /nfs/dbraw/zinc/62/03/46/1137620346.db2.gz XMZDCDJZWBWGCM-GFCCVEGCSA-N 1 1 338.167 3.891 20 30 EHEDMO C[C@@]1(C#N)CC[C@H](OC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000875783236 1137638317 /nfs/dbraw/zinc/63/83/17/1137638317.db2.gz ZIXVPKPFLQDEMF-CMKODMSKSA-N 1 1 326.440 3.524 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)n1 ZINC000876804980 1137661998 /nfs/dbraw/zinc/66/19/98/1137661998.db2.gz WCMYMLCFZBGVOL-MSOLQXFVSA-N 1 1 341.480 3.883 20 30 EHEDMO COC(=O)CC[C@@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000877819978 1137691417 /nfs/dbraw/zinc/69/14/17/1137691417.db2.gz BWXKOGMCTMIQKN-KRWDZBQOSA-N 1 1 344.455 3.534 20 30 EHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC2(CCOCC2)O1 ZINC000878011401 1137699483 /nfs/dbraw/zinc/69/94/83/1137699483.db2.gz ZUIFOGFOBTVDGV-HXUWFJFHSA-N 1 1 342.483 3.744 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCc2c(C)cccc2C1)c1ccccc1 ZINC000878056363 1137700988 /nfs/dbraw/zinc/70/09/88/1137700988.db2.gz RWPFOMFDCBETJR-JOCHJYFZSA-N 1 1 332.447 3.794 20 30 EHEDMO N#CCC1(C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)CC1 ZINC000878187314 1137706365 /nfs/dbraw/zinc/70/63/65/1137706365.db2.gz ZWWPTFOSLQXOPC-QGZVFWFLSA-N 1 1 326.465 3.978 20 30 EHEDMO C[C@@]1(c2ccccc2)CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000880372140 1137776980 /nfs/dbraw/zinc/77/69/80/1137776980.db2.gz TUZDXYBPABAWME-SFHVURJKSA-N 1 1 325.437 3.569 20 30 EHEDMO C[C@@]1(c2ccccc2)CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000880372140 1137776981 /nfs/dbraw/zinc/77/69/81/1137776981.db2.gz TUZDXYBPABAWME-SFHVURJKSA-N 1 1 325.437 3.569 20 30 EHEDMO C#CCC1(O)CC[NH+](Cc2csc(-c3ccc(CC)cc3)n2)CC1 ZINC000880476721 1137779789 /nfs/dbraw/zinc/77/97/89/1137779789.db2.gz DEHPHVNRDXVJML-UHFFFAOYSA-N 1 1 340.492 3.723 20 30 EHEDMO C#CCC1(O)CC[NH+](Cc2cc3cc(Cl)ccc3nc2Cl)CC1 ZINC000880482359 1137779796 /nfs/dbraw/zinc/77/97/96/1137779796.db2.gz GXNVPMIEMZJQIA-UHFFFAOYSA-N 1 1 349.261 3.892 20 30 EHEDMO C#CCC1(O)CC[NH+](Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC000880483648 1137779932 /nfs/dbraw/zinc/77/99/32/1137779932.db2.gz IDAXXXSGFDQJBT-UHFFFAOYSA-N 1 1 346.883 3.814 20 30 EHEDMO CCCC[N@@H+](Cn1c(C)nnc1-c1cccc(C#N)c1)[C@H](C)CC ZINC000131050933 1137845793 /nfs/dbraw/zinc/84/57/93/1137845793.db2.gz JNQHMNYNFXEVBF-OAHLLOKOSA-N 1 1 325.460 3.983 20 30 EHEDMO C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)[C@H]1Cc2ccccc2O1 ZINC000883227411 1137849515 /nfs/dbraw/zinc/84/95/15/1137849515.db2.gz QCQSLNDTPLSUJF-GYDKDSOHSA-N 1 1 326.484 3.540 20 30 EHEDMO C=CCC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1ccco1 ZINC000883290423 1137853006 /nfs/dbraw/zinc/85/30/06/1137853006.db2.gz UOVGYOYOSQYSQJ-HXUWFJFHSA-N 1 1 339.483 3.829 20 30 EHEDMO Cc1ccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)s1 ZINC000102773812 1137874036 /nfs/dbraw/zinc/87/40/36/1137874036.db2.gz PVZIEOZTLDSWPP-UHFFFAOYSA-N 1 1 333.844 3.652 20 30 EHEDMO Cc1ccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)s1 ZINC000102773812 1137874037 /nfs/dbraw/zinc/87/40/37/1137874037.db2.gz PVZIEOZTLDSWPP-UHFFFAOYSA-N 1 1 333.844 3.652 20 30 EHEDMO C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000331744757 1137919092 /nfs/dbraw/zinc/91/90/92/1137919092.db2.gz XDPOMTMOSDRWJJ-KXBFYZLASA-N 1 1 325.456 3.533 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000118393250 1137933610 /nfs/dbraw/zinc/93/36/10/1137933610.db2.gz CBKVCQGHRJNTLP-KRWDZBQOSA-N 1 1 330.435 3.703 20 30 EHEDMO Cc1ccccc1[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000332301361 1137938876 /nfs/dbraw/zinc/93/88/76/1137938876.db2.gz HUTTYOGKPHZRGN-ROUUACIJSA-N 1 1 339.483 3.516 20 30 EHEDMO CCC[N@@H+](Cc1cn(C)nc1-c1cccnc1)Cc1ccc(C#N)cc1 ZINC000119254534 1137939679 /nfs/dbraw/zinc/93/96/79/1137939679.db2.gz RACILVIAAUGVMA-UHFFFAOYSA-N 1 1 345.450 3.766 20 30 EHEDMO N#Cc1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccc1F ZINC000120475701 1137950055 /nfs/dbraw/zinc/95/00/55/1137950055.db2.gz KIFVAKHZAXCJMP-GOSISDBHSA-N 1 1 340.398 3.584 20 30 EHEDMO Clc1cncc(N=NC2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)n1 ZINC000884414321 1137959539 /nfs/dbraw/zinc/95/95/39/1137959539.db2.gz PEYAQPYJAUSEGW-HOCLYGCPSA-N 1 1 341.846 3.582 20 30 EHEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)ccc1F ZINC000134807743 1137960984 /nfs/dbraw/zinc/96/09/84/1137960984.db2.gz YWSDAUXDVWXQGV-UYAOXDASSA-N 1 1 342.389 3.925 20 30 EHEDMO CCOc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)CC2(C#N)CCC2)cc1 ZINC000885933070 1138026060 /nfs/dbraw/zinc/02/60/60/1138026060.db2.gz IHKOAUVTXQIYTR-MJGOQNOKSA-N 1 1 328.456 3.667 20 30 EHEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc(CC#N)cc1 ZINC000058535449 1138063989 /nfs/dbraw/zinc/06/39/89/1138063989.db2.gz IIWPFZJILKJMTG-INIZCTEOSA-N 1 1 328.460 3.529 20 30 EHEDMO N#CC1(C[C@H](O)C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)CCC1 ZINC000886300226 1138065814 /nfs/dbraw/zinc/06/58/14/1138065814.db2.gz CNIAAAHYWJUVHW-INIZCTEOSA-N 1 1 338.373 3.508 20 30 EHEDMO CCCCCCCCC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000886322574 1138067309 /nfs/dbraw/zinc/06/73/09/1138067309.db2.gz JMLRZWOXXIAULM-CALCHBBNSA-N 1 1 326.525 3.741 20 30 EHEDMO CCCCCCCCC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000886322574 1138067312 /nfs/dbraw/zinc/06/73/12/1138067312.db2.gz JMLRZWOXXIAULM-CALCHBBNSA-N 1 1 326.525 3.741 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(OCCCC)cc3)o2)C1 ZINC000886356279 1138070634 /nfs/dbraw/zinc/07/06/34/1138070634.db2.gz XIZTVMACKYKHCJ-MRXNPFEDSA-N 1 1 339.439 3.761 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2csc(-c3ccc(OC)c(OC)c3)n2)C1 ZINC000886356049 1138070702 /nfs/dbraw/zinc/07/07/02/1138070702.db2.gz SLNWCUFHNCFRJX-CQSZACIVSA-N 1 1 342.464 3.673 20 30 EHEDMO N#Cc1ccc(CN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c(F)c1 ZINC000886524802 1138090193 /nfs/dbraw/zinc/09/01/93/1138090193.db2.gz RDGJTSBADOUKFO-JBACZVJFSA-N 1 1 349.453 3.840 20 30 EHEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)cc1 ZINC000075325387 1138126773 /nfs/dbraw/zinc/12/67/73/1138126773.db2.gz YGIMGUCPPPZURZ-FQEVSTJZSA-N 1 1 347.462 3.542 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000076396042 1138131075 /nfs/dbraw/zinc/13/10/75/1138131075.db2.gz RGQFRFQVPRVWPG-YJBOKZPZSA-N 1 1 331.423 3.542 20 30 EHEDMO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)CC1 ZINC000886757777 1138133363 /nfs/dbraw/zinc/13/33/63/1138133363.db2.gz RBFKLIPAAUMLJP-SJORKVTESA-N 1 1 344.499 3.930 20 30 EHEDMO Cc1cccc2nc(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)cn21 ZINC000264106634 1138419920 /nfs/dbraw/zinc/41/99/20/1138419920.db2.gz JSHNBHGPVQKNMZ-UHFFFAOYSA-N 1 1 346.434 3.558 20 30 EHEDMO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(OC)c(C#N)c2)o1 ZINC000131060249 1138493680 /nfs/dbraw/zinc/49/36/80/1138493680.db2.gz CNNDDOVLNWLFLV-QGZVFWFLSA-N 1 1 326.396 3.643 20 30 EHEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(OC)c(C#N)c2)o1 ZINC000131060249 1138493683 /nfs/dbraw/zinc/49/36/83/1138493683.db2.gz CNNDDOVLNWLFLV-QGZVFWFLSA-N 1 1 326.396 3.643 20 30 EHEDMO C[N@H+](Cc1ccc(Br)o1)Cc1ccc(OCC#N)cc1 ZINC000264573346 1138563444 /nfs/dbraw/zinc/56/34/44/1138563444.db2.gz SRPHKGQPPLBTFG-UHFFFAOYSA-N 1 1 335.201 3.576 20 30 EHEDMO C[N@@H+](Cc1ccc(Br)o1)Cc1ccc(OCC#N)cc1 ZINC000264573346 1138563446 /nfs/dbraw/zinc/56/34/46/1138563446.db2.gz SRPHKGQPPLBTFG-UHFFFAOYSA-N 1 1 335.201 3.576 20 30 EHEDMO CCCC[N@@H+](C)CC1CCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000264962834 1138688847 /nfs/dbraw/zinc/68/88/47/1138688847.db2.gz ZZDWNNGPSRXCGK-MDZDMXLPSA-N 1 1 339.483 3.542 20 30 EHEDMO CCCOc1ccc(C[NH2+]Cc2ccc(C#N)o2)c(OC(F)F)c1 ZINC000152029787 1139069339 /nfs/dbraw/zinc/06/93/39/1139069339.db2.gz AZNQQURGKUSBGY-UHFFFAOYSA-N 1 1 336.338 3.831 20 30 EHEDMO Fc1ccc(C#CCN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000152338262 1139085033 /nfs/dbraw/zinc/08/50/33/1139085033.db2.gz OOXRFAPWYOJFQL-XBXARRHUSA-N 1 1 334.438 3.508 20 30 EHEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000175849419 1139522068 /nfs/dbraw/zinc/52/20/68/1139522068.db2.gz SWZLKLDJZDILFB-SJLPKXTDSA-N 1 1 342.464 3.587 20 30 EHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000177070996 1139596056 /nfs/dbraw/zinc/59/60/56/1139596056.db2.gz HZVNCYJKRIIKIU-RDJZCZTQSA-N 1 1 343.471 3.683 20 30 EHEDMO C=CCN1CCC([NH2+][C@@H](C)c2ccc(F)cc2Br)CC1 ZINC000177907279 1139653642 /nfs/dbraw/zinc/65/36/42/1139653642.db2.gz BSSQXQAGEHRSQJ-LBPRGKRZSA-N 1 1 341.268 3.889 20 30 EHEDMO C#CCCCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000179981131 1139798454 /nfs/dbraw/zinc/79/84/54/1139798454.db2.gz SOJBICXZMANSMX-LEWJYISDSA-N 1 1 338.495 3.693 20 30 EHEDMO Cn1ccnc1[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000183337048 1140030362 /nfs/dbraw/zinc/03/03/62/1140030362.db2.gz DJKVODBOABSRKF-MRXNPFEDSA-N 1 1 333.357 3.531 20 30 EHEDMO Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183447032 1140038978 /nfs/dbraw/zinc/03/89/78/1140038978.db2.gz YTTLAZIPPOSUHC-RDJZCZTQSA-N 1 1 340.471 3.641 20 30 EHEDMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1nc(C)cs1 ZINC000184369727 1140099106 /nfs/dbraw/zinc/09/91/06/1140099106.db2.gz OCUWKVRFIHODKA-RISCZKNCSA-N 1 1 346.456 3.601 20 30 EHEDMO CC#CCCCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000185098593 1140135775 /nfs/dbraw/zinc/13/57/75/1140135775.db2.gz MCYDEJVJQFUXTM-UHFFFAOYSA-N 1 1 332.875 3.568 20 30 EHEDMO CC#CCCCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000185098593 1140135778 /nfs/dbraw/zinc/13/57/78/1140135778.db2.gz MCYDEJVJQFUXTM-UHFFFAOYSA-N 1 1 332.875 3.568 20 30 EHEDMO C#CCC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000185860704 1140174371 /nfs/dbraw/zinc/17/43/71/1140174371.db2.gz NNZVDFIDLQKILL-IEBWSBKVSA-N 1 1 326.484 3.547 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000186048965 1140184588 /nfs/dbraw/zinc/18/45/88/1140184588.db2.gz VCZLSZCMGCYYLA-UHFFFAOYSA-N 1 1 338.373 3.831 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000187730020 1140269330 /nfs/dbraw/zinc/26/93/30/1140269330.db2.gz OOXADHFBANBIJL-SFHVURJKSA-N 1 1 344.462 3.699 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000187730020 1140269332 /nfs/dbraw/zinc/26/93/32/1140269332.db2.gz OOXADHFBANBIJL-SFHVURJKSA-N 1 1 344.462 3.699 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000187730020 1140269335 /nfs/dbraw/zinc/26/93/35/1140269335.db2.gz OOXADHFBANBIJL-SFHVURJKSA-N 1 1 344.462 3.699 20 30 EHEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](c4ccc(F)cc4)C3)o2)cc1 ZINC000267993780 1140863737 /nfs/dbraw/zinc/86/37/37/1140863737.db2.gz BDVKYCZNVWWNJU-QGZVFWFLSA-N 1 1 348.381 3.737 20 30 EHEDMO Cc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268605424 1140961765 /nfs/dbraw/zinc/96/17/65/1140961765.db2.gz YDBHYRNLWOSTJI-LJQANCHMSA-N 1 1 348.450 3.605 20 30 EHEDMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CCCC#N)CC2 ZINC000268865503 1141011872 /nfs/dbraw/zinc/01/18/72/1141011872.db2.gz RPMQXFZMLFRBLJ-OAQYLSRUSA-N 1 1 336.435 3.955 20 30 EHEDMO C=CCC[C@H](NC(=O)NCCCn1cc[nH+]c1C)c1ccccc1 ZINC000269377035 1141101302 /nfs/dbraw/zinc/10/13/02/1141101302.db2.gz WGCCXNHSHYPVOO-SFHVURJKSA-N 1 1 326.444 3.588 20 30 EHEDMO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000274339804 1141499620 /nfs/dbraw/zinc/49/96/20/1141499620.db2.gz ANDLAARAKQCCJO-JTQLQIEISA-N 1 1 341.358 3.763 20 30 EHEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000098068923 219077779 /nfs/dbraw/zinc/07/77/79/219077779.db2.gz CRNZHWHXVHWSLD-UHFFFAOYSA-N 1 1 331.485 3.725 20 30 EHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000098068923 219077781 /nfs/dbraw/zinc/07/77/81/219077781.db2.gz CRNZHWHXVHWSLD-UHFFFAOYSA-N 1 1 331.485 3.725 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Br)s2)c(F)c1 ZINC000038018665 213191380 /nfs/dbraw/zinc/19/13/80/213191380.db2.gz MRVSNZDLFKYQRS-UHFFFAOYSA-N 1 1 325.206 3.811 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001573341967 947535466 /nfs/dbraw/zinc/53/54/66/947535466.db2.gz RWOPKEGPKUEIEZ-MRXNPFEDSA-N 1 1 333.439 3.658 20 30 EHEDMO C=CCCCCC[N@@H+](C)CC(=O)Nc1nnc(-c2sccc2C)o1 ZINC000153313677 1125469178 /nfs/dbraw/zinc/46/91/78/1125469178.db2.gz MOKCAQOWTGWKHD-UHFFFAOYSA-N 1 1 348.472 3.723 20 30 EHEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1nnc(-c2sccc2C)o1 ZINC000153313677 1125469182 /nfs/dbraw/zinc/46/91/82/1125469182.db2.gz MOKCAQOWTGWKHD-UHFFFAOYSA-N 1 1 348.472 3.723 20 30 EHEDMO N#Cc1c(NC(=O)CC[N@H+]2CCCC3(CC3)C2)sc2c1CCCC2 ZINC000186950499 1014624337 /nfs/dbraw/zinc/62/43/37/1014624337.db2.gz HRKCOCMWZDUWSY-UHFFFAOYSA-N 1 1 343.496 3.703 20 30 EHEDMO C=CC[C@H]1CCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000890555659 1014713815 /nfs/dbraw/zinc/71/38/15/1014713815.db2.gz BOVVPWOVDKNMPR-IRXDYDNUSA-N 1 1 327.472 3.670 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cccc(NC(=O)C(C)C)c2)no1 ZINC000904539573 1032108349 /nfs/dbraw/zinc/10/83/49/1032108349.db2.gz NLNDHLNUJOXYJB-OAHLLOKOSA-N 1 1 328.416 3.687 20 30 EHEDMO C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000286080451 1015160345 /nfs/dbraw/zinc/16/03/45/1015160345.db2.gz BNFNLBXVAJWXBL-OCCSQVGLSA-N 1 1 346.887 3.991 20 30 EHEDMO C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000286080455 1015161404 /nfs/dbraw/zinc/16/14/04/1015161404.db2.gz BNFNLBXVAJWXBL-TZMCWYRMSA-N 1 1 346.887 3.991 20 30 EHEDMO C=CCN1CC[C@@]2(C[N@@H+](CC/C=C\CC)C[C@@H]2c2ccccc2)C1=O ZINC001208727299 1015263659 /nfs/dbraw/zinc/26/36/59/1015263659.db2.gz LQRSMSLDNLUJDJ-OSUNSINCSA-N 1 1 338.495 3.847 20 30 EHEDMO N#CCCn1cc(C(=O)C[N@H+]2CC[C@@H](CC3CC3)C2)c2ccccc21 ZINC000339685336 1015515868 /nfs/dbraw/zinc/51/58/68/1015515868.db2.gz YVFFLKNWASDUPA-KRWDZBQOSA-N 1 1 335.451 3.860 20 30 EHEDMO Cc1[nH+]cn(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)c1C ZINC000339733644 1015616619 /nfs/dbraw/zinc/61/66/19/1015616619.db2.gz UOEIMDGEAWOPHY-UHFFFAOYSA-N 1 1 339.443 3.544 20 30 EHEDMO N#Cc1cccc(C2([NH2+]Cc3cnc(Br)s3)CC2)c1 ZINC000294950239 1015654809 /nfs/dbraw/zinc/65/48/09/1015654809.db2.gz IZDBQYJCYJVWJY-UHFFFAOYSA-N 1 1 334.242 3.556 20 30 EHEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000060090100 1015822475 /nfs/dbraw/zinc/82/24/75/1015822475.db2.gz XDHUCSFMUIESIL-ZDUSSCGKSA-N 1 1 343.377 3.858 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(=O)OC)cc1F ZINC000547765528 1016016302 /nfs/dbraw/zinc/01/63/02/1016016302.db2.gz IFRDPNZIKIIKKL-UHFFFAOYSA-N 1 1 340.398 3.896 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H](C)C1 ZINC000407971987 1016622396 /nfs/dbraw/zinc/62/23/96/1016622396.db2.gz ROBJKLHFLIAXGE-OLZOCXBDSA-N 1 1 331.485 3.557 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@H](C)C1 ZINC000407971987 1016622409 /nfs/dbraw/zinc/62/24/09/1016622409.db2.gz ROBJKLHFLIAXGE-OLZOCXBDSA-N 1 1 331.485 3.557 20 30 EHEDMO Cn1cc(C[N@@H+]2CCc3cc(F)ccc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000181441313 1016665325 /nfs/dbraw/zinc/66/53/25/1016665325.db2.gz SBMKFDAGOMFEBA-UHFFFAOYSA-N 1 1 346.409 3.656 20 30 EHEDMO Cn1cc(C[N@H+]2CCc3cc(F)ccc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000181441313 1016665336 /nfs/dbraw/zinc/66/53/36/1016665336.db2.gz SBMKFDAGOMFEBA-UHFFFAOYSA-N 1 1 346.409 3.656 20 30 EHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(OCC)c(OC)c1 ZINC000348630923 1016725284 /nfs/dbraw/zinc/72/52/84/1016725284.db2.gz BJNKKAMQEYCVHK-UHFFFAOYSA-N 1 1 345.439 3.758 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(OCC)c(OC)c1 ZINC000348630923 1016725301 /nfs/dbraw/zinc/72/53/01/1016725301.db2.gz BJNKKAMQEYCVHK-UHFFFAOYSA-N 1 1 345.439 3.758 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC000340238865 1016761809 /nfs/dbraw/zinc/76/18/09/1016761809.db2.gz VSNIRQGHGQNXLH-IBGZPJMESA-N 1 1 327.472 3.709 20 30 EHEDMO N#Cc1ccc2ncc(C[N@H+]3C[C@H](c4ccccc4)C4(CCC4)C3)n2c1 ZINC000414516037 1016949052 /nfs/dbraw/zinc/94/90/52/1016949052.db2.gz WAGMOIWNDLNRKJ-HXUWFJFHSA-N 1 1 342.446 3.976 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(OC3CCOCC3)cc2)no1 ZINC000904673536 1032192439 /nfs/dbraw/zinc/19/24/39/1032192439.db2.gz JXTYZDZKJDJYFH-QGZVFWFLSA-N 1 1 343.427 3.651 20 30 EHEDMO C=CCC[C@@H]([NH2+]Cc1nnnn1Cc1ccccc1)c1ccccc1 ZINC000538190523 1032210370 /nfs/dbraw/zinc/21/03/70/1032210370.db2.gz HLRRQTVWPJAUCE-LJQANCHMSA-N 1 1 333.439 3.519 20 30 EHEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000528391393 1032214567 /nfs/dbraw/zinc/21/45/67/1032214567.db2.gz ZCUHZQYWPWUUCB-ROUUACIJSA-N 1 1 340.423 3.508 20 30 EHEDMO Oc1ccc2ccccc2c1/C=N\[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000905002262 1032316130 /nfs/dbraw/zinc/31/61/30/1032316130.db2.gz GDJWGUMTGXVKNG-RJKQYODTSA-N 1 1 326.465 3.544 20 30 EHEDMO Cc1cccc2c1ncc(C#N)c2NCCCC[N@@H+]1CCCC[C@H]1C ZINC000610273382 1032317666 /nfs/dbraw/zinc/31/76/66/1032317666.db2.gz JQGWEHPRANZAHU-QGZVFWFLSA-N 1 1 336.483 3.903 20 30 EHEDMO C=CC[N@H+](CCOC)Cc1ccnc2c(Br)cccc12 ZINC000449283781 1032404436 /nfs/dbraw/zinc/40/44/36/1032404436.db2.gz MODYLTMJLJJWIO-UHFFFAOYSA-N 1 1 335.245 3.632 20 30 EHEDMO COCC1(C#N)CC[NH+](Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449310872 1032446529 /nfs/dbraw/zinc/44/65/29/1032446529.db2.gz ISUABIOTRJXWGD-UHFFFAOYSA-N 1 1 345.443 3.701 20 30 EHEDMO C=CC[N@H+](CC(=O)N(C)[C@H]1CCCC[C@H]1C)Cc1ccc(OC)cc1 ZINC000584424762 1032511336 /nfs/dbraw/zinc/51/13/36/1032511336.db2.gz QFDWCTSWQXRXLS-XLIONFOSSA-N 1 1 344.499 3.720 20 30 EHEDMO C=CC[N@@H+](CC(=O)N(C)[C@H]1CCCC[C@H]1C)Cc1ccc(OC)cc1 ZINC000584424762 1032511341 /nfs/dbraw/zinc/51/13/41/1032511341.db2.gz QFDWCTSWQXRXLS-XLIONFOSSA-N 1 1 344.499 3.720 20 30 EHEDMO C=CCCC[C@H](C)NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000537232895 1032570882 /nfs/dbraw/zinc/57/08/82/1032570882.db2.gz WZJXLGZEUKGTFW-OKZBNKHCSA-N 1 1 344.499 3.770 20 30 EHEDMO C=CCCC[C@H](C)NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000537232895 1032570888 /nfs/dbraw/zinc/57/08/88/1032570888.db2.gz WZJXLGZEUKGTFW-OKZBNKHCSA-N 1 1 344.499 3.770 20 30 EHEDMO C=CCCC[C@H](C)NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000537232890 1032570906 /nfs/dbraw/zinc/57/09/06/1032570906.db2.gz WZJXLGZEUKGTFW-BZSNNMDCSA-N 1 1 344.499 3.770 20 30 EHEDMO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCOc2ccc(C#N)cc2)CC1 ZINC000090106779 1032572914 /nfs/dbraw/zinc/57/29/14/1032572914.db2.gz AKYJGLDESFUNEP-UWJYYQICSA-N 1 1 341.499 3.570 20 30 EHEDMO C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000058580251 1032591601 /nfs/dbraw/zinc/59/16/01/1032591601.db2.gz JBDMCARPHRWHCH-WIYYLYMNSA-N 1 1 341.499 3.666 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3c(cccc3C(F)(F)F)C2)cc1 ZINC000528713180 1032655660 /nfs/dbraw/zinc/65/56/60/1032655660.db2.gz BQMPMJNJPYGDLC-SFHVURJKSA-N 1 1 346.352 3.669 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3c(cccc3C(F)(F)F)C2)cc1 ZINC000528713180 1032655673 /nfs/dbraw/zinc/65/56/73/1032655673.db2.gz BQMPMJNJPYGDLC-SFHVURJKSA-N 1 1 346.352 3.669 20 30 EHEDMO C=CCN1CCC([NH2+]Cc2nc(-c3cccc(OC)c3)cs2)CC1 ZINC000892881020 1017639637 /nfs/dbraw/zinc/63/96/37/1017639637.db2.gz OJIOTKWIJMUEQL-UHFFFAOYSA-N 1 1 343.496 3.559 20 30 EHEDMO C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000549251834 1017876516 /nfs/dbraw/zinc/87/65/16/1017876516.db2.gz CQXWXJUKVMPJOR-GOSISDBHSA-N 1 1 347.551 3.611 20 30 EHEDMO CC1(C)Cc2c(cnn2-c2ccccc2)C[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000828024008 1017984982 /nfs/dbraw/zinc/98/49/82/1017984982.db2.gz ZAMOEDSFZGRDKS-UHFFFAOYSA-N 1 1 346.434 3.921 20 30 EHEDMO CC1(C)Cc2c(cnn2-c2ccccc2)C[N@H+](Cc2ccc(C#N)o2)C1 ZINC000828024008 1017984990 /nfs/dbraw/zinc/98/49/90/1017984990.db2.gz ZAMOEDSFZGRDKS-UHFFFAOYSA-N 1 1 346.434 3.921 20 30 EHEDMO CC1(C)CN(c2ccc(Cl)cc2)CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000593991447 1032737040 /nfs/dbraw/zinc/73/70/40/1032737040.db2.gz DHFVKXJAONSRFO-UHFFFAOYSA-N 1 1 340.858 3.707 20 30 EHEDMO CC1(C)CN(c2ccc(Cl)cc2)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000593991447 1032737058 /nfs/dbraw/zinc/73/70/58/1032737058.db2.gz DHFVKXJAONSRFO-UHFFFAOYSA-N 1 1 340.858 3.707 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(F)c(C#N)c1 ZINC000344363995 1018125693 /nfs/dbraw/zinc/12/56/93/1018125693.db2.gz JPPLXWBZOKNBOF-KRWDZBQOSA-N 1 1 337.442 3.794 20 30 EHEDMO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187318297 1018292624 /nfs/dbraw/zinc/29/26/24/1018292624.db2.gz MDSXGJOZJXFYPG-AWEZNQCLSA-N 1 1 334.847 3.767 20 30 EHEDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187318297 1018292632 /nfs/dbraw/zinc/29/26/32/1018292632.db2.gz MDSXGJOZJXFYPG-AWEZNQCLSA-N 1 1 334.847 3.767 20 30 EHEDMO C[C@H]1Cc2c(C#N)c(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)sc2[C@@H](C)C1 ZINC000891175449 1018474458 /nfs/dbraw/zinc/47/44/58/1018474458.db2.gz VODLNJQUFPQXGT-RFGFWPKPSA-N 1 1 345.512 3.974 20 30 EHEDMO C=CC[C@H](CC)NC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000543997911 1018818950 /nfs/dbraw/zinc/81/89/50/1018818950.db2.gz FCMSOSUHEZMMLT-RLLQIKCJSA-N 1 1 343.515 3.941 20 30 EHEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000580226971 1018826975 /nfs/dbraw/zinc/82/69/75/1018826975.db2.gz ZNOKFFFKCYWMGX-GOSISDBHSA-N 1 1 334.463 3.955 20 30 EHEDMO CC(C)(NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(C#N)c1 ZINC000597950398 1032792626 /nfs/dbraw/zinc/79/26/26/1032792626.db2.gz ROHLQKLBQRBZQL-KRWDZBQOSA-N 1 1 339.483 3.564 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccccc1 ZINC000025417767 1018962824 /nfs/dbraw/zinc/96/28/24/1018962824.db2.gz VUNAVOCIRODCBA-CYBMUJFWSA-N 1 1 339.464 3.567 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccccc1 ZINC000025417767 1018962831 /nfs/dbraw/zinc/96/28/31/1018962831.db2.gz VUNAVOCIRODCBA-CYBMUJFWSA-N 1 1 339.464 3.567 20 30 EHEDMO CC[C@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000610413718 1018979420 /nfs/dbraw/zinc/97/94/20/1018979420.db2.gz DWZFJUOMGSACJU-STQMWFEESA-N 1 1 331.485 3.557 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419379225 1019010102 /nfs/dbraw/zinc/01/01/02/1019010102.db2.gz WKNBXZQEYCSZBG-QXSJWSMHSA-N 1 1 345.512 3.853 20 30 EHEDMO CC#Cc1cncc(Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c1 ZINC001211058182 1019329044 /nfs/dbraw/zinc/32/90/44/1019329044.db2.gz MRSCPOPEYVVKCM-UHFFFAOYSA-N 1 1 340.858 3.602 20 30 EHEDMO Cc1c(Cl)cnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1C#N ZINC000612085206 1032855348 /nfs/dbraw/zinc/85/53/48/1032855348.db2.gz VLMQCCZVTUPSKN-INIZCTEOSA-N 1 1 340.858 3.626 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000602454340 1032883598 /nfs/dbraw/zinc/88/35/98/1032883598.db2.gz MACHTBHFULEMDB-HOTGVXAUSA-N 1 1 346.450 3.599 20 30 EHEDMO CC[N@@H+](Cc1cc(C)c(C(=O)OC)[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602444547 1032893347 /nfs/dbraw/zinc/89/33/47/1032893347.db2.gz PIQRJLMVLVKVCM-AWEZNQCLSA-N 1 1 325.412 3.565 20 30 EHEDMO COc1ccc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)cc1OCCCC#N ZINC000280454357 1020398611 /nfs/dbraw/zinc/39/86/11/1020398611.db2.gz LOAZOLHAJRBGJT-IBGZPJMESA-N 1 1 346.471 3.625 20 30 EHEDMO COc1ccc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)cc1OCCCC#N ZINC000280454357 1020398618 /nfs/dbraw/zinc/39/86/18/1020398618.db2.gz LOAZOLHAJRBGJT-IBGZPJMESA-N 1 1 346.471 3.625 20 30 EHEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000280490677 1020432290 /nfs/dbraw/zinc/43/22/90/1020432290.db2.gz MEPLVTPHKLOAHX-NSHDSACASA-N 1 1 346.228 3.575 20 30 EHEDMO C=CCCCCCN(C)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000606916770 1032902143 /nfs/dbraw/zinc/90/21/43/1032902143.db2.gz CTHHMYVGVPYVKU-MRXNPFEDSA-N 1 1 349.544 3.883 20 30 EHEDMO C=CCCCCCN(C)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000606916770 1032902165 /nfs/dbraw/zinc/90/21/65/1032902165.db2.gz CTHHMYVGVPYVKU-MRXNPFEDSA-N 1 1 349.544 3.883 20 30 EHEDMO C=CCCO[C@@H](C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000345807167 1020519097 /nfs/dbraw/zinc/51/90/97/1020519097.db2.gz LPLKSEDHUYMDQW-ROUUACIJSA-N 1 1 344.499 3.658 20 30 EHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000602481920 1032910480 /nfs/dbraw/zinc/91/04/80/1032910480.db2.gz DBFKXHYDHOOGAF-AWEZNQCLSA-N 1 1 338.480 3.668 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1Cl ZINC000093869922 1032918273 /nfs/dbraw/zinc/91/82/73/1032918273.db2.gz QEVZSSRQGCRTKJ-MRXNPFEDSA-N 1 1 345.874 3.703 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000501044115 1020663334 /nfs/dbraw/zinc/66/33/34/1020663334.db2.gz HBNDTGBCEFSJHW-MRXNPFEDSA-N 1 1 335.517 3.710 20 30 EHEDMO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000581313810 1020668092 /nfs/dbraw/zinc/66/80/92/1020668092.db2.gz SJTSTLIHIOSFEW-ZWNOBZJWSA-N 1 1 327.306 3.629 20 30 EHEDMO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000581313810 1020668095 /nfs/dbraw/zinc/66/80/95/1020668095.db2.gz SJTSTLIHIOSFEW-ZWNOBZJWSA-N 1 1 327.306 3.629 20 30 EHEDMO C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000606968143 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3.720 20 30 EHEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439452460 1021453301 /nfs/dbraw/zinc/45/33/01/1021453301.db2.gz NFCVYIMHZOEWSN-WMLDXEAASA-N 1 1 347.890 3.728 20 30 EHEDMO Cn1ncc2c1CC(C)(C)C[N@H+](CC#Cc1cccc(Cl)c1)C2 ZINC000664879137 1021471568 /nfs/dbraw/zinc/47/15/68/1021471568.db2.gz YMMGWBHDRDCOOM-UHFFFAOYSA-N 1 1 327.859 3.510 20 30 EHEDMO Cn1ncc2c1CC(C)(C)C[N@@H+](CC#Cc1cccc(Cl)c1)C2 ZINC000664879137 1021471575 /nfs/dbraw/zinc/47/15/75/1021471575.db2.gz YMMGWBHDRDCOOM-UHFFFAOYSA-N 1 1 327.859 3.510 20 30 EHEDMO C[N@@H+](CCCOCc1ccccc1)Cc1cn2ccccc2c1C#N ZINC000439483942 1021493607 /nfs/dbraw/zinc/49/36/07/1021493607.db2.gz CEPDLHUMVPUKQM-UHFFFAOYSA-N 1 1 333.435 3.850 20 30 EHEDMO CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccccc1C#N ZINC001270803111 1021542712 /nfs/dbraw/zinc/54/27/12/1021542712.db2.gz GCUJZWOINFMTEL-YTQUADARSA-N 1 1 339.483 3.673 20 30 EHEDMO C=CCCC(C)(C)NC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000664924366 1021550159 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CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(C)C ZINC000514116628 1024147521 /nfs/dbraw/zinc/14/75/21/1024147521.db2.gz KIPOMHYHPSGTIH-UHFFFAOYSA-N 1 1 333.501 3.805 20 30 EHEDMO C[C@H](SCC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1nc2ccccc2[nH]1 ZINC000329985758 1024275872 /nfs/dbraw/zinc/27/58/72/1024275872.db2.gz RHUZMGJLLUYQLU-HZSPNIEDSA-N 1 1 346.500 3.796 20 30 EHEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccn(-c3ccccc3)n2)cc1 ZINC000163177402 1024287694 /nfs/dbraw/zinc/28/76/94/1024287694.db2.gz QSCLLHGOBSSZNJ-QGZVFWFLSA-N 1 1 331.419 3.735 20 30 EHEDMO CC(C)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1cccc(F)c1 ZINC000434714201 1024320731 /nfs/dbraw/zinc/32/07/31/1024320731.db2.gz ODBLXDDOAAAPRP-UHFFFAOYSA-N 1 1 339.414 3.937 20 30 EHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)C1 ZINC000330236224 1024365946 /nfs/dbraw/zinc/36/59/46/1024365946.db2.gz HGLXVTJOXSYNKG-HYVNUMGLSA-N 1 1 327.476 3.724 20 30 EHEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)C1 ZINC000330236224 1024365958 /nfs/dbraw/zinc/36/59/58/1024365958.db2.gz HGLXVTJOXSYNKG-HYVNUMGLSA-N 1 1 327.476 3.724 20 30 EHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)C1 ZINC000330236224 1024365974 /nfs/dbraw/zinc/36/59/74/1024365974.db2.gz HGLXVTJOXSYNKG-HYVNUMGLSA-N 1 1 327.476 3.724 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000443660964 1024374510 /nfs/dbraw/zinc/37/45/10/1024374510.db2.gz ZTIZTHVWFDAIIR-IXDOHACOSA-N 1 1 345.462 3.829 20 30 EHEDMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000330258799 1024374484 /nfs/dbraw/zinc/37/44/84/1024374484.db2.gz RQAUPQZANOTTTL-PVXIVEMSSA-N 1 1 343.418 3.555 20 30 EHEDMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000330258799 1024374502 /nfs/dbraw/zinc/37/45/02/1024374502.db2.gz RQAUPQZANOTTTL-PVXIVEMSSA-N 1 1 343.418 3.555 20 30 EHEDMO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000280921014 1024464820 /nfs/dbraw/zinc/46/48/20/1024464820.db2.gz VDLPFBBZFWIUEO-KRWDZBQOSA-N 1 1 340.471 3.616 20 30 EHEDMO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000472046387 1024479721 /nfs/dbraw/zinc/47/97/21/1024479721.db2.gz CQAAEFPHKNIVLJ-HXUWFJFHSA-N 1 1 343.515 3.752 20 30 EHEDMO CC(C)c1nnc(CC2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)[nH]1 ZINC000602862526 1033214138 /nfs/dbraw/zinc/21/41/38/1033214138.db2.gz JWVYPFSMQIKEAN-HNNXBMFYSA-N 1 1 337.471 3.815 20 30 EHEDMO CC(C)c1nc(CC2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)n[nH]1 ZINC000602862526 1033214153 /nfs/dbraw/zinc/21/41/53/1033214153.db2.gz JWVYPFSMQIKEAN-HNNXBMFYSA-N 1 1 337.471 3.815 20 30 EHEDMO CCC[N@@H+](Cc1ccc(Br)cc1C#N)C1CCOCC1 ZINC001141817117 1024591132 /nfs/dbraw/zinc/59/11/32/1024591132.db2.gz WYAZVCKGSTWIQI-UHFFFAOYSA-N 1 1 337.261 3.712 20 30 EHEDMO C=CCC[C@@H](NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000435095904 1024616535 /nfs/dbraw/zinc/61/65/35/1024616535.db2.gz JSRMKEPDVKZGEX-AZUAARDMSA-N 1 1 343.515 3.971 20 30 EHEDMO CCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(C)cc1 ZINC000611565666 1024685727 /nfs/dbraw/zinc/68/57/27/1024685727.db2.gz NFWPHQJCPFLXKE-UHFFFAOYSA-N 1 1 327.472 3.550 20 30 EHEDMO C[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)C[C@H](c2ccsc2)O1 ZINC000281153696 1024710486 /nfs/dbraw/zinc/71/04/86/1024710486.db2.gz BMWPLOCMHVLDJO-DOTOQJQBSA-N 1 1 334.485 3.610 20 30 EHEDMO C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)C[C@H](c2ccsc2)O1 ZINC000281153696 1024710491 /nfs/dbraw/zinc/71/04/91/1024710491.db2.gz BMWPLOCMHVLDJO-DOTOQJQBSA-N 1 1 334.485 3.610 20 30 EHEDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000507914671 1024764658 /nfs/dbraw/zinc/76/46/58/1024764658.db2.gz QJGRDQSZYKTASQ-OAHLLOKOSA-N 1 1 341.405 3.715 20 30 EHEDMO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000157197896 1024793698 /nfs/dbraw/zinc/79/36/98/1024793698.db2.gz PFKPPWPVNRTTKO-HXUWFJFHSA-N 1 1 343.434 3.691 20 30 EHEDMO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000157197896 1024793711 /nfs/dbraw/zinc/79/37/11/1024793711.db2.gz PFKPPWPVNRTTKO-HXUWFJFHSA-N 1 1 343.434 3.691 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000346535707 1024840880 /nfs/dbraw/zinc/84/08/80/1024840880.db2.gz BLEUBJOVIQTSHO-CRAIPNDOSA-N 1 1 327.472 3.671 20 30 EHEDMO CCC#CC(=O)N1CCC[C@@]2(CC[N@H+](C[C@H](CC)CCCC)C2)C1 ZINC001269950620 1024855727 /nfs/dbraw/zinc/85/57/27/1024855727.db2.gz XHEXKIODITZOLG-CTNGQTDRSA-N 1 1 332.532 3.931 20 30 EHEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1cc(OC)cc(OC)c1 ZINC000508051837 1024859521 /nfs/dbraw/zinc/85/95/21/1024859521.db2.gz IEXIWHDDJUJWMC-UHFFFAOYSA-N 1 1 327.424 3.901 20 30 EHEDMO C=CCOc1ccccc1C[N@H+](C)Cc1cc(OC)cc(OC)c1 ZINC000508051837 1024859539 /nfs/dbraw/zinc/85/95/39/1024859539.db2.gz IEXIWHDDJUJWMC-UHFFFAOYSA-N 1 1 327.424 3.901 20 30 EHEDMO COc1cc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000425366427 1024874316 /nfs/dbraw/zinc/87/43/16/1024874316.db2.gz PTHDYNXVMDCNNO-IEBWSBKVSA-N 1 1 342.826 3.528 20 30 EHEDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000425366427 1024874326 /nfs/dbraw/zinc/87/43/26/1024874326.db2.gz PTHDYNXVMDCNNO-IEBWSBKVSA-N 1 1 342.826 3.528 20 30 EHEDMO C[C@H](c1ccccc1F)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000071948304 1024895316 /nfs/dbraw/zinc/89/53/16/1024895316.db2.gz DDQZMIZSYFGYOO-CQSZACIVSA-N 1 1 327.378 3.720 20 30 EHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000514977324 1024939344 /nfs/dbraw/zinc/93/93/44/1024939344.db2.gz XHSVRWJEIMOXME-FPOVZHCZSA-N 1 1 337.463 3.774 20 30 EHEDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(F)cc1 ZINC000346611357 1024953628 /nfs/dbraw/zinc/95/36/28/1024953628.db2.gz SIRVJWLUPTVBTJ-UHFFFAOYSA-N 1 1 339.414 3.937 20 30 EHEDMO COCc1ccc([C@@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)o1 ZINC000281388695 1024991871 /nfs/dbraw/zinc/99/18/71/1024991871.db2.gz PRMXBLSJDRETPZ-KRWDZBQOSA-N 1 1 332.444 3.663 20 30 EHEDMO C=CCOc1ccc(CN[C@@H](C)c2n[nH]c([C@H](C)CC)n2)cc1OC ZINC000277415979 1025026761 /nfs/dbraw/zinc/02/67/61/1025026761.db2.gz MEBDNYOHIJRUOS-KGLIPLIRSA-N 1 1 344.459 3.742 20 30 EHEDMO CN(Cc1cccc(F)c1C#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000428220676 1025053614 /nfs/dbraw/zinc/05/36/14/1025053614.db2.gz RPXUBXGHCLUSLI-LJQANCHMSA-N 1 1 337.442 3.794 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cccc(F)c2C#N)C1 ZINC000428233489 1025057213 /nfs/dbraw/zinc/05/72/13/1025057213.db2.gz SGJJLKILCFOZEH-SJORKVTESA-N 1 1 329.463 3.784 20 30 EHEDMO CCOC(=O)[C@H](CC)[N@H+](Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000469712100 1025073439 /nfs/dbraw/zinc/07/34/39/1025073439.db2.gz ZFNRWWPUXFMUEJ-SFHVURJKSA-N 1 1 328.456 3.794 20 30 EHEDMO CCOC(=O)[C@H](CC)[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000469712100 1025073446 /nfs/dbraw/zinc/07/34/46/1025073446.db2.gz ZFNRWWPUXFMUEJ-SFHVURJKSA-N 1 1 328.456 3.794 20 30 EHEDMO C=CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1F ZINC000071996776 1025119653 /nfs/dbraw/zinc/11/96/53/1025119653.db2.gz HQMNQPQOBOBXPR-UHFFFAOYSA-N 1 1 330.359 3.801 20 30 EHEDMO C=CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1F ZINC000071996776 1025119663 /nfs/dbraw/zinc/11/96/63/1025119663.db2.gz HQMNQPQOBOBXPR-UHFFFAOYSA-N 1 1 330.359 3.801 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N[C@H](C)c1cccs1 ZINC000521068943 1025188306 /nfs/dbraw/zinc/18/83/06/1025188306.db2.gz RNAHLWJFQOINHH-MRXNPFEDSA-N 1 1 328.481 3.656 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N[C@H](C)c1cccs1 ZINC000521068943 1025188318 /nfs/dbraw/zinc/18/83/18/1025188318.db2.gz RNAHLWJFQOINHH-MRXNPFEDSA-N 1 1 328.481 3.656 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000346077951 1025189435 /nfs/dbraw/zinc/18/94/35/1025189435.db2.gz BBEMEVLSSFRQAO-AWEZNQCLSA-N 1 1 328.362 3.835 20 30 EHEDMO CC(C)C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)Cc1ccc(C#N)cc1 ZINC000521195622 1025268592 /nfs/dbraw/zinc/26/85/92/1025268592.db2.gz LDVHURSLOSXXTL-YLJYHZDGSA-N 1 1 341.499 3.711 20 30 EHEDMO C=CCCn1cc(C[NH2+]Cc2c(C)cc(Br)cc2C)nn1 ZINC000657337438 1025284830 /nfs/dbraw/zinc/28/48/30/1025284830.db2.gz VBOUVRNRZFPYJP-UHFFFAOYSA-N 1 1 349.276 3.523 20 30 EHEDMO CC[N@@H+](CCc1cccs1)CC(=O)N(CCC#N)c1ccccc1 ZINC000346893891 1025291389 /nfs/dbraw/zinc/29/13/89/1025291389.db2.gz DEJNSXLTCUPUHH-UHFFFAOYSA-N 1 1 341.480 3.559 20 30 EHEDMO Cc1cccc(NC(=[NH2+])NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000262371706 1025343514 /nfs/dbraw/zinc/34/35/14/1025343514.db2.gz WTPJEPBSJYETAE-INIZCTEOSA-N 1 1 328.485 3.620 20 30 EHEDMO N#Cc1ccc(CN2CCC[N@@H+](CC3CCCCC3)CC2)c(F)c1 ZINC000521422331 1025372883 /nfs/dbraw/zinc/37/28/83/1025372883.db2.gz PWBMNIYQDAJJKE-UHFFFAOYSA-N 1 1 329.463 3.785 20 30 EHEDMO Cc1ccc(Cl)cc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000019797717 1025373529 /nfs/dbraw/zinc/37/35/29/1025373529.db2.gz QYSRPLFPQHCPAX-UHFFFAOYSA-N 1 1 325.843 3.842 20 30 EHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(C#N)ccc2F)C1 ZINC000439012963 1025404401 /nfs/dbraw/zinc/40/44/01/1025404401.db2.gz VRPPNENONBDYAY-JBCDFXQESA-N 1 1 330.447 3.849 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000098030227 1025405827 /nfs/dbraw/zinc/40/58/27/1025405827.db2.gz SZVQLDOSGLLADA-JKSUJKDBSA-N 1 1 335.517 3.566 20 30 EHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(C#N)ccc2F)C1 ZINC000439012966 1025412861 /nfs/dbraw/zinc/41/28/61/1025412861.db2.gz VRPPNENONBDYAY-JRJVTICQSA-N 1 1 330.447 3.849 20 30 EHEDMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1c1cccc2ccccc21)C1CC1 ZINC000098137009 1025431375 /nfs/dbraw/zinc/43/13/75/1025431375.db2.gz ADUONHYBEGFUTH-IFMALSPDSA-N 1 1 347.462 3.785 20 30 EHEDMO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000046518528 1033286964 /nfs/dbraw/zinc/28/69/64/1033286964.db2.gz IUBFVBAZBRHXRA-IAGOWNOFSA-N 1 1 349.478 3.818 20 30 EHEDMO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000046518528 1033286975 /nfs/dbraw/zinc/28/69/75/1033286975.db2.gz IUBFVBAZBRHXRA-IAGOWNOFSA-N 1 1 349.478 3.818 20 30 EHEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000582173390 1025528453 /nfs/dbraw/zinc/52/84/53/1025528453.db2.gz ZNGJEDNPOSLBOQ-FQEVSTJZSA-N 1 1 349.434 3.515 20 30 EHEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000329050539 1025580010 /nfs/dbraw/zinc/58/00/10/1025580010.db2.gz GZVISAOQXYQSMU-JZXOWHBKSA-N 1 1 346.471 3.604 20 30 EHEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000329050539 1025580018 /nfs/dbraw/zinc/58/00/18/1025580018.db2.gz GZVISAOQXYQSMU-JZXOWHBKSA-N 1 1 346.471 3.604 20 30 EHEDMO COc1ccc(C[N@@H+](CCCC2(C#N)CCOCC2)C2CC2)cc1 ZINC000281871154 1025618381 /nfs/dbraw/zinc/61/83/81/1025618381.db2.gz CFJDUXKBFDOVJI-UHFFFAOYSA-N 1 1 328.456 3.760 20 30 EHEDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](C)C3(CCC3)C2)cc1OC ZINC000329138351 1025622857 /nfs/dbraw/zinc/62/28/57/1025622857.db2.gz IFYKFMIUOIJLBK-AWEZNQCLSA-N 1 1 332.444 3.804 20 30 EHEDMO Cn1cc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c(C2CCCCC2)n1 ZINC000329138096 1025623236 /nfs/dbraw/zinc/62/32/36/1025623236.db2.gz DNMSXJKBULDAGS-INIZCTEOSA-N 1 1 344.503 3.789 20 30 EHEDMO C=CCOc1ccc(CNCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000521814082 1025691252 /nfs/dbraw/zinc/69/12/52/1025691252.db2.gz XXQZVINOWIEYMS-QGZVFWFLSA-N 1 1 346.515 3.860 20 30 EHEDMO C=CCOc1ccc(C[NH2+]CC(C)(C)N2CCC[C@@H](C)C2)cc1OC ZINC000521814082 1025691263 /nfs/dbraw/zinc/69/12/63/1025691263.db2.gz XXQZVINOWIEYMS-QGZVFWFLSA-N 1 1 346.515 3.860 20 30 EHEDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000451262649 1025718531 /nfs/dbraw/zinc/71/85/31/1025718531.db2.gz XWXFEIOPMXNOKC-DENIHFKCSA-N 1 1 348.490 3.979 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000347261427 1025756284 /nfs/dbraw/zinc/75/62/84/1025756284.db2.gz AOOJJVZNYRSYLF-FQEVSTJZSA-N 1 1 336.435 3.748 20 30 EHEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1sccc1C#N ZINC000347287402 1025834228 /nfs/dbraw/zinc/83/42/28/1025834228.db2.gz HZEMVDPXBDOLBH-KRWDZBQOSA-N 1 1 341.480 3.506 20 30 EHEDMO CC1CCC(CC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000329489007 1025913400 /nfs/dbraw/zinc/91/34/00/1025913400.db2.gz YGQBMMOYKLFEGY-UHYCVJNDSA-N 1 1 344.499 3.926 20 30 EHEDMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000007486535 1025926435 /nfs/dbraw/zinc/92/64/35/1025926435.db2.gz HKNRNGSBWBGFSZ-ZDUSSCGKSA-N 1 1 331.485 3.702 20 30 EHEDMO C=CC1CC[NH+](CC(=O)c2cc(C)n(Cc3ccco3)c2C)CC1 ZINC000444253586 1025975160 /nfs/dbraw/zinc/97/51/60/1025975160.db2.gz ZUCCMMROZLPKIU-UHFFFAOYSA-N 1 1 326.440 3.827 20 30 EHEDMO Cc1c(C#N)cccc1NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000178564625 1026000103 /nfs/dbraw/zinc/00/01/03/1026000103.db2.gz CUYJMDVYBYGYGI-IYBDPMFKSA-N 1 1 342.487 3.746 20 30 EHEDMO C=CC[C@@H]1CC[N@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000934470493 1026277915 /nfs/dbraw/zinc/27/79/15/1026277915.db2.gz DSSDXPXDPREKPV-CYBMUJFWSA-N 1 1 334.217 3.650 20 30 EHEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000934470493 1026277924 /nfs/dbraw/zinc/27/79/24/1026277924.db2.gz DSSDXPXDPREKPV-CYBMUJFWSA-N 1 1 334.217 3.650 20 30 EHEDMO FC1(F)[C@H]2C[NH+](Cc3ccoc3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897054006 1026279828 /nfs/dbraw/zinc/27/98/28/1026279828.db2.gz GOPJFRDRDKCCOT-IUCAKERBSA-N 1 1 349.221 3.882 20 30 EHEDMO C=CCN(Cc1ccccc1)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000065550416 1026287497 /nfs/dbraw/zinc/28/74/97/1026287497.db2.gz GDBMWZFEGWNTHK-GOSISDBHSA-N 1 1 343.515 3.895 20 30 EHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451854856 1026327241 /nfs/dbraw/zinc/32/72/41/1026327241.db2.gz NYMMJFNQMHIOMO-LJQANCHMSA-N 1 1 335.407 3.707 20 30 EHEDMO C=CCCC[N@@H+](C)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000523010665 1026358195 /nfs/dbraw/zinc/35/81/95/1026358195.db2.gz PBHUQEKWVFWKPH-UHFFFAOYSA-N 1 1 336.284 3.665 20 30 EHEDMO C=CCCC[N@H+](C)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000523010665 1026358205 /nfs/dbraw/zinc/35/82/05/1026358205.db2.gz PBHUQEKWVFWKPH-UHFFFAOYSA-N 1 1 336.284 3.665 20 30 EHEDMO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1csc2ccccc12 ZINC000339145674 1026407655 /nfs/dbraw/zinc/40/76/55/1026407655.db2.gz QFADBZPXHFQHKW-UHFFFAOYSA-N 1 1 349.459 3.521 20 30 EHEDMO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1csc2ccccc12 ZINC000339145674 1026407663 /nfs/dbraw/zinc/40/76/63/1026407663.db2.gz QFADBZPXHFQHKW-UHFFFAOYSA-N 1 1 349.459 3.521 20 30 EHEDMO COC[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000452100845 1026476767 /nfs/dbraw/zinc/47/67/67/1026476767.db2.gz IQZKUSITHLLFHM-CYBMUJFWSA-N 1 1 337.261 3.569 20 30 EHEDMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(OCCCC#N)c1 ZINC000339266853 1026477760 /nfs/dbraw/zinc/47/77/60/1026477760.db2.gz WCOFXBVTDQVCOK-INIZCTEOSA-N 1 1 329.444 3.572 20 30 EHEDMO C=CCC[C@H](C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)c1ccccc1 ZINC000452174427 1026521573 /nfs/dbraw/zinc/52/15/73/1026521573.db2.gz QBJWLAJMTNOGPY-PXNSSMCTSA-N 1 1 326.484 3.679 20 30 EHEDMO C=CCC[N@H+](C)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000342731633 1026886175 /nfs/dbraw/zinc/88/61/75/1026886175.db2.gz LSZUUDKQKIAGCF-INIZCTEOSA-N 1 1 340.389 3.704 20 30 EHEDMO COc1ccc(CN2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1C#N ZINC000340196163 1026904939 /nfs/dbraw/zinc/90/49/39/1026904939.db2.gz XGJGFNJIVZYNEO-SFHVURJKSA-N 1 1 349.478 3.663 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000459258758 1027118618 /nfs/dbraw/zinc/11/86/18/1027118618.db2.gz MFJMSQNWPWXHAA-QGZVFWFLSA-N 1 1 348.535 3.612 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000582732859 1027210695 /nfs/dbraw/zinc/21/06/95/1027210695.db2.gz KROMIRSENLDABX-WBVHZDCISA-N 1 1 332.513 3.773 20 30 EHEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)CC1 ZINC000453105320 1027370780 /nfs/dbraw/zinc/37/07/80/1027370780.db2.gz WSIJVDDJJVXRNH-KRWDZBQOSA-N 1 1 338.499 3.778 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1CCc2cc(F)c(Br)cc2C1 ZINC000897306507 1027436641 /nfs/dbraw/zinc/43/66/41/1027436641.db2.gz GTJFTMOZWWCXRE-NSHDSACASA-N 1 1 325.225 3.886 20 30 EHEDMO C[C@@H](CCC#N)C[N@@H+]1CCc2cc(F)c(Br)cc2C1 ZINC000897306507 1027436632 /nfs/dbraw/zinc/43/66/32/1027436632.db2.gz GTJFTMOZWWCXRE-NSHDSACASA-N 1 1 325.225 3.886 20 30 EHEDMO CC(C)[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)CC1CC1 ZINC000532659111 1027444905 /nfs/dbraw/zinc/44/49/05/1027444905.db2.gz BSDQLVZXGXENGN-UHFFFAOYSA-N 1 1 333.863 3.707 20 30 EHEDMO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)CC1(C)C ZINC000273746349 1027596985 /nfs/dbraw/zinc/59/69/85/1027596985.db2.gz SNPDFZOJBNGCGA-AWEZNQCLSA-N 1 1 331.485 3.609 20 30 EHEDMO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)CC1(C)C ZINC000273746349 1027597005 /nfs/dbraw/zinc/59/70/05/1027597005.db2.gz SNPDFZOJBNGCGA-AWEZNQCLSA-N 1 1 331.485 3.609 20 30 EHEDMO C[N@H+]1CCC[C@H](CNC(=O)C2(C#N)CCCCC2)[C@@H]1c1cccs1 ZINC000130016432 1027627939 /nfs/dbraw/zinc/62/79/39/1027627939.db2.gz JFDIGFTVYSQOHQ-NVXWUHKLSA-N 1 1 345.512 3.721 20 30 EHEDMO Cc1ccc(N2CCC(Nc3ccc(C#N)c(Cl)c3)CC2)[nH+]c1 ZINC000078305593 1027657065 /nfs/dbraw/zinc/65/70/65/1027657065.db2.gz VBQWGHNLNCOVQA-UHFFFAOYSA-N 1 1 326.831 3.996 20 30 EHEDMO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000186627857 1027708844 /nfs/dbraw/zinc/70/88/44/1027708844.db2.gz CQLFWJPFJDZZSI-XOBRGWDASA-N 1 1 334.398 3.871 20 30 EHEDMO COc1cc(Br)ccc1CCC[N@@H+](C)[C@H](C)CC#N ZINC000182003495 1125110693 /nfs/dbraw/zinc/11/06/93/1125110693.db2.gz YEACJZXUBIRLOD-GFCCVEGCSA-N 1 1 325.250 3.624 20 30 EHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000459339225 1027726015 /nfs/dbraw/zinc/72/60/15/1027726015.db2.gz HEBDOEQIOOYLPA-OAHLLOKOSA-N 1 1 325.343 3.595 20 30 EHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000459339225 1027726033 /nfs/dbraw/zinc/72/60/33/1027726033.db2.gz HEBDOEQIOOYLPA-OAHLLOKOSA-N 1 1 325.343 3.595 20 30 EHEDMO C=CCCC[N@H+](C)CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000347336476 1027776941 /nfs/dbraw/zinc/77/69/41/1027776941.db2.gz VRWMWGWIFZSGLB-UHFFFAOYSA-N 1 1 326.440 3.706 20 30 EHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(CN2CCOCC2)cc1 ZINC000420918993 1027864910 /nfs/dbraw/zinc/86/49/10/1027864910.db2.gz XVIQFKHOKMUPAJ-UHFFFAOYSA-N 1 1 343.515 3.671 20 30 EHEDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000078562934 1027967620 /nfs/dbraw/zinc/96/76/20/1027967620.db2.gz NHWKCWULDLOFED-CQSZACIVSA-N 1 1 325.378 3.745 20 30 EHEDMO CCC[N@@H+](C)C[C@H]1CCN(c2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000078563768 1027967932 /nfs/dbraw/zinc/96/79/32/1027967932.db2.gz HGTVABBKMVCHBO-CQSZACIVSA-N 1 1 342.874 3.928 20 30 EHEDMO C=C(C)CCNC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000455312171 1027993848 /nfs/dbraw/zinc/99/38/48/1027993848.db2.gz GJWJVAVJMRZYCT-MJGOQNOKSA-N 1 1 329.488 3.553 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)CCc2ccccc2)c1C ZINC000052000450 1028063931 /nfs/dbraw/zinc/06/39/31/1028063931.db2.gz PJOPJNLVNLPXBB-UHFFFAOYSA-N 1 1 349.478 3.725 20 30 EHEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000444636877 1028088164 /nfs/dbraw/zinc/08/81/64/1028088164.db2.gz HSEAHJJAVVUBPQ-LJQANCHMSA-N 1 1 341.499 3.991 20 30 EHEDMO CC[N@H+](CC(=O)Nc1sccc1C#N)Cc1cccc(Cl)c1 ZINC000052906497 1028140515 /nfs/dbraw/zinc/14/05/15/1028140515.db2.gz GAOVZTAAVCCPRS-UHFFFAOYSA-N 1 1 333.844 3.734 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1sccc1C#N)Cc1cccc(Cl)c1 ZINC000052906497 1028140518 /nfs/dbraw/zinc/14/05/18/1028140518.db2.gz GAOVZTAAVCCPRS-UHFFFAOYSA-N 1 1 333.844 3.734 20 30 EHEDMO CC[N@H+](CC(=O)Nc1sccc1C#N)[C@H](C)c1ccc(F)cc1 ZINC000053087888 1028151025 /nfs/dbraw/zinc/15/10/25/1028151025.db2.gz KJNRKGCMASOTJI-GFCCVEGCSA-N 1 1 331.416 3.780 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1sccc1C#N)[C@H](C)c1ccc(F)cc1 ZINC000053087888 1028151037 /nfs/dbraw/zinc/15/10/37/1028151037.db2.gz KJNRKGCMASOTJI-GFCCVEGCSA-N 1 1 331.416 3.780 20 30 EHEDMO C=CC[C@@H]1[N@@H+](Cc2cc(=O)n3cc(C)ccc3n2)CCCC1(C)C ZINC000444782187 1028241980 /nfs/dbraw/zinc/24/19/80/1028241980.db2.gz IAPMJZIUAVVJJN-KRWDZBQOSA-N 1 1 325.456 3.570 20 30 EHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000502467687 1028243554 /nfs/dbraw/zinc/24/35/54/1028243554.db2.gz IWFXWEVTUHHGAA-CQSZACIVSA-N 1 1 330.378 3.980 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000502467687 1028243565 /nfs/dbraw/zinc/24/35/65/1028243565.db2.gz IWFXWEVTUHHGAA-CQSZACIVSA-N 1 1 330.378 3.980 20 30 EHEDMO C=CC[C@H]1[N@H+](Cc2nnnn2-c2c(C)cccc2C)CCCC1(C)C ZINC000444774822 1028262310 /nfs/dbraw/zinc/26/23/10/1028262310.db2.gz KNWPEYJCMBAUFB-QGZVFWFLSA-N 1 1 339.487 3.846 20 30 EHEDMO C=CC[C@H]1[N@@H+](Cc2nnnn2-c2c(C)cccc2C)CCCC1(C)C ZINC000444774822 1028262322 /nfs/dbraw/zinc/26/23/22/1028262322.db2.gz KNWPEYJCMBAUFB-QGZVFWFLSA-N 1 1 339.487 3.846 20 30 EHEDMO C=CC[C@H]1[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCCC1(C)C ZINC000444788548 1028288373 /nfs/dbraw/zinc/28/83/73/1028288373.db2.gz WMBXOLDJJVRWTF-MRXNPFEDSA-N 1 1 345.443 3.908 20 30 EHEDMO CCN(c1cc[nH+]c(NCc2ccc(C#N)cc2F)n1)C1CCCC1 ZINC000508516643 1028519627 /nfs/dbraw/zinc/51/96/27/1028519627.db2.gz QABFYGQADCFNCW-UHFFFAOYSA-N 1 1 339.418 3.868 20 30 EHEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000502664662 1028523913 /nfs/dbraw/zinc/52/39/13/1028523913.db2.gz RESZJEQFNSCSNI-OAHLLOKOSA-N 1 1 334.851 3.598 20 30 EHEDMO CN(C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)C1(C#N)CCC1 ZINC000073052044 1028537981 /nfs/dbraw/zinc/53/79/81/1028537981.db2.gz RHZGRKHYAUSISU-UHFFFAOYSA-N 1 1 347.462 3.593 20 30 EHEDMO CC(C)[N@@H+](C)CC1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000523759617 1028596153 /nfs/dbraw/zinc/59/61/53/1028596153.db2.gz AYMYOVSEVHFXER-UHFFFAOYSA-N 1 1 340.393 3.529 20 30 EHEDMO C=CC[C@H]1N(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CCCC1(C)C ZINC000445211601 1028620047 /nfs/dbraw/zinc/62/00/47/1028620047.db2.gz KQFKURFLGYNULF-ZWKOTPCHSA-N 1 1 335.536 3.741 20 30 EHEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2cc(C)ccn2)no1 ZINC001211975321 1028718747 /nfs/dbraw/zinc/71/87/47/1028718747.db2.gz DANYRYUHFRXQJE-WBVHZDCISA-N 1 1 344.459 3.518 20 30 EHEDMO C[N@@H+](CCCSCC#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245496513 1028740087 /nfs/dbraw/zinc/74/00/87/1028740087.db2.gz RNSPYVKGCYMELQ-HUUCEWRRSA-N 1 1 345.295 3.530 20 30 EHEDMO C[C@H]1C[C@H](NCc2ccc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000268910773 1028745581 /nfs/dbraw/zinc/74/55/81/1028745581.db2.gz TYUINRZGFIZZLJ-OXJNMPFZSA-N 1 1 337.442 3.840 20 30 EHEDMO C=C(C)[C@H](CC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)OCC ZINC000535928713 1028799676 /nfs/dbraw/zinc/79/96/76/1028799676.db2.gz IXPMOWNHWKKQSK-MOPGFXCFSA-N 1 1 336.520 3.519 20 30 EHEDMO N#Cc1ccc(CN2CCC([NH2+][C@@H]3C[C@]3(F)c3ccccc3)CC2)cc1 ZINC000424181905 1028856143 /nfs/dbraw/zinc/85/61/43/1028856143.db2.gz DZEYSOJBFRHZIS-YADHBBJMSA-N 1 1 349.453 3.750 20 30 EHEDMO C=CCn1cc(C[NH2+][C@H](c2ccc(C(F)(F)F)cc2)C(C)C)nn1 ZINC000424294388 1028936549 /nfs/dbraw/zinc/93/65/49/1028936549.db2.gz KUOIABJTIFUETC-INIZCTEOSA-N 1 1 338.377 3.970 20 30 EHEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000548788309 1028959392 /nfs/dbraw/zinc/95/93/92/1028959392.db2.gz HIEVUQOJTZVHJN-QGZVFWFLSA-N 1 1 331.419 3.822 20 30 EHEDMO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)s1 ZINC000076342374 1028967328 /nfs/dbraw/zinc/96/73/28/1028967328.db2.gz XNJKZYVULLMIGE-MRXNPFEDSA-N 1 1 341.480 3.824 20 30 EHEDMO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)s1 ZINC000076342374 1028967333 /nfs/dbraw/zinc/96/73/33/1028967333.db2.gz XNJKZYVULLMIGE-MRXNPFEDSA-N 1 1 341.480 3.824 20 30 EHEDMO COc1cc(C[NH2+]Cc2c(F)cccc2OC(F)F)ccc1C#N ZINC000440820170 1028999259 /nfs/dbraw/zinc/99/92/59/1028999259.db2.gz FJPHRTAFXDKMCW-UHFFFAOYSA-N 1 1 336.313 3.597 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000250214106 1029045270 /nfs/dbraw/zinc/04/52/70/1029045270.db2.gz ROHCJZFAHXWLFP-UYAOXDASSA-N 1 1 347.462 3.811 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1C2CCC1CC2 ZINC000532915940 1029064858 /nfs/dbraw/zinc/06/48/58/1029064858.db2.gz TWELEHLFLNSLBD-WLYUNCDWSA-N 1 1 329.469 3.646 20 30 EHEDMO C[C@@H](C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000532942480 1029080589 /nfs/dbraw/zinc/08/05/89/1029080589.db2.gz GISLGVRWLRDLEC-AWEZNQCLSA-N 1 1 341.842 3.886 20 30 EHEDMO C=CCCCCC[N@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000532967255 1029114243 /nfs/dbraw/zinc/11/42/43/1029114243.db2.gz PJAZAKGRFAMJDS-HNNXBMFYSA-N 1 1 339.277 3.654 20 30 EHEDMO C=C[C@H](CC(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)c1ccccc1 ZINC000154386192 1029145105 /nfs/dbraw/zinc/14/51/05/1029145105.db2.gz JNBVOCCFGGYDGV-MRXNPFEDSA-N 1 1 332.407 3.874 20 30 EHEDMO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cs1 ZINC000271869314 1029207797 /nfs/dbraw/zinc/20/77/97/1029207797.db2.gz VSCDMEXYVRSIQM-STQMWFEESA-N 1 1 331.441 3.604 20 30 EHEDMO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000445886991 1029209091 /nfs/dbraw/zinc/20/90/91/1029209091.db2.gz FADRUQLXZKIOQI-CYBMUJFWSA-N 1 1 338.333 3.675 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)cc1 ZINC000245741715 1029224475 /nfs/dbraw/zinc/22/44/75/1029224475.db2.gz LZNQMBGEOIAXHB-UTKZUKDTSA-N 1 1 336.435 3.725 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)cc1 ZINC000245741715 1029224495 /nfs/dbraw/zinc/22/44/95/1029224495.db2.gz LZNQMBGEOIAXHB-UTKZUKDTSA-N 1 1 336.435 3.725 20 30 EHEDMO C=CCC1(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)CCOCC1 ZINC000424663041 1029226353 /nfs/dbraw/zinc/22/63/53/1029226353.db2.gz JXYNBBGZZMZJLV-UHFFFAOYSA-N 1 1 344.499 3.516 20 30 EHEDMO C=CCOc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000505318134 1029463339 /nfs/dbraw/zinc/46/33/39/1029463339.db2.gz BIXYENARNKTUEM-UHFFFAOYSA-N 1 1 338.451 3.582 20 30 EHEDMO CCO[C@H]1C[C@H]([N@@H+](C)CCCOc2cccc(C#N)c2)C12CCC2 ZINC001167665117 1029555984 /nfs/dbraw/zinc/55/59/84/1029555984.db2.gz XATAAYCDMIRBMA-OALUTQOASA-N 1 1 328.456 3.607 20 30 EHEDMO N#Cc1ccc(C[N@@H+](CCCO)Cc2cccc(Cl)c2)cc1F ZINC000192118472 1029593032 /nfs/dbraw/zinc/59/30/32/1029593032.db2.gz MOTMJQJTPNTHPQ-UHFFFAOYSA-N 1 1 332.806 3.735 20 30 EHEDMO N#CCC[C@@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000583331079 1029664646 /nfs/dbraw/zinc/66/46/46/1029664646.db2.gz SELZXUPSPDQAEX-NHCUHLMSSA-N 1 1 347.462 3.670 20 30 EHEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(OC)c(OC)c1 ZINC000282065770 1029714931 /nfs/dbraw/zinc/71/49/31/1029714931.db2.gz SLGAGNNVLPRVQK-UHFFFAOYSA-N 1 1 346.471 3.626 20 30 EHEDMO Fc1ccc(C#CCN2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000446766054 1029787804 /nfs/dbraw/zinc/78/78/04/1029787804.db2.gz QUIMXUSPEXISNS-UHFFFAOYSA-N 1 1 328.475 3.765 20 30 EHEDMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000090004098 1030056523 /nfs/dbraw/zinc/05/65/23/1030056523.db2.gz IPXPHXZPKYDXFU-QGZVFWFLSA-N 1 1 336.483 3.676 20 30 EHEDMO C=CCC[C@H](NC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)c1ccccc1 ZINC000458577426 1030057645 /nfs/dbraw/zinc/05/76/45/1030057645.db2.gz ORVRUICHIHGFRK-XLIONFOSSA-N 1 1 341.499 3.820 20 30 EHEDMO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)Nc1cccc(C#N)c1 ZINC000159415882 1030178922 /nfs/dbraw/zinc/17/89/22/1030178922.db2.gz MMIDKIAQDLENIL-RYUDHWBXSA-N 1 1 329.350 3.514 20 30 EHEDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000278350970 1030312144 /nfs/dbraw/zinc/31/21/44/1030312144.db2.gz ZABKZLDEYFITGW-IAOVAPTHSA-N 1 1 328.847 3.835 20 30 EHEDMO CC[N@@H+]1CCO[C@H](CNc2cccc(F)c2C#N)[C@@H]1c1ccccc1 ZINC000343331191 1030325742 /nfs/dbraw/zinc/32/57/42/1030325742.db2.gz CDCYQRWGABNTOR-UXHICEINSA-N 1 1 339.414 3.571 20 30 EHEDMO CC[N@H+]1CCO[C@H](CNc2cccc(F)c2C#N)[C@@H]1c1ccccc1 ZINC000343331191 1030325757 /nfs/dbraw/zinc/32/57/57/1030325757.db2.gz CDCYQRWGABNTOR-UXHICEINSA-N 1 1 339.414 3.571 20 30 EHEDMO CC[C@H](C)C[N@@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000532098088 1030396384 /nfs/dbraw/zinc/39/63/84/1030396384.db2.gz IMJCZVBAFWGAHH-AWEZNQCLSA-N 1 1 335.879 3.873 20 30 EHEDMO CC(C)c1ccc2ncc(C#N)c(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000447691573 1030425551 /nfs/dbraw/zinc/42/55/51/1030425551.db2.gz SYSOTVLYVZFABP-ZWKOTPCHSA-N 1 1 334.467 3.690 20 30 EHEDMO CC(C)(C)c1ccc([C@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCC2)cc1 ZINC000526135775 1030438931 /nfs/dbraw/zinc/43/89/31/1030438931.db2.gz RGMMXRPHTWKBLD-GOSISDBHSA-N 1 1 339.483 3.683 20 30 EHEDMO N#Cc1c(F)cccc1N1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000482835433 1030744617 /nfs/dbraw/zinc/74/46/17/1030744617.db2.gz LAIIGXHELXCEEL-FQEVSTJZSA-N 1 1 339.389 3.646 20 30 EHEDMO N#Cc1c(F)cccc1N1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000482835434 1030744783 /nfs/dbraw/zinc/74/47/83/1030744783.db2.gz LAIIGXHELXCEEL-HXUWFJFHSA-N 1 1 339.389 3.646 20 30 EHEDMO COCC[N@H+](Cc1scnc1C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000618767527 1030761561 /nfs/dbraw/zinc/76/15/61/1030761561.db2.gz ITBPPPKSQIMREK-UHFFFAOYSA-N 1 1 343.496 3.901 20 30 EHEDMO COCC[N@@H+](Cc1scnc1C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000618767527 1030761576 /nfs/dbraw/zinc/76/15/76/1030761576.db2.gz ITBPPPKSQIMREK-UHFFFAOYSA-N 1 1 343.496 3.901 20 30 EHEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H]1C ZINC000482870787 1030771734 /nfs/dbraw/zinc/77/17/34/1030771734.db2.gz VVTBJMQRBOBMCP-KGLIPLIRSA-N 1 1 345.512 3.948 20 30 EHEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)[C@H]1C ZINC000482890072 1030786222 /nfs/dbraw/zinc/78/62/22/1030786222.db2.gz VKTWEIIWTNMORF-RDBSUJKOSA-N 1 1 345.512 3.803 20 30 EHEDMO O=C(NC1CCOCC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329475262 1030873657 /nfs/dbraw/zinc/87/36/57/1030873657.db2.gz OYWYQKJKGRSZRG-OAHLLOKOSA-N 1 1 331.460 3.629 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483105675 1030969728 /nfs/dbraw/zinc/96/97/28/1030969728.db2.gz MAZXQYXQLYPEOP-QGZVFWFLSA-N 1 1 340.398 3.574 20 30 EHEDMO C[N@H+](C[C@H](C#N)CCC#N)CC1(c2ccc(Br)cc2)CC1 ZINC000158099316 1031015281 /nfs/dbraw/zinc/01/52/81/1031015281.db2.gz BJYLKSBAJHDGCV-AWEZNQCLSA-N 1 1 346.272 3.856 20 30 EHEDMO C[N@@H+](C[C@H](C#N)CCC#N)CC1(c2ccc(Br)cc2)CC1 ZINC000158099316 1031015297 /nfs/dbraw/zinc/01/52/97/1031015297.db2.gz BJYLKSBAJHDGCV-AWEZNQCLSA-N 1 1 346.272 3.856 20 30 EHEDMO Cc1ccnc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1C#N ZINC000343510816 1031188024 /nfs/dbraw/zinc/18/80/24/1031188024.db2.gz LPKWGXXZEHPXSN-DLBZAZTESA-N 1 1 326.831 3.772 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCN(Cc3cccc(C(F)F)c3)CC2)cc1 ZINC000347969386 1031290292 /nfs/dbraw/zinc/29/02/92/1031290292.db2.gz LGMHIIZNCFKSJL-UHFFFAOYSA-N 1 1 341.405 3.814 20 30 EHEDMO C(#Cc1ccccc1)C[N@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000483714263 1031293423 /nfs/dbraw/zinc/29/34/23/1031293423.db2.gz ULIDEOSSTUIZMD-UHFFFAOYSA-N 1 1 349.474 3.988 20 30 EHEDMO N#Cc1cccc(OCCC[N@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000477166724 1031307886 /nfs/dbraw/zinc/30/78/86/1031307886.db2.gz QBGKNIXVMVETPR-UHFFFAOYSA-N 1 1 335.451 3.539 20 30 EHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1[C@@H](CC)c1ccccc1 ZINC000477281886 1031411063 /nfs/dbraw/zinc/41/10/63/1031411063.db2.gz XOGHEWOPMNEZOI-PMACEKPBSA-N 1 1 326.484 3.845 20 30 EHEDMO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000484352947 1031550871 /nfs/dbraw/zinc/55/08/71/1031550871.db2.gz MKDMMHCHDOEIPB-QGZVFWFLSA-N 1 1 328.456 3.794 20 30 EHEDMO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000484352947 1031550884 /nfs/dbraw/zinc/55/08/84/1031550884.db2.gz MKDMMHCHDOEIPB-QGZVFWFLSA-N 1 1 328.456 3.794 20 30 EHEDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000343704934 1032010491 /nfs/dbraw/zinc/01/04/91/1032010491.db2.gz HKVKRBAEBKHYOY-CVEARBPZSA-N 1 1 333.451 3.829 20 30 EHEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)cc1 ZINC000343707325 1032029426 /nfs/dbraw/zinc/02/94/26/1032029426.db2.gz HSSSBECWUKPVNN-IBGZPJMESA-N 1 1 330.435 3.767 20 30 EHEDMO C[C@@H]1[C@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[N@H+]1C ZINC000592762378 1033392202 /nfs/dbraw/zinc/39/22/02/1033392202.db2.gz KXPWRCCBVRRJDO-AUUYWEPGSA-N 1 1 335.407 3.629 20 30 EHEDMO C[C@H]([NH2+]C1(CNC[C@H](O)CC(C)(C)C#N)CCCC1)c1ccccc1 ZINC000598720293 1033414125 /nfs/dbraw/zinc/41/41/25/1033414125.db2.gz NZTQTDHCJVTOMD-PKOBYXMFSA-N 1 1 343.515 3.540 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)n1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1 ZINC000603231790 1033454043 /nfs/dbraw/zinc/45/40/43/1033454043.db2.gz CEQVSENVQLONCJ-QVKFZJNVSA-N 1 1 343.434 3.536 20 30 EHEDMO COc1ccccc1OCC[N@@H+](C)CC#Cc1ccccc1Cl ZINC000441180758 1033498817 /nfs/dbraw/zinc/49/88/17/1033498817.db2.gz ZSAXBNUDZFNZBH-UHFFFAOYSA-N 1 1 329.827 3.711 20 30 EHEDMO CN(CCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1)Cc1ccccc1 ZINC000594917809 1033543635 /nfs/dbraw/zinc/54/36/35/1033543635.db2.gz KOBSBQQGCFKGKM-UHFFFAOYSA-N 1 1 333.479 3.853 20 30 EHEDMO C=C(C)Cn1c([C@H](C)CC)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460368049 1033568320 /nfs/dbraw/zinc/56/83/20/1033568320.db2.gz DNGRMQYAXQSREN-ZACQAIPSSA-N 1 1 333.524 3.534 20 30 EHEDMO N#CCCCOc1cccc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000594978820 1033584155 /nfs/dbraw/zinc/58/41/55/1033584155.db2.gz WTQHFCPDMNFXGJ-IBGZPJMESA-N 1 1 341.499 3.866 20 30 EHEDMO N#CCCCOc1cccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)c1 ZINC000594978820 1033584159 /nfs/dbraw/zinc/58/41/59/1033584159.db2.gz WTQHFCPDMNFXGJ-IBGZPJMESA-N 1 1 341.499 3.866 20 30 EHEDMO CC(C)C[N@@H+](C)CCCNCc1ccc(C#N)cc1C(F)(F)F ZINC000593646717 1033606056 /nfs/dbraw/zinc/60/60/56/1033606056.db2.gz PQFRFAVVZVIWSL-UHFFFAOYSA-N 1 1 327.394 3.645 20 30 EHEDMO COCC[N@@H+](CCCOc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000063754241 1033668929 /nfs/dbraw/zinc/66/89/29/1033668929.db2.gz QCRRNZOSZGYLNR-UHFFFAOYSA-N 1 1 342.414 3.615 20 30 EHEDMO Cc1csc([C@@H](C)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000599056303 1033696519 /nfs/dbraw/zinc/69/65/19/1033696519.db2.gz WPVRLKPMIOUCMF-OAHLLOKOSA-N 1 1 340.496 3.638 20 30 EHEDMO C[C@@H](NCC1(C#N)CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595091332 1033701901 /nfs/dbraw/zinc/70/19/01/1033701901.db2.gz PKDXHCJPCCAHBT-UYAOXDASSA-N 1 1 325.500 3.961 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnc2ccccc2n1 ZINC000595333504 1033731794 /nfs/dbraw/zinc/73/17/94/1033731794.db2.gz JKENPGJCMYCKJY-NQIIRXRSSA-N 1 1 328.419 3.902 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnc2ccccc2n1 ZINC000595333504 1033731809 /nfs/dbraw/zinc/73/18/09/1033731809.db2.gz JKENPGJCMYCKJY-NQIIRXRSSA-N 1 1 328.419 3.902 20 30 EHEDMO N#Cc1ccc(CC[N@H+]2CCc3sc(Br)cc3C2)cc1 ZINC000595396928 1033777964 /nfs/dbraw/zinc/77/79/64/1033777964.db2.gz ZVDUYQZKYXDYRZ-UHFFFAOYSA-N 1 1 347.281 3.983 20 30 EHEDMO N#Cc1ccc(CC[N@@H+]2CCc3sc(Br)cc3C2)cc1 ZINC000595396928 1033777987 /nfs/dbraw/zinc/77/79/87/1033777987.db2.gz ZVDUYQZKYXDYRZ-UHFFFAOYSA-N 1 1 347.281 3.983 20 30 EHEDMO COc1ccccc1O[C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595484696 1033808004 /nfs/dbraw/zinc/80/80/04/1033808004.db2.gz RMHJEOQYDFNEGJ-LJQANCHMSA-N 1 1 336.435 3.653 20 30 EHEDMO C[C@@H](CO)[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CCCC1 ZINC000595449397 1033814330 /nfs/dbraw/zinc/81/43/30/1033814330.db2.gz ARKCBKUAMZTMBZ-LBPRGKRZSA-N 1 1 326.362 3.702 20 30 EHEDMO COc1cccc([C@@H]2[C@H](N[C@@H](C#N)c3ccccc3)CC[N@@H+]2C2CC2)c1 ZINC000595476767 1033823895 /nfs/dbraw/zinc/82/38/95/1033823895.db2.gz PACDLABOCKBSMI-BHIFYINESA-N 1 1 347.462 3.827 20 30 EHEDMO COc1cccc([C@@H]2[C@H](N[C@@H](C#N)c3ccccc3)CC[N@H+]2C2CC2)c1 ZINC000595476767 1033823907 /nfs/dbraw/zinc/82/39/07/1033823907.db2.gz PACDLABOCKBSMI-BHIFYINESA-N 1 1 347.462 3.827 20 30 EHEDMO N#Cc1ccc(CC[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1 ZINC000595490651 1033829096 /nfs/dbraw/zinc/82/90/96/1033829096.db2.gz GLDLPSUSWOAGGR-VSKRKVRLSA-N 1 1 332.447 3.605 20 30 EHEDMO C=CCC1(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)CCCCC1 ZINC000450180536 1033862112 /nfs/dbraw/zinc/86/21/12/1033862112.db2.gz JPAKTLITQISJFP-UHFFFAOYSA-N 1 1 329.488 3.728 20 30 EHEDMO CC[C@@H](C[N@@H+](CC)C[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1 ZINC000599371003 1033892621 /nfs/dbraw/zinc/89/26/21/1033892621.db2.gz IUAGMHQUFCMOLC-ICSRJNTNSA-N 1 1 344.499 3.573 20 30 EHEDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000595628150 1033906723 /nfs/dbraw/zinc/90/67/23/1033906723.db2.gz VXKYPLXKDITUAR-KGLIPLIRSA-N 1 1 346.393 3.524 20 30 EHEDMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1)c1cccc2ccccc21 ZINC000595610493 1033920852 /nfs/dbraw/zinc/92/08/52/1033920852.db2.gz ZRYZCRSOMTWEJV-IAGOWNOFSA-N 1 1 335.451 3.643 20 30 EHEDMO C[C@@H](NC(=O)C[N@H+]1CCC[C@H](CC#N)C1)c1cccc2ccccc21 ZINC000595610493 1033920861 /nfs/dbraw/zinc/92/08/61/1033920861.db2.gz ZRYZCRSOMTWEJV-IAGOWNOFSA-N 1 1 335.451 3.643 20 30 EHEDMO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1)c1ccc2ccccc2c1 ZINC000595610308 1033921148 /nfs/dbraw/zinc/92/11/48/1033921148.db2.gz WDKSLWKQEMOLRS-IRXDYDNUSA-N 1 1 335.451 3.643 20 30 EHEDMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1)c1ccc2ccccc2c1 ZINC000595610308 1033921160 /nfs/dbraw/zinc/92/11/60/1033921160.db2.gz WDKSLWKQEMOLRS-IRXDYDNUSA-N 1 1 335.451 3.643 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C3CCC3)CC2)c(C#N)c1C ZINC000595661328 1033939626 /nfs/dbraw/zinc/93/96/26/1033939626.db2.gz YPUQHTFEGIYHKZ-CYBMUJFWSA-N 1 1 329.444 3.607 20 30 EHEDMO C=CC[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000595659125 1033939987 /nfs/dbraw/zinc/93/99/87/1033939987.db2.gz KSJLRDSIKRWZKY-AWEZNQCLSA-N 1 1 343.496 3.725 20 30 EHEDMO N#Cc1cccc(C2([NH2+]Cc3nsc4ccccc34)CCOCC2)c1 ZINC000595770245 1033972128 /nfs/dbraw/zinc/97/21/28/1033972128.db2.gz WSYTYICPNPYSAT-UHFFFAOYSA-N 1 1 349.459 3.963 20 30 EHEDMO N#CC1(CC[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)CCCCC1 ZINC000595746526 1033979468 /nfs/dbraw/zinc/97/94/68/1033979468.db2.gz BJAFRQOEYAQMDV-VQTJNVASSA-N 1 1 326.484 3.949 20 30 EHEDMO C[C@]12COC[C@@H]1C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C2 ZINC000595755832 1033985144 /nfs/dbraw/zinc/98/51/44/1033985144.db2.gz DNJUXYMYWHEEHB-VXKWHMMOSA-N 1 1 346.474 3.855 20 30 EHEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000599526800 1033986919 /nfs/dbraw/zinc/98/69/19/1033986919.db2.gz SUHVQHFJLFGPSP-JKSUJKDBSA-N 1 1 343.496 3.917 20 30 EHEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000599526797 1033987376 /nfs/dbraw/zinc/98/73/76/1033987376.db2.gz SUHVQHFJLFGPSP-CVEARBPZSA-N 1 1 343.496 3.917 20 30 EHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450272330 1033992853 /nfs/dbraw/zinc/99/28/53/1033992853.db2.gz BFDGFSTWHCVNTG-WMLDXEAASA-N 1 1 336.395 3.714 20 30 EHEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2CCc2ccccc2)c1 ZINC000603895469 1034016894 /nfs/dbraw/zinc/01/68/94/1034016894.db2.gz DJAOWXGEQOHSCA-FQEVSTJZSA-N 1 1 333.435 3.594 20 30 EHEDMO Cc1cc(C#N)cc(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000456007641 1034020740 /nfs/dbraw/zinc/02/07/40/1034020740.db2.gz RUVIWAGHFJSIHE-HNNXBMFYSA-N 1 1 328.460 3.500 20 30 EHEDMO N#Cc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c(C(F)(F)F)c1 ZINC000595895331 1034022894 /nfs/dbraw/zinc/02/28/94/1034022894.db2.gz IXYDIKLBYBKEBM-QGZVFWFLSA-N 1 1 337.389 3.541 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c(OC(F)F)c1 ZINC000595909719 1034028402 /nfs/dbraw/zinc/02/84/02/1034028402.db2.gz MWOSXXIMMFDZOD-KDURUIRLSA-N 1 1 348.393 3.552 20 30 EHEDMO N#CCCCOc1cccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000596059587 1034056897 /nfs/dbraw/zinc/05/68/97/1034056897.db2.gz RLUQETPZYNQOQP-FQEVSTJZSA-N 1 1 341.499 3.581 20 30 EHEDMO N#CCCCOc1cccc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000596059587 1034056912 /nfs/dbraw/zinc/05/69/12/1034056912.db2.gz RLUQETPZYNQOQP-FQEVSTJZSA-N 1 1 341.499 3.581 20 30 EHEDMO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000599700499 1034101720 /nfs/dbraw/zinc/10/17/20/1034101720.db2.gz HFEVFCMIGNXZTO-NRFANRHFSA-N 1 1 347.462 3.716 20 30 EHEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2cc(C#N)ccc2OC)cc1 ZINC000534179336 1034214285 /nfs/dbraw/zinc/21/42/85/1034214285.db2.gz BRENHANFFZOCJD-MRXNPFEDSA-N 1 1 338.451 3.886 20 30 EHEDMO C=C(C)COc1cc(C[NH2+]C2CCN(CCC)CC2)ccc1OC ZINC000057959855 1034268885 /nfs/dbraw/zinc/26/88/85/1034268885.db2.gz ZGZKKJQGLXFAKD-UHFFFAOYSA-N 1 1 332.488 3.614 20 30 EHEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1ccc2c(c1)OCCO2 ZINC000596980962 1034479682 /nfs/dbraw/zinc/47/96/82/1034479682.db2.gz YEVYXIZYEYLJLB-UHFFFAOYSA-N 1 1 334.419 3.645 20 30 EHEDMO CCC[N@@H+](CC1(C#N)CCC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000450551215 1034530900 /nfs/dbraw/zinc/53/09/00/1034530900.db2.gz NHCRCNNHLPMNMH-UHFFFAOYSA-N 1 1 339.483 3.697 20 30 EHEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597111950 1034543247 /nfs/dbraw/zinc/54/32/47/1034543247.db2.gz WZRIJRLUMRTZQX-NRFANRHFSA-N 1 1 334.463 3.931 20 30 EHEDMO C=CC[C@H](C)NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000604880331 1034543829 /nfs/dbraw/zinc/54/38/29/1034543829.db2.gz XKDUHJZENPYSPN-YOEHRIQHSA-N 1 1 340.389 3.522 20 30 EHEDMO N#CC1(c2ccc(C[N@H+]3CCC4(C3)Oc3ccccc3O4)cc2)CC1 ZINC000597132337 1034554167 /nfs/dbraw/zinc/55/41/67/1034554167.db2.gz HAMXAUQDGJIWGX-UHFFFAOYSA-N 1 1 332.403 3.615 20 30 EHEDMO CCc1ccc(C)nc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000597184163 1034588974 /nfs/dbraw/zinc/58/89/74/1034588974.db2.gz LUKNQDLJXKFATQ-UHFFFAOYSA-N 1 1 334.467 3.901 20 30 EHEDMO COC(=O)c1cccc(C[NH2+][C@H](c2ncccc2C)C(C)C)c1C#N ZINC000534470877 1034595593 /nfs/dbraw/zinc/59/55/93/1034595593.db2.gz PGLPVIYCDJBEEE-SFHVURJKSA-N 1 1 337.423 3.535 20 30 EHEDMO CC(C)(CCC#N)C[N@@H+]1CCOc2cc(Br)ccc2C1 ZINC000597236728 1034616313 /nfs/dbraw/zinc/61/63/13/1034616313.db2.gz XQOSHHBVBXFHPW-UHFFFAOYSA-N 1 1 337.261 3.973 20 30 EHEDMO CC(C)(CCC#N)C[N@H+]1CCOc2cc(Br)ccc2C1 ZINC000597236728 1034616318 /nfs/dbraw/zinc/61/63/18/1034616318.db2.gz XQOSHHBVBXFHPW-UHFFFAOYSA-N 1 1 337.261 3.973 20 30 EHEDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2ccccc2CC#N)CCC1 ZINC000601610454 1034639274 /nfs/dbraw/zinc/63/92/74/1034639274.db2.gz DNTQWLDBKPEUAN-UHFFFAOYSA-N 1 1 347.462 3.537 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)cc1)C(C)C ZINC000601813556 1034747187 /nfs/dbraw/zinc/74/71/87/1034747187.db2.gz UYUVOXPEJBGHGY-RTBURBONSA-N 1 1 327.472 3.681 20 30 EHEDMO N#Cc1cccc(CN2CCC(CCC[NH+]3CCCC3)CC2)c1F ZINC000340883125 1035000444 /nfs/dbraw/zinc/00/04/44/1035000444.db2.gz NTWSAUFBIITWQW-UHFFFAOYSA-N 1 1 329.463 3.785 20 30 EHEDMO C=C(C)C[N@@H+](CCCC(=O)c1ccccc1)Cc1ccc(CO)o1 ZINC000450983578 1035012348 /nfs/dbraw/zinc/01/23/48/1035012348.db2.gz RKVWPWJZHYDRCT-UHFFFAOYSA-N 1 1 327.424 3.813 20 30 EHEDMO CCOc1cc(C[NH2+]CC(C)(C)C#N)ccc1OCC(F)(F)F ZINC000612588089 1035081829 /nfs/dbraw/zinc/08/18/29/1035081829.db2.gz POTMWICIDHKXST-UHFFFAOYSA-N 1 1 330.350 3.666 20 30 EHEDMO Cc1c(C#N)cccc1NC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000431725782 1035373984 /nfs/dbraw/zinc/37/39/84/1035373984.db2.gz OHRLXTULUZXITL-VQIMIIECSA-N 1 1 348.450 3.824 20 30 EHEDMO C=CCOc1ccc(C[N@H+](CC[C@@H]2CCOC2=O)C(C)(C)C)cc1 ZINC000177848943 1035414734 /nfs/dbraw/zinc/41/47/34/1035414734.db2.gz UDXLXKFJWFFJMN-QGZVFWFLSA-N 1 1 331.456 3.805 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3c(Cl)cc(Cl)cc3C2)cc1 ZINC000164290934 1035514822 /nfs/dbraw/zinc/51/48/22/1035514822.db2.gz QVQOINVXKGTTEA-SFHVURJKSA-N 1 1 347.245 3.957 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3c(Cl)cc(Cl)cc3C2)cc1 ZINC000164290934 1035514834 /nfs/dbraw/zinc/51/48/34/1035514834.db2.gz QVQOINVXKGTTEA-SFHVURJKSA-N 1 1 347.245 3.957 20 30 EHEDMO CCC(CC)[N@@H+](CC)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000571559729 1035556906 /nfs/dbraw/zinc/55/69/06/1035556906.db2.gz VKCULGQGKBWEHI-UHFFFAOYSA-N 1 1 333.501 3.948 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000463665430 1035725061 /nfs/dbraw/zinc/72/50/61/1035725061.db2.gz QVONJQHDMFVEAE-RDTXWAMCSA-N 1 1 336.395 3.714 20 30 EHEDMO COC(=O)c1sc2cccc(F)c2c1C[NH+]1CCC(CC#N)CC1 ZINC000541021889 1035919877 /nfs/dbraw/zinc/91/98/77/1035919877.db2.gz TYFSLUHYIXVNIS-UHFFFAOYSA-N 1 1 346.427 3.953 20 30 EHEDMO Cc1nc2c(cccc2C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000329966375 1035997673 /nfs/dbraw/zinc/99/76/73/1035997673.db2.gz VNEMNHOVOSCUFO-HZSPNIEDSA-N 1 1 329.444 3.807 20 30 EHEDMO Cc1cc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)ncc1C#N ZINC000457464101 1036129993 /nfs/dbraw/zinc/12/99/93/1036129993.db2.gz QTVLYEQOCKTYEN-INIZCTEOSA-N 1 1 348.450 3.888 20 30 EHEDMO Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1C#N ZINC000443978750 1036151058 /nfs/dbraw/zinc/15/10/58/1036151058.db2.gz LQJDVLYVTODQIX-SFHVURJKSA-N 1 1 339.508 3.930 20 30 EHEDMO C[C@H](CN=Cc1cc2ccccc2[nH]c1=O)[N@H+]1CCc2ccccc2C1 ZINC000129663682 1036212748 /nfs/dbraw/zinc/21/27/48/1036212748.db2.gz YUZSDZOBEKFMBI-BRABVMKYSA-N 1 1 345.446 3.806 20 30 EHEDMO N#CC1(c2ccccn2)CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000589178294 1036276148 /nfs/dbraw/zinc/27/61/48/1036276148.db2.gz VPIUIMMIZRRDEG-ARJAWSKDSA-N 1 1 339.389 3.930 20 30 EHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000535383212 1036426366 /nfs/dbraw/zinc/42/63/66/1036426366.db2.gz QMNSKVRBVOMPAO-INIZCTEOSA-N 1 1 339.483 3.511 20 30 EHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000535383212 1036426378 /nfs/dbraw/zinc/42/63/78/1036426378.db2.gz QMNSKVRBVOMPAO-INIZCTEOSA-N 1 1 339.483 3.511 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C#N)cc1F ZINC000398046446 1036503945 /nfs/dbraw/zinc/50/39/45/1036503945.db2.gz VWBDRCQMGFVZDP-IERDGZPVSA-N 1 1 337.442 3.698 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000398046446 1036503955 /nfs/dbraw/zinc/50/39/55/1036503955.db2.gz VWBDRCQMGFVZDP-IERDGZPVSA-N 1 1 337.442 3.698 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccs1 ZINC000054425184 1036561148 /nfs/dbraw/zinc/56/11/48/1036561148.db2.gz NFFXDTFJJGHBFV-UHFFFAOYSA-N 1 1 345.493 3.631 20 30 EHEDMO Cc1ccc(C#N)c(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000310861881 1036629148 /nfs/dbraw/zinc/62/91/48/1036629148.db2.gz RSBKBKZOTRQLKQ-SLFFLAALSA-N 1 1 332.451 3.584 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000176002134 1036678277 /nfs/dbraw/zinc/67/82/77/1036678277.db2.gz ZTOZLLLCSNRKJN-GOSISDBHSA-N 1 1 345.487 3.980 20 30 EHEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000589954638 1036678951 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20 30 EHEDMO C=CCOc1ccc(CNCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000060978599 1036977738 /nfs/dbraw/zinc/97/77/38/1036977738.db2.gz AQPVSHVOLVIEAI-HDICACEKSA-N 1 1 346.515 3.718 20 30 EHEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000054428221 1037004627 /nfs/dbraw/zinc/00/46/27/1037004627.db2.gz BYAJSHPCCVMYQA-QGZVFWFLSA-N 1 1 339.464 3.958 20 30 EHEDMO N#Cc1cccc(COc2cccc(C[NH+]3CC(C(F)F)C3)c2)c1 ZINC000590968776 1037147647 /nfs/dbraw/zinc/14/76/47/1037147647.db2.gz KHQHLOOBJZHHAH-UHFFFAOYSA-N 1 1 328.362 3.834 20 30 EHEDMO CN(CC1CCCCC1)C(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000542322867 1037300274 /nfs/dbraw/zinc/30/02/74/1037300274.db2.gz OPDYHNVBOHUAFL-UHFFFAOYSA-N 1 1 339.483 3.561 20 30 EHEDMO CN(CC1CCCCC1)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000542322867 1037300290 /nfs/dbraw/zinc/30/02/90/1037300290.db2.gz OPDYHNVBOHUAFL-UHFFFAOYSA-N 1 1 339.483 3.561 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)ccc1OC ZINC000539900209 1037341603 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C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC000490139430 1040367771 /nfs/dbraw/zinc/36/77/71/1040367771.db2.gz KPWRLCJHDHSUKE-ZDUSSCGKSA-N 1 1 326.371 3.757 20 30 EHEDMO C[C@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000487049572 1040681291 /nfs/dbraw/zinc/68/12/91/1040681291.db2.gz UDDBIFPPCOENDY-VWKPWSFCSA-N 1 1 347.462 3.600 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H](c1ccccc1Cl)C(C)C ZINC000500216416 1040730843 /nfs/dbraw/zinc/73/08/43/1040730843.db2.gz VUFMLOJZBKDENG-BEFAXECRSA-N 1 1 349.906 3.977 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H](c1ccccc1Cl)C(C)C ZINC000500216416 1040730858 /nfs/dbraw/zinc/73/08/58/1040730858.db2.gz VUFMLOJZBKDENG-BEFAXECRSA-N 1 1 349.906 3.977 20 30 EHEDMO N#CCc1cccc2c1CC[N@@H+](Cc1c[nH]nc1-c1cccs1)C2 ZINC000600214950 1040853288 /nfs/dbraw/zinc/85/32/88/1040853288.db2.gz WCCSVWSSHXNVDQ-UHFFFAOYSA-N 1 1 334.448 3.763 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCCNc1cnc(C#N)c(C(F)(F)F)c1 ZINC001167753779 1040859454 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EHEDMO C=CCOCC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000559144894 1041245376 /nfs/dbraw/zinc/24/53/76/1041245376.db2.gz ZJFKQQIXLFUYHR-UHFFFAOYSA-N 1 1 344.377 3.557 20 30 EHEDMO COC1(C(F)(F)F)CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000419342898 1041431570 /nfs/dbraw/zinc/43/15/70/1041431570.db2.gz BOWCBKWHCLNHMY-UHFFFAOYSA-N 1 1 332.753 3.755 20 30 EHEDMO CCCCCCCS(=O)(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000195449046 1041438040 /nfs/dbraw/zinc/43/80/40/1041438040.db2.gz YMRDLZHGTBDDEM-DLBZAZTESA-N 1 1 344.565 3.529 20 30 EHEDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458811222 1041602458 /nfs/dbraw/zinc/60/24/58/1041602458.db2.gz BMDXASGLIOIGIG-MOPGFXCFSA-N 1 1 342.487 3.547 20 30 EHEDMO C=CC[C@@H](C)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000660681964 1041771578 /nfs/dbraw/zinc/77/15/78/1041771578.db2.gz YYMKPBWWLBCRSE-MJGOQNOKSA-N 1 1 341.499 3.553 20 30 EHEDMO N#Cc1ccc2ncc(C[N@@H+]3CC[C@H](c4ccc(Cl)cc4)C3)n2c1 ZINC000125374736 1041977612 /nfs/dbraw/zinc/97/76/12/1041977612.db2.gz YRSLMMNHNJQBDA-INIZCTEOSA-N 1 1 336.826 3.849 20 30 EHEDMO C[C@H](CNCc1cccc(OCCCC#N)c1)[NH+]1CCC(C)CC1 ZINC000236725702 1042093279 /nfs/dbraw/zinc/09/32/79/1042093279.db2.gz GLRIMYBLKOJCMP-GOSISDBHSA-N 1 1 329.488 3.579 20 30 EHEDMO C=CC[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)n2C)C1 ZINC000661380152 1042093372 /nfs/dbraw/zinc/09/33/72/1042093372.db2.gz BMASDRIJFMFPOL-AWEZNQCLSA-N 1 1 330.863 3.924 20 30 EHEDMO C=CC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)n2C)C1 ZINC000661380153 1042093909 /nfs/dbraw/zinc/09/39/09/1042093909.db2.gz BMASDRIJFMFPOL-CQSZACIVSA-N 1 1 330.863 3.924 20 30 EHEDMO C=CC[N@H+](CC(=O)NCc1cccc(COC(C)C)c1)C(C)(C)C ZINC000661756401 1042309001 /nfs/dbraw/zinc/30/90/01/1042309001.db2.gz NHRPGFDDOSCWIS-UHFFFAOYSA-N 1 1 332.488 3.514 20 30 EHEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000186766360 1042705326 /nfs/dbraw/zinc/70/53/26/1042705326.db2.gz UECDXSAHKDKICK-RYUDHWBXSA-N 1 1 342.270 3.652 20 30 EHEDMO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000570162302 1043025606 /nfs/dbraw/zinc/02/56/06/1043025606.db2.gz JQZOUAGCPPDRFV-GOSISDBHSA-N 1 1 337.402 3.569 20 30 EHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000344076237 1043212975 /nfs/dbraw/zinc/21/29/75/1043212975.db2.gz SQCPLICBIKTOSX-HNNXBMFYSA-N 1 1 349.434 3.558 20 30 EHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000344076237 1043212981 /nfs/dbraw/zinc/21/29/81/1043212981.db2.gz SQCPLICBIKTOSX-HNNXBMFYSA-N 1 1 349.434 3.558 20 30 EHEDMO COC1CC[NH+](C2(CN[C@@H](C)c3ccc(C#N)cc3)CCCC2)CC1 ZINC000344165133 1043352778 /nfs/dbraw/zinc/35/27/78/1043352778.db2.gz IVRXZKPQFLBUEO-KRWDZBQOSA-N 1 1 341.499 3.632 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)CC2CCCC2)c1 ZINC000344225079 1043474402 /nfs/dbraw/zinc/47/44/02/1043474402.db2.gz RJOQEXALMAVPDC-UHFFFAOYSA-N 1 1 327.472 3.672 20 30 EHEDMO Cc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000344353653 1043720831 /nfs/dbraw/zinc/72/08/31/1043720831.db2.gz CUAFYSIHPNDZTQ-LPHOPBHVSA-N 1 1 348.450 3.651 20 30 EHEDMO C=C(C)C[NH+]1CCC(NCc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000152012742 1043883054 /nfs/dbraw/zinc/88/30/54/1043883054.db2.gz STUYEABNNGLUTC-UHFFFAOYSA-N 1 1 344.890 3.860 20 30 EHEDMO C(#Cc1ccccc1)CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512284808 1044547987 /nfs/dbraw/zinc/54/79/87/1044547987.db2.gz DNMDJPFQNGEFGU-HSZRJFAPSA-N 1 1 330.475 3.636 20 30 EHEDMO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000076152624 1125546283 /nfs/dbraw/zinc/54/62/83/1125546283.db2.gz BEVPAXPWPXJZHG-VQTJNVASSA-N 1 1 334.419 3.745 20 30 EHEDMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000076152624 1125546287 /nfs/dbraw/zinc/54/62/87/1125546287.db2.gz BEVPAXPWPXJZHG-VQTJNVASSA-N 1 1 334.419 3.745 20 30 EHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3ccccc3)o2)c1 ZINC000075588017 1126733383 /nfs/dbraw/zinc/73/33/83/1126733383.db2.gz NLQZHFCNHVLHNS-GOSISDBHSA-N 1 1 330.391 3.945 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@H]1CCO ZINC000671248289 1126818572 /nfs/dbraw/zinc/81/85/72/1126818572.db2.gz OVYXBHFTOOWFAS-INIZCTEOSA-N 1 1 348.512 3.530 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CCCCC[C@@H]2CCO)ccc1OC ZINC000671309642 1126908618 /nfs/dbraw/zinc/90/86/18/1126908618.db2.gz WHAVLRKPCWFHEY-GOSISDBHSA-N 1 1 333.472 3.777 20 30 EHEDMO CCSCC[C@@H](C)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000072901348 1126917444 /nfs/dbraw/zinc/91/74/44/1126917444.db2.gz DXWPVVUYFRTLQQ-CYBMUJFWSA-N 1 1 330.457 3.572 20 30 EHEDMO C=CCOc1c(Cl)cc(C[NH2+]Cc2cccnc2OC)cc1OC ZINC000623354900 1126931730 /nfs/dbraw/zinc/93/17/30/1126931730.db2.gz NVZRKKPATJXBSL-UHFFFAOYSA-N 1 1 348.830 3.607 20 30 EHEDMO C=CC[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000623527201 1126975729 /nfs/dbraw/zinc/97/57/29/1126975729.db2.gz LZALGAZGBBHVNW-IRXDYDNUSA-N 1 1 347.528 3.568 20 30 EHEDMO C=CC[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000623693059 1127022299 /nfs/dbraw/zinc/02/22/99/1127022299.db2.gz AZBXBQDAQUVFOJ-NSHGMRRFSA-N 1 1 341.499 3.505 20 30 EHEDMO C=CC[C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000623867344 1127206676 /nfs/dbraw/zinc/20/66/76/1127206676.db2.gz YSHKZJZPJCFNFM-QWFCFKBJSA-N 1 1 341.499 3.505 20 30 EHEDMO C[C@@H](C(=O)OCC1(CC#N)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000764779564 1127533095 /nfs/dbraw/zinc/53/30/95/1127533095.db2.gz RARKJWBMWYEITP-KRWDZBQOSA-N 1 1 340.467 3.567 20 30 EHEDMO CCN(CC)c1ncc(C=[NH+]NCc2cnc3ccccc3c2)s1 ZINC000764778873 1127533328 /nfs/dbraw/zinc/53/33/28/1127533328.db2.gz NKHFUSRARKIZGV-UHFFFAOYSA-N 1 1 339.468 3.661 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N=Cc1cc2ccccc2[nH]c1=O ZINC000764888605 1127545782 /nfs/dbraw/zinc/54/57/82/1127545782.db2.gz NDRQFVUDQSKKBX-OTFDQYKVSA-N 1 1 345.446 3.880 20 30 EHEDMO CCOc1ccc(O)c(/C=N/[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000764888634 1127546597 /nfs/dbraw/zinc/54/65/97/1127546597.db2.gz NMYWENZXMXAXTD-YPPIZSGTSA-N 1 1 338.451 3.730 20 30 EHEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)cc1 ZINC000765637742 1127717702 /nfs/dbraw/zinc/71/77/02/1127717702.db2.gz GFHMXNPIJAHKCC-OAHLLOKOSA-N 1 1 331.419 3.801 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000172397925 1127936519 /nfs/dbraw/zinc/93/65/19/1127936519.db2.gz HJWDLTVKAVFHIC-NVXWUHKLSA-N 1 1 343.471 3.808 20 30 EHEDMO COc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Br)ccn1 ZINC000347543862 1128064251 /nfs/dbraw/zinc/06/42/51/1128064251.db2.gz RQZMGMFIPXPHQB-LLVKDONJSA-N 1 1 346.228 3.575 20 30 EHEDMO CC(C)[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000113256879 1128358509 /nfs/dbraw/zinc/35/85/09/1128358509.db2.gz PGNQLYCIOZENLW-MOPGFXCFSA-N 1 1 347.890 3.777 20 30 EHEDMO CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000113256879 1128358511 /nfs/dbraw/zinc/35/85/11/1128358511.db2.gz PGNQLYCIOZENLW-MOPGFXCFSA-N 1 1 347.890 3.777 20 30 EHEDMO COc1ccc([C@@H]2C[C@H]([N@H+]3CCc4ccc(C#N)cc4C3)CCO2)cc1 ZINC001168632586 1128502559 /nfs/dbraw/zinc/50/25/59/1128502559.db2.gz DLSQGNOVHPVUAW-IRLDBZIGSA-N 1 1 348.446 3.845 20 30 EHEDMO C[N@@H+](CCNc1ccc2cc(C#N)ccc2n1)Cc1ccc(F)cc1 ZINC000301976464 1128613649 /nfs/dbraw/zinc/61/36/49/1128613649.db2.gz MJPKJYIWPSLESY-UHFFFAOYSA-N 1 1 334.398 3.789 20 30 EHEDMO N#Cc1cccc(Cl)c1NCc1ccccc1C[NH+]1CCOCC1 ZINC000301174954 1128577210 /nfs/dbraw/zinc/57/72/10/1128577210.db2.gz HWJSQEDBAIBRRJ-UHFFFAOYSA-N 1 1 341.842 3.656 20 30 EHEDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000301177685 1128577330 /nfs/dbraw/zinc/57/73/30/1128577330.db2.gz ZQHYUYMSZPHDQU-CQSZACIVSA-N 1 1 327.378 3.720 20 30 EHEDMO CC[N@@H+]1CC[C@H](Nc2ncccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301985430 1128614226 /nfs/dbraw/zinc/61/42/26/1128614226.db2.gz LREWXJVKCLMIOF-IRXDYDNUSA-N 1 1 344.821 3.993 20 30 EHEDMO CC[N@H+]1CC[C@H](Nc2ncccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301985430 1128614229 /nfs/dbraw/zinc/61/42/29/1128614229.db2.gz LREWXJVKCLMIOF-IRXDYDNUSA-N 1 1 344.821 3.993 20 30 EHEDMO N#Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000301269235 1128580854 /nfs/dbraw/zinc/58/08/54/1128580854.db2.gz HIKDXNXYXVLCOJ-GOSISDBHSA-N 1 1 336.395 3.543 20 30 EHEDMO CC[N@@H+]1CC[C@@H](Nc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301993318 1128614700 /nfs/dbraw/zinc/61/47/00/1128614700.db2.gz REEZQCQXCQTVSQ-AEFFLSMTSA-N 1 1 344.821 3.993 20 30 EHEDMO CC[N@H+]1CC[C@@H](Nc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301993318 1128614703 /nfs/dbraw/zinc/61/47/03/1128614703.db2.gz REEZQCQXCQTVSQ-AEFFLSMTSA-N 1 1 344.821 3.993 20 30 EHEDMO CC(=O)c1ccc(C#N)c(NC[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000302082771 1128618888 /nfs/dbraw/zinc/61/88/88/1128618888.db2.gz CVNFHWMNIAZTQI-HNNXBMFYSA-N 1 1 333.435 3.620 20 30 EHEDMO CC(C)(O)C[N@H+]1CCc2c(cccc2Nc2cccc(F)c2C#N)C1 ZINC000302175039 1128623694 /nfs/dbraw/zinc/62/36/94/1128623694.db2.gz QOQXITATIXPIBS-UHFFFAOYSA-N 1 1 339.414 3.570 20 30 EHEDMO Cc1ccc(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)nc1C#N ZINC000302624626 1128639336 /nfs/dbraw/zinc/63/93/36/1128639336.db2.gz HRMMLPJKWZDVCI-OAHLLOKOSA-N 1 1 340.858 3.798 20 30 EHEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000302811914 1128649263 /nfs/dbraw/zinc/64/92/63/1128649263.db2.gz ZBMLJRVPTLQQBW-AWEZNQCLSA-N 1 1 327.378 3.720 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNc1c(C#N)cccc1C#N)C1CC1 ZINC000302897872 1128654053 /nfs/dbraw/zinc/65/40/53/1128654053.db2.gz RQTFRJHYOUMQFE-FQEVSTJZSA-N 1 1 330.435 3.752 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2C2CCC2)cc1Cl ZINC000303142128 1128666933 /nfs/dbraw/zinc/66/69/33/1128666933.db2.gz DAUINNQEUZVVJV-QGZVFWFLSA-N 1 1 331.847 3.805 20 30 EHEDMO N#Cc1cccc(NC(=O)C[N@H+](Cc2ccoc2)C2CCCCC2)c1 ZINC000303943689 1128709573 /nfs/dbraw/zinc/70/95/73/1128709573.db2.gz UCAURHAIGNUVRW-UHFFFAOYSA-N 1 1 337.423 3.925 20 30 EHEDMO N#Cc1cccc(NC(=O)C[N@@H+](Cc2ccoc2)C2CCCCC2)c1 ZINC000303943689 1128709577 /nfs/dbraw/zinc/70/95/77/1128709577.db2.gz UCAURHAIGNUVRW-UHFFFAOYSA-N 1 1 337.423 3.925 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCN(Cc3ccsc3Cl)CC2)cc1 ZINC000361506626 1128709890 /nfs/dbraw/zinc/70/98/90/1128709890.db2.gz ACOMPGFYOBXKST-UHFFFAOYSA-N 1 1 331.872 3.591 20 30 EHEDMO COC(=O)c1cccc(C[N@@H+]2CCC(C)=C(c3ccco3)C2)c1C#N ZINC000554837146 1128713402 /nfs/dbraw/zinc/71/34/02/1128713402.db2.gz IHGITGBOKVDHCC-UHFFFAOYSA-N 1 1 336.391 3.617 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2CCC(C)=C(c3ccco3)C2)c1C#N ZINC000554837146 1128713403 /nfs/dbraw/zinc/71/34/03/1128713403.db2.gz IHGITGBOKVDHCC-UHFFFAOYSA-N 1 1 336.391 3.617 20 30 EHEDMO Cc1ccc(C[NH2+]Cc2csc(C#N)c2)c(OC[C@H]2CCCO2)c1 ZINC000921834928 1128797940 /nfs/dbraw/zinc/79/79/40/1128797940.db2.gz ZDQLFCKMFVAPFA-QGZVFWFLSA-N 1 1 342.464 3.776 20 30 EHEDMO C[N@@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCCc2ccccc21 ZINC000008126987 1128904256 /nfs/dbraw/zinc/90/42/56/1128904256.db2.gz OUCXKXDZCGSLRP-INIZCTEOSA-N 1 1 325.437 3.568 20 30 EHEDMO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(F)cc1F ZINC000008241289 1128911789 /nfs/dbraw/zinc/91/17/89/1128911789.db2.gz IMXQXRORRXKGNJ-SNVBAGLBSA-N 1 1 349.768 3.779 20 30 EHEDMO C/C(=C\c1ccccc1)C[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000494233143 1120511806 /nfs/dbraw/zinc/51/18/06/1120511806.db2.gz GMPSAIXKJJGHQS-GXDHUFHOSA-N 1 1 337.423 3.742 20 30 EHEDMO C/C(=C\c1ccccc1)C[N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000494233143 1120511810 /nfs/dbraw/zinc/51/18/10/1120511810.db2.gz GMPSAIXKJJGHQS-GXDHUFHOSA-N 1 1 337.423 3.742 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272194941 1120561456 /nfs/dbraw/zinc/56/14/56/1120561456.db2.gz CBFKOSPYYIMJIA-FXAWDEMLSA-N 1 1 347.462 3.507 20 30 EHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000494704485 1120719421 /nfs/dbraw/zinc/71/94/21/1120719421.db2.gz UWOXWDBGLKXOGT-GOSISDBHSA-N 1 1 337.385 3.948 20 30 EHEDMO C=CC[N@@H+](C)CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000494709301 1120737988 /nfs/dbraw/zinc/73/79/88/1120737988.db2.gz NPWVBEVMOUWSHJ-LJQANCHMSA-N 1 1 328.843 3.663 20 30 EHEDMO C=CC[N@H+](C)CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000494709301 1120737994 /nfs/dbraw/zinc/73/79/94/1120737994.db2.gz NPWVBEVMOUWSHJ-LJQANCHMSA-N 1 1 328.843 3.663 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000914576325 1120906880 /nfs/dbraw/zinc/90/68/80/1120906880.db2.gz DGPLKCSNIXUHNV-UHFFFAOYSA-N 1 1 335.403 3.990 20 30 EHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000914579731 1120911297 /nfs/dbraw/zinc/91/12/97/1120911297.db2.gz FJCXKRQLBXHZTP-AWEZNQCLSA-N 1 1 329.831 3.750 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000914579731 1120911299 /nfs/dbraw/zinc/91/12/99/1120911299.db2.gz FJCXKRQLBXHZTP-AWEZNQCLSA-N 1 1 329.831 3.750 20 30 EHEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648742538 1120947173 /nfs/dbraw/zinc/94/71/73/1120947173.db2.gz AZTVVRGSSNIXTP-INIZCTEOSA-N 1 1 341.455 3.620 20 30 EHEDMO CC[C@@H](C/N=C\c1cccc(OC)c1O)[N@H+]1CCc2ccccc2C1 ZINC000914701255 1120955447 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C=CCOCc1ncn2c1C[N@@H+]([C@H](C)Cc1cccc(F)c1)CCC2 ZINC001168489583 1121273349 /nfs/dbraw/zinc/27/33/49/1121273349.db2.gz WTZNMHRJFAEEHI-MRXNPFEDSA-N 1 1 343.446 3.562 20 30 EHEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000495763926 1121407087 /nfs/dbraw/zinc/40/70/87/1121407087.db2.gz OHEJARFDGKWMKA-CZUORRHYSA-N 1 1 347.434 3.575 20 30 EHEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000495763926 1121407089 /nfs/dbraw/zinc/40/70/89/1121407089.db2.gz OHEJARFDGKWMKA-CZUORRHYSA-N 1 1 347.434 3.575 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2cc(C#N)cs2)C1 ZINC000495951512 1121579326 /nfs/dbraw/zinc/57/93/26/1121579326.db2.gz QOYHTYSNZJXWEV-SFHVURJKSA-N 1 1 347.484 3.595 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2Cc2cc(C#N)cs2)C1 ZINC000495951512 1121579331 /nfs/dbraw/zinc/57/93/31/1121579331.db2.gz QOYHTYSNZJXWEV-SFHVURJKSA-N 1 1 347.484 3.595 20 30 EHEDMO CC[N@H+](CC(=O)Nc1cc(F)cc(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000193759425 1121620259 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343.452 3.761 20 30 EHEDMO Cc1nnc(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000311770749 1129042014 /nfs/dbraw/zinc/04/20/14/1129042014.db2.gz HEOGAWBQEPKRFZ-LJQANCHMSA-N 1 1 349.482 3.679 20 30 EHEDMO C[C@@H]1CCC[C@H]([N@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000917100596 1122500071 /nfs/dbraw/zinc/50/00/71/1122500071.db2.gz SHHPFVQKIKCGBH-ILXRZTDVSA-N 1 1 341.480 3.983 20 30 EHEDMO C[C@@H]1CCC[C@H]([N@@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000917100596 1122500073 /nfs/dbraw/zinc/50/00/73/1122500073.db2.gz SHHPFVQKIKCGBH-ILXRZTDVSA-N 1 1 341.480 3.983 20 30 EHEDMO C=CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1)C(C)C ZINC000917168729 1122543468 /nfs/dbraw/zinc/54/34/68/1122543468.db2.gz YLUZONXCQHRADX-LJQANCHMSA-N 1 1 330.472 3.645 20 30 EHEDMO CC(C)(C#N)CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000497783969 1122665461 /nfs/dbraw/zinc/66/54/61/1122665461.db2.gz RMXFUXHKQLUOLD-QGZVFWFLSA-N 1 1 347.890 3.751 20 30 EHEDMO C=CC[C@@H](CC)NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000499615128 1129088344 /nfs/dbraw/zinc/08/83/44/1129088344.db2.gz KDSFGVCHAZHLNT-JKSUJKDBSA-N 1 1 335.517 3.614 20 30 EHEDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000615229055 1122975978 /nfs/dbraw/zinc/97/59/78/1122975978.db2.gz AEDNAICLOCUFJM-OAHLLOKOSA-N 1 1 334.847 3.623 20 30 EHEDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC2(c3cccc(C#N)c3)CC2)C1 ZINC000556602235 1123058027 /nfs/dbraw/zinc/05/80/27/1123058027.db2.gz VZHZMBBNZOBSES-UTKZUKDTSA-N 1 1 331.463 3.972 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC2(c3cccc(C#N)c3)CC2)C1 ZINC000556602235 1123058031 /nfs/dbraw/zinc/05/80/31/1123058031.db2.gz VZHZMBBNZOBSES-UTKZUKDTSA-N 1 1 331.463 3.972 20 30 EHEDMO C=CC[N@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)C(C)C ZINC000920411991 1123365107 /nfs/dbraw/zinc/36/51/07/1123365107.db2.gz PEVHVWIJEPSHDO-UHFFFAOYSA-N 1 1 338.455 3.585 20 30 EHEDMO C=CC[N@@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)C(C)C ZINC000920411991 1123365115 /nfs/dbraw/zinc/36/51/15/1123365115.db2.gz PEVHVWIJEPSHDO-UHFFFAOYSA-N 1 1 338.455 3.585 20 30 EHEDMO C#CCC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000920417644 1123365723 /nfs/dbraw/zinc/36/57/23/1123365723.db2.gz KOTUGBBGWMCKJU-IBGZPJMESA-N 1 1 327.449 3.736 20 30 EHEDMO CC(C)(C#N)c1ccccc1CN1CC[NH+](Cc2cccs2)CC1 ZINC000135104970 1123582933 /nfs/dbraw/zinc/58/29/33/1123582933.db2.gz XUWISLGLJOIIDX-UHFFFAOYSA-N 1 1 339.508 3.867 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[NH+]1CCN(Cc2cccs2)CC1 ZINC000135104970 1123582936 /nfs/dbraw/zinc/58/29/36/1123582936.db2.gz XUWISLGLJOIIDX-UHFFFAOYSA-N 1 1 339.508 3.867 20 30 EHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CCC1CC1 ZINC000135281031 1123597066 /nfs/dbraw/zinc/59/70/66/1123597066.db2.gz FQEXEQLGZFNPCO-AWEZNQCLSA-N 1 1 331.485 3.609 20 30 EHEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000078662431 1123645052 /nfs/dbraw/zinc/64/50/52/1123645052.db2.gz OTOCHWUHKOBTSQ-UHFFFAOYSA-N 1 1 330.428 3.565 20 30 EHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000078662431 1123645054 /nfs/dbraw/zinc/64/50/54/1123645054.db2.gz OTOCHWUHKOBTSQ-UHFFFAOYSA-N 1 1 330.428 3.565 20 30 EHEDMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000609709623 1123648341 /nfs/dbraw/zinc/64/83/41/1123648341.db2.gz FRDZVBMVOCZKDZ-OALUTQOASA-N 1 1 344.499 3.641 20 30 EHEDMO Cc1cccc([C@H]2CCCCC[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000609801252 1123664177 /nfs/dbraw/zinc/66/41/77/1123664177.db2.gz FYSXYFQWKFQRKC-TZIWHRDSSA-N 1 1 339.483 3.721 20 30 EHEDMO Cc1cccc([C@@H]2CCCCC[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000609801251 1123664336 /nfs/dbraw/zinc/66/43/36/1123664336.db2.gz FYSXYFQWKFQRKC-PZJWPPBQSA-N 1 1 339.483 3.721 20 30 EHEDMO CC(C)C[C@@H]1CCCCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610144731 1123735844 /nfs/dbraw/zinc/73/58/44/1123735844.db2.gz ZVWOVAXIESAXSV-PMACEKPBSA-N 1 1 344.499 3.783 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000610132267 1123738976 /nfs/dbraw/zinc/73/89/76/1123738976.db2.gz KJXWMACVOBTHEQ-ZDUSSCGKSA-N 1 1 346.377 3.917 20 30 EHEDMO C=C(C)Cn1c(C)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000670207353 1123823451 /nfs/dbraw/zinc/82/34/51/1123823451.db2.gz DRQRZRQWYGBTAV-KRWDZBQOSA-N 1 1 345.535 3.644 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000245466274 1123840065 /nfs/dbraw/zinc/84/00/65/1123840065.db2.gz RAONTIWKXZVDJM-SOUVJXGZSA-N 1 1 331.485 3.892 20 30 EHEDMO CC[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cc(F)ccc1F ZINC000179772098 1123851450 /nfs/dbraw/zinc/85/14/50/1123851450.db2.gz SDPAOSQVKHBDAC-QGZVFWFLSA-N 1 1 329.350 3.516 20 30 EHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccc(F)cc1F ZINC000068825594 1124034502 /nfs/dbraw/zinc/03/45/02/1124034502.db2.gz MQYGGXHXFCPSTA-SFHVURJKSA-N 1 1 348.349 3.595 20 30 EHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccc(F)cc1F ZINC000068825594 1124034507 /nfs/dbraw/zinc/03/45/07/1124034507.db2.gz MQYGGXHXFCPSTA-SFHVURJKSA-N 1 1 348.349 3.595 20 30 EHEDMO CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000246330747 1124089210 /nfs/dbraw/zinc/08/92/10/1124089210.db2.gz XTSMZHLXFWBEAE-HUUCEWRRSA-N 1 1 331.485 3.751 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000247092950 1124586498 /nfs/dbraw/zinc/58/64/98/1124586498.db2.gz XNZCMJUNBNGOTQ-PMPSAXMXSA-N 1 1 345.512 3.997 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000247092950 1124586512 /nfs/dbraw/zinc/58/65/12/1124586512.db2.gz XNZCMJUNBNGOTQ-PMPSAXMXSA-N 1 1 345.512 3.997 20 30 EHEDMO C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000247967454 1124632015 /nfs/dbraw/zinc/63/20/15/1124632015.db2.gz DXMRNMNJZWBBEI-NHCUHLMSSA-N 1 1 349.478 3.830 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(F)cc(C(F)(F)F)c2)no1 ZINC001212325299 1124665252 /nfs/dbraw/zinc/66/52/52/1124665252.db2.gz MYMQTQVXTWPIQQ-LBPRGKRZSA-N 1 1 327.281 3.698 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(OC)cc2C(F)(F)F)no1 ZINC001212325592 1124670712 /nfs/dbraw/zinc/67/07/12/1124670712.db2.gz WMUCQYKSFSLAJC-ZDUSSCGKSA-N 1 1 339.317 3.567 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(-c3scnc3C)cc2)no1 ZINC001212327308 1124680002 /nfs/dbraw/zinc/68/00/02/1124680002.db2.gz ZDDAFRNEHWIPAL-HNNXBMFYSA-N 1 1 338.436 3.972 20 30 EHEDMO C=CCC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000249572865 1124765708 /nfs/dbraw/zinc/76/57/08/1124765708.db2.gz OSLXMNYWJNRWOQ-AZUAARDMSA-N 1 1 328.500 3.973 20 30 EHEDMO CN(CC[N@@H+](C)Cc1cc(Cl)ccc1OCC#N)c1ccccc1 ZINC000735309924 1131333895 /nfs/dbraw/zinc/33/38/95/1131333895.db2.gz WLYCLRXKJTXHRL-UHFFFAOYSA-N 1 1 343.858 3.811 20 30 EHEDMO C=CCc1cc(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)cc(OC)c1O ZINC000093324680 1125225201 /nfs/dbraw/zinc/22/52/01/1125225201.db2.gz BBJUUUCRYAJUIZ-HNNXBMFYSA-N 1 1 341.451 3.898 20 30 EHEDMO Cc1cc(Cl)c2ncc(C#N)c(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2c1 ZINC000619792620 1125409943 /nfs/dbraw/zinc/40/99/43/1125409943.db2.gz CGVTYWZFQOYADE-JSGCOSHPSA-N 1 1 328.847 3.963 20 30 EHEDMO Cc1oc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000115552507 1129273899 /nfs/dbraw/zinc/27/38/99/1129273899.db2.gz OANUJEZGGWCHRD-SUMWQHHRSA-N 1 1 337.423 3.585 20 30 EHEDMO Cc1oc(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000115552507 1129273900 /nfs/dbraw/zinc/27/39/00/1129273900.db2.gz OANUJEZGGWCHRD-SUMWQHHRSA-N 1 1 337.423 3.585 20 30 EHEDMO CCc1ccccc1N=NC(C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735612451 1131363653 /nfs/dbraw/zinc/36/36/53/1131363653.db2.gz LFQDCWVGSIWJJV-NRFANRHFSA-N 1 1 337.467 3.938 20 30 EHEDMO CCc1ccccc1N=NC(C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735612451 1131363657 /nfs/dbraw/zinc/36/36/57/1131363657.db2.gz LFQDCWVGSIWJJV-NRFANRHFSA-N 1 1 337.467 3.938 20 30 EHEDMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000543210674 1129344149 /nfs/dbraw/zinc/34/41/49/1129344149.db2.gz YYNKBMKHIUBDIE-KRWDZBQOSA-N 1 1 336.435 3.564 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000735670900 1131372175 /nfs/dbraw/zinc/37/21/75/1131372175.db2.gz ZECZGPCASTWMGC-QAPCUYQASA-N 1 1 343.471 3.951 20 30 EHEDMO C=C(C)C[C@H](C)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000466414497 1129432863 /nfs/dbraw/zinc/43/28/63/1129432863.db2.gz AXSIMCJFLFTLCQ-ULQDDVLXSA-N 1 1 330.472 3.837 20 30 EHEDMO CCC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000466475161 1129480681 /nfs/dbraw/zinc/48/06/81/1129480681.db2.gz RZGXERBLNQFEMT-KGLIPLIRSA-N 1 1 345.512 3.948 20 30 EHEDMO CCC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000466475161 1129480682 /nfs/dbraw/zinc/48/06/82/1129480682.db2.gz RZGXERBLNQFEMT-KGLIPLIRSA-N 1 1 345.512 3.948 20 30 EHEDMO CO[C@@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000091772724 1129523248 /nfs/dbraw/zinc/52/32/48/1129523248.db2.gz BHLQNFGAVMAYSI-OAQYLSRUSA-N 1 1 336.435 3.748 20 30 EHEDMO Cc1cccc(C2=CC[N@@H+](CCC(=O)Nc3ccccc3C#N)CC2)c1 ZINC000092822305 1129563229 /nfs/dbraw/zinc/56/32/29/1129563229.db2.gz JFUXSURMNFABMJ-UHFFFAOYSA-N 1 1 345.446 3.985 20 30 EHEDMO C[C@H]1SCC[N@H+](Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccccc1 ZINC000093535471 1129593031 /nfs/dbraw/zinc/59/30/31/1129593031.db2.gz BMPDGBYCGJVRIZ-QRWLVFNGSA-N 1 1 348.475 3.885 20 30 EHEDMO C[C@H]1SCC[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccccc1 ZINC000093535471 1129593034 /nfs/dbraw/zinc/59/30/34/1129593034.db2.gz BMPDGBYCGJVRIZ-QRWLVFNGSA-N 1 1 348.475 3.885 20 30 EHEDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000155373063 1129632925 /nfs/dbraw/zinc/63/29/25/1129632925.db2.gz GONRZMOOCHHUQM-IYBDPMFKSA-N 1 1 349.434 3.515 20 30 EHEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2CC(N)=O)c1 ZINC000331143729 1129653899 /nfs/dbraw/zinc/65/38/99/1129653899.db2.gz GIZMLJNPINDIHF-CYBMUJFWSA-N 1 1 336.233 3.601 20 30 EHEDMO COCCCC[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1OC ZINC000156337007 1129711576 /nfs/dbraw/zinc/71/15/76/1129711576.db2.gz MXWSOJLCRKCUHG-UHFFFAOYSA-N 1 1 338.451 3.996 20 30 EHEDMO C=CCOc1ccccc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000509096622 1129742137 /nfs/dbraw/zinc/74/21/37/1129742137.db2.gz HTDMIXDNFXWEJC-UHFFFAOYSA-N 1 1 347.462 3.835 20 30 EHEDMO CCCC[C@H](CC)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000073970090 1129869955 /nfs/dbraw/zinc/86/99/55/1129869955.db2.gz DEFCZGHXYHRGIS-FQEVSTJZSA-N 1 1 341.499 3.809 20 30 EHEDMO CCCC[C@H](CC)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000073970090 1129869962 /nfs/dbraw/zinc/86/99/62/1129869962.db2.gz DEFCZGHXYHRGIS-FQEVSTJZSA-N 1 1 341.499 3.809 20 30 EHEDMO COC(=O)c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)s1 ZINC000163197457 1129923234 /nfs/dbraw/zinc/92/32/34/1129923234.db2.gz FCTXWTFZHGPXNY-UHFFFAOYSA-N 1 1 328.437 3.817 20 30 EHEDMO C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC001168750162 1129935499 /nfs/dbraw/zinc/93/54/99/1129935499.db2.gz IQESUTPHGAAGCZ-NUWOQIAWSA-N 1 1 335.492 3.646 20 30 EHEDMO C=CC[C@H]1CC[N@@H+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000625703969 1129987293 /nfs/dbraw/zinc/98/72/93/1129987293.db2.gz QIKANLOVBKGNGK-OXJNMPFZSA-N 1 1 340.492 3.852 20 30 EHEDMO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000429244008 1130297275 /nfs/dbraw/zinc/29/72/75/1130297275.db2.gz DCHWOQWEOVZMFU-AWEZNQCLSA-N 1 1 327.378 3.547 20 30 EHEDMO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000429244008 1130297278 /nfs/dbraw/zinc/29/72/78/1130297278.db2.gz DCHWOQWEOVZMFU-AWEZNQCLSA-N 1 1 327.378 3.547 20 30 EHEDMO CCc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N[C@](C)(C#N)C2CC2)o1 ZINC000246170516 1130352157 /nfs/dbraw/zinc/35/21/57/1130352157.db2.gz IVJDSRZVWXRUMW-YLJYHZDGSA-N 1 1 343.471 3.568 20 30 EHEDMO CCc1ccc([C@H]2CCCCC[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)o1 ZINC000246170516 1130352164 /nfs/dbraw/zinc/35/21/64/1130352164.db2.gz IVJDSRZVWXRUMW-YLJYHZDGSA-N 1 1 343.471 3.568 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)C1 ZINC000246364634 1130375062 /nfs/dbraw/zinc/37/50/62/1130375062.db2.gz LDDUMGFNRCFEPV-SJLPKXTDSA-N 1 1 340.471 3.677 20 30 EHEDMO C=C[C@H](C)[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000675933866 1130507562 /nfs/dbraw/zinc/50/75/62/1130507562.db2.gz UFPCPSCCFYVCDT-WDEREUQCSA-N 1 1 335.249 3.563 20 30 EHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=S)Nc2ccccc2C#N)C1 ZINC000731946209 1130863727 /nfs/dbraw/zinc/86/37/27/1130863727.db2.gz VEKHGDBNZALENE-OAHLLOKOSA-N 1 1 344.528 3.745 20 30 EHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNCc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000732229998 1130902439 /nfs/dbraw/zinc/90/24/39/1130902439.db2.gz UBZRYYJSFMIMAA-MSOLQXFVSA-N 1 1 343.515 3.968 20 30 EHEDMO CC[C@H]1CCCN(C(C)(C)C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000732229998 1130902443 /nfs/dbraw/zinc/90/24/43/1130902443.db2.gz UBZRYYJSFMIMAA-MSOLQXFVSA-N 1 1 343.515 3.968 20 30 EHEDMO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000732269661 1130907914 /nfs/dbraw/zinc/90/79/14/1130907914.db2.gz JNDHLDKIWNYDNU-WOJBJXKFSA-N 1 1 333.435 3.765 20 30 EHEDMO C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000732269661 1130907918 /nfs/dbraw/zinc/90/79/18/1130907918.db2.gz JNDHLDKIWNYDNU-WOJBJXKFSA-N 1 1 333.435 3.765 20 30 EHEDMO C#CC[N@@H+](CCCC#N)[C@H]1CCOc2ccc(Br)cc21 ZINC000733195496 1131003829 /nfs/dbraw/zinc/00/38/29/1131003829.db2.gz PDEKGXGANFFFCJ-HNNXBMFYSA-N 1 1 333.229 3.512 20 30 EHEDMO C#CC[N@H+](CCCC#N)[C@H]1CCOc2ccc(Br)cc21 ZINC000733195496 1131003834 /nfs/dbraw/zinc/00/38/34/1131003834.db2.gz PDEKGXGANFFFCJ-HNNXBMFYSA-N 1 1 333.229 3.512 20 30 EHEDMO C#CCCOc1ccc(CNCCC[N@H+](C)C2CCCCC2)cc1 ZINC000733322546 1131024165 /nfs/dbraw/zinc/02/41/65/1131024165.db2.gz LSQIRSIZNFMQEM-UHFFFAOYSA-N 1 1 328.500 3.833 20 30 EHEDMO C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347957958 1131104904 /nfs/dbraw/zinc/10/49/04/1131104904.db2.gz MXWKZBASDYVVJH-QGZVFWFLSA-N 1 1 345.446 3.699 20 30 EHEDMO C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347957958 1131104909 /nfs/dbraw/zinc/10/49/09/1131104909.db2.gz MXWKZBASDYVVJH-QGZVFWFLSA-N 1 1 345.446 3.699 20 30 EHEDMO CC(=[NH+]N[C@H](C)c1ccccc1)c1c(F)cccc1N1CCOCC1 ZINC000741162800 1131582032 /nfs/dbraw/zinc/58/20/32/1131582032.db2.gz KOVWIQQKRVPHIZ-OAHLLOKOSA-N 1 1 341.430 3.737 20 30 EHEDMO CC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)[C@@H](C)C(C)C ZINC000741788506 1131647721 /nfs/dbraw/zinc/64/77/21/1131647721.db2.gz VQCCKHYXILFLHL-UONOGXRCSA-N 1 1 329.469 3.839 20 30 EHEDMO CC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)[C@@H](C)C(C)C ZINC000741788506 1131647725 /nfs/dbraw/zinc/64/77/25/1131647725.db2.gz VQCCKHYXILFLHL-UONOGXRCSA-N 1 1 329.469 3.839 20 30 EHEDMO COc1ccc(C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)cc1C#N ZINC000742372056 1131716898 /nfs/dbraw/zinc/71/68/98/1131716898.db2.gz PMTNTGUUMWNGJA-LBPRGKRZSA-N 1 1 327.453 3.753 20 30 EHEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@H](C)CCOCC(C)C)CCO2 ZINC001172469219 1131734019 /nfs/dbraw/zinc/73/40/19/1131734019.db2.gz AFUGNVBBPIGKPN-HSALFYBXSA-N 1 1 339.520 3.511 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H](C)CCOC(C)C)[C@H]2CC ZINC001172446630 1131745555 /nfs/dbraw/zinc/74/55/55/1131745555.db2.gz MJEUICSXISYQGB-BJLQDIEVSA-N 1 1 336.520 3.612 20 30 EHEDMO Cc1noc(C)c1C[N@H+]1CCCC12CCN([C@H](C)CCCC#N)CC2 ZINC001172495603 1131758896 /nfs/dbraw/zinc/75/88/96/1131758896.db2.gz GLHUYIDTUKHWTL-MRXNPFEDSA-N 1 1 344.503 3.804 20 30 EHEDMO Cc1noc(C)c1C[N@@H+]1CCCC12CCN([C@H](C)CCCC#N)CC2 ZINC001172495603 1131758901 /nfs/dbraw/zinc/75/89/01/1131758901.db2.gz GLHUYIDTUKHWTL-MRXNPFEDSA-N 1 1 344.503 3.804 20 30 EHEDMO CC(C)OC(=O)CC[C@@H](C)[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001172771973 1131841693 /nfs/dbraw/zinc/84/16/93/1131841693.db2.gz ARNOJKAVDVMLMY-AEFFLSMTSA-N 1 1 344.455 3.522 20 30 EHEDMO C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001172865925 1131861923 /nfs/dbraw/zinc/86/19/23/1131861923.db2.gz FKLVBKGHNODYRF-BMIGLBTASA-N 1 1 325.836 3.684 20 30 EHEDMO C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001172865925 1131861932 /nfs/dbraw/zinc/86/19/32/1131861932.db2.gz FKLVBKGHNODYRF-BMIGLBTASA-N 1 1 325.836 3.684 20 30 EHEDMO C[C@@H]1CCC[N@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C[C@H]1C ZINC001172980341 1131923875 /nfs/dbraw/zinc/92/38/75/1131923875.db2.gz MVOXBIHOLJJOHM-NCOADZHNSA-N 1 1 335.492 3.646 20 30 EHEDMO Cc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c1 ZINC001172981390 1131926025 /nfs/dbraw/zinc/92/60/25/1131926025.db2.gz VUJIYZIVLLGADG-MSOLQXFVSA-N 1 1 343.471 3.719 20 30 EHEDMO Oc1ccc(Br)cc1/C=N\CC[NH+]1Cc2ccccc2C1 ZINC000743538878 1131942851 /nfs/dbraw/zinc/94/28/51/1131942851.db2.gz ROHRHQGASKELDT-GRSHGNNSSA-N 1 1 345.240 3.589 20 30 EHEDMO CC[C@@H]1CC[C@@H]([N@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)C1 ZINC001173280757 1132040708 /nfs/dbraw/zinc/04/07/08/1132040708.db2.gz QEULFVBVAXHLEJ-BLIXFSHQSA-N 1 1 337.467 3.566 20 30 EHEDMO C=CCOC1CCC([N@H+](CCNC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001173323666 1132047266 /nfs/dbraw/zinc/04/72/66/1132047266.db2.gz DYUMDLPBNAUBBP-UHFFFAOYSA-N 1 1 340.508 3.735 20 30 EHEDMO CCOC(=O)[C@H](CCc1ccccc1)[NH2+]C1CCC(CC#N)CC1 ZINC001173326283 1132048571 /nfs/dbraw/zinc/04/85/71/1132048571.db2.gz 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338.430 3.578 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(N=C(NO)c2ccc(C)cn2)cc1 ZINC001169411238 1132754407 /nfs/dbraw/zinc/75/44/07/1132754407.db2.gz LQMYBJYMAMRSSB-IBGZPJMESA-N 1 1 336.439 3.770 20 30 EHEDMO CC(=O)N1CC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H](C)c2ccccc2)C1 ZINC001169560315 1132786651 /nfs/dbraw/zinc/78/66/51/1132786651.db2.gz LNNCHASFTXUYTH-VGSWGCGISA-N 1 1 347.462 3.742 20 30 EHEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC001176254766 1132895705 /nfs/dbraw/zinc/89/57/05/1132895705.db2.gz YNRQIGVIWNCHNV-SYJBPTKTSA-N 1 1 333.520 3.674 20 30 EHEDMO CC(C)Oc1cc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c(F)cn1 ZINC001176481862 1132944265 /nfs/dbraw/zinc/94/42/65/1132944265.db2.gz CRUAMKHMIYUUDD-UHFFFAOYSA-N 1 1 346.431 3.673 20 30 EHEDMO CC(C)Oc1cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c(F)cn1 ZINC001176481862 1132944273 /nfs/dbraw/zinc/94/42/73/1132944273.db2.gz CRUAMKHMIYUUDD-UHFFFAOYSA-N 1 1 346.431 3.673 20 30 EHEDMO N#CC1(C[N@H+](Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)CC1 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345.446 3.922 20 30 EHEDMO Cc1ccc(CNC2CC[NH+](CCc3ccccc3)CC2)cc1C#N ZINC001179562928 1133258950 /nfs/dbraw/zinc/25/89/50/1133258950.db2.gz ZLJCZLPXFHQIRS-UHFFFAOYSA-N 1 1 333.479 3.663 20 30 EHEDMO CC(C)(C)c1nc(C#N)c(N=NC2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000746498038 1133276521 /nfs/dbraw/zinc/27/65/21/1133276521.db2.gz GBIDSHQOHBHRIY-UHFFFAOYSA-N 1 1 337.427 3.518 20 30 EHEDMO CC(C)(C)c1nc(C#N)c(N=NC2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000746498038 1133276527 /nfs/dbraw/zinc/27/65/27/1133276527.db2.gz GBIDSHQOHBHRIY-UHFFFAOYSA-N 1 1 337.427 3.518 20 30 EHEDMO C#CCCOc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1 ZINC000769479606 1133286445 /nfs/dbraw/zinc/28/64/45/1133286445.db2.gz JNOZIJHJGVHSSD-UXHICEINSA-N 1 1 326.484 3.536 20 30 EHEDMO CCOC(=O)CC(C)(C)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC001180133304 1133329127 /nfs/dbraw/zinc/32/91/27/1133329127.db2.gz TUUIBBJCVBKTKT-UHFFFAOYSA-N 1 1 326.440 3.627 20 30 EHEDMO FC(F)(F)CN[NH+]=Cc1ccc(N2CCC(c3ccccc3)=N2)cc1 ZINC000769821114 1133343408 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3.907 20 30 EHEDMO C#Cc1ccc(C[N@H+](Cc2cccc(OC)c2)C2CCC(O)CC2)cc1 ZINC000787773401 1134039075 /nfs/dbraw/zinc/03/90/75/1134039075.db2.gz NSAOQMRHTHIUQJ-UHFFFAOYSA-N 1 1 349.474 3.982 20 30 EHEDMO Cc1cc(F)c(C#N)c(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001185518815 1134101683 /nfs/dbraw/zinc/10/16/83/1134101683.db2.gz PFJIBZVZRLRCBD-GOSISDBHSA-N 1 1 337.442 3.964 20 30 EHEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1nc(Br)ccc1F ZINC000788520435 1134137016 /nfs/dbraw/zinc/13/70/16/1134137016.db2.gz QYBZDXVPHPJBIX-SNVBAGLBSA-N 1 1 334.192 3.706 20 30 EHEDMO C=C(Br)C[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789314685 1134253124 /nfs/dbraw/zinc/25/31/24/1134253124.db2.gz DPDZBIQKPAXMRP-UHFFFAOYSA-N 1 1 345.668 3.734 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000789500707 1134286218 /nfs/dbraw/zinc/28/62/18/1134286218.db2.gz CYVVPRJQSMHPPP-ROUUACIJSA-N 1 1 343.496 3.915 20 30 EHEDMO C=CCCCNC(=O)[C@@H]1CC(F)(F)CC[N@H+]1[C@H](C)c1ccccc1 ZINC001187035601 1134293211 /nfs/dbraw/zinc/29/32/11/1134293211.db2.gz BYRGPHNVUFLBOD-WBVHZDCISA-N 1 1 336.426 3.930 20 30 EHEDMO C=CCCCNC(=O)[C@@H]1CC(F)(F)CC[N@@H+]1[C@H](C)c1ccccc1 ZINC001187035601 1134293213 /nfs/dbraw/zinc/29/32/13/1134293213.db2.gz BYRGPHNVUFLBOD-WBVHZDCISA-N 1 1 336.426 3.930 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N2CC[N@H+](CC)C[C@H]2C)c1 ZINC001189268588 1134565631 /nfs/dbraw/zinc/56/56/31/1134565631.db2.gz LKNFRKINCDSJLM-MRXNPFEDSA-N 1 1 329.488 3.690 20 30 EHEDMO COCC[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CC[C@H](C)C1 ZINC000792463479 1134688776 /nfs/dbraw/zinc/68/87/76/1134688776.db2.gz IWUZRGOYCMGKGW-YOEHRIQHSA-N 1 1 336.863 3.879 20 30 EHEDMO CCC[N@@H+](CC(C)C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC001190642528 1134730641 /nfs/dbraw/zinc/73/06/41/1134730641.db2.gz CYUBKWXVGUROJI-SFHVURJKSA-N 1 1 329.488 3.998 20 30 EHEDMO Cc1ccc(C[N@@H+]2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1C#N ZINC001190714175 1134737583 /nfs/dbraw/zinc/73/75/83/1134737583.db2.gz VUJIPZQGIQESDF-SFHVURJKSA-N 1 1 343.471 3.698 20 30 EHEDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC001170354806 1134754137 /nfs/dbraw/zinc/75/41/37/1134754137.db2.gz PLPOKNFHIGLRTI-AWEZNQCLSA-N 1 1 339.395 3.538 20 30 EHEDMO CCN1CC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C(C)(C)C1 ZINC001170398941 1134765230 /nfs/dbraw/zinc/76/52/30/1134765230.db2.gz XBOCAPYRTCSAQS-UHFFFAOYSA-N 1 1 325.500 3.807 20 30 EHEDMO CC[N@@H+]1CCN(C2CCC(C#N)(c3ccccc3)CC2)C(C)(C)C1 ZINC001170398941 1134765236 /nfs/dbraw/zinc/76/52/36/1134765236.db2.gz XBOCAPYRTCSAQS-UHFFFAOYSA-N 1 1 325.500 3.807 20 30 EHEDMO CC[N@H+]1CCN(C2CCC(C#N)(c3ccccc3)CC2)C(C)(C)C1 ZINC001170398941 1134765243 /nfs/dbraw/zinc/76/52/43/1134765243.db2.gz XBOCAPYRTCSAQS-UHFFFAOYSA-N 1 1 325.500 3.807 20 30 EHEDMO C[C@]1(CO)CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170379190 1134766964 /nfs/dbraw/zinc/76/69/64/1134766964.db2.gz SNWIRTHHOXMWOI-KBWCOIMZSA-N 1 1 326.484 3.875 20 30 EHEDMO CCCCCCCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001191068296 1134786074 /nfs/dbraw/zinc/78/60/74/1134786074.db2.gz LZNWCJFCRUELGH-QGZVFWFLSA-N 1 1 333.476 3.913 20 30 EHEDMO CCC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1C[C@H](OCC)C1(C)C ZINC001191099149 1134792692 /nfs/dbraw/zinc/79/26/92/1134792692.db2.gz JEKKKOQKTQATHB-ROUUACIJSA-N 1 1 345.443 3.882 20 30 EHEDMO CCC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1C[C@H](OCC)C1(C)C ZINC001191099149 1134792698 /nfs/dbraw/zinc/79/26/98/1134792698.db2.gz JEKKKOQKTQATHB-ROUUACIJSA-N 1 1 345.443 3.882 20 30 EHEDMO C#Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001191117264 1134795723 /nfs/dbraw/zinc/79/57/23/1134795723.db2.gz YXYHAYUUTHMELY-MZADTFQBSA-N 1 1 344.458 3.593 20 30 EHEDMO C[C@]12CC[N@H+](Cc3cn4ccccc4c3C#N)C[C@H]1C2(Cl)Cl ZINC000792908844 1134820185 /nfs/dbraw/zinc/82/01/85/1134820185.db2.gz MWQYHMCTTSSGIY-CVEARBPZSA-N 1 1 334.250 3.827 20 30 EHEDMO C[C@]12CC[N@@H+](Cc3cn4ccccc4c3C#N)C[C@H]1C2(Cl)Cl ZINC000792908844 1134820190 /nfs/dbraw/zinc/82/01/90/1134820190.db2.gz MWQYHMCTTSSGIY-CVEARBPZSA-N 1 1 334.250 3.827 20 30 EHEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC001191743657 1134916203 /nfs/dbraw/zinc/91/62/03/1134916203.db2.gz VOWSCGDEYNSYPF-RBUKOAKNSA-N 1 1 330.472 3.853 20 30 EHEDMO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc2ccccc2s1 ZINC000793584835 1134963914 /nfs/dbraw/zinc/96/39/14/1134963914.db2.gz SZMNHGDOARKFPT-GFCCVEGCSA-N 1 1 333.420 3.666 20 30 EHEDMO C[Si](C)(C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC001192947883 1135075408 /nfs/dbraw/zinc/07/54/08/1135075408.db2.gz RKRBSBVIMOLTGV-UHFFFAOYSA-N 1 1 332.523 3.802 20 30 EHEDMO Cc1ccc(CNc2nc(Cl)c(C#N)s2)c(N2CCCC2)[nH+]1 ZINC000804606591 1135136397 /nfs/dbraw/zinc/13/63/97/1135136397.db2.gz VHVJOENWWXVCCZ-UHFFFAOYSA-N 1 1 333.848 3.584 20 30 EHEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC001193914286 1135204136 /nfs/dbraw/zinc/20/41/36/1135204136.db2.gz SBOBHFLAVUZFNK-SFHVURJKSA-N 1 1 336.410 3.625 20 30 EHEDMO C=CC[C@H]1[N@H+](CC(=O)Nc2ccc(C(C)=O)cc2)CCCC1(C)C ZINC001193920280 1135204363 /nfs/dbraw/zinc/20/43/63/1135204363.db2.gz LNODDFFVZPTTAU-GOSISDBHSA-N 1 1 328.456 3.894 20 30 EHEDMO C=CC[C@H]1[N@@H+](CC(=O)Nc2ccc(C(C)=O)cc2)CCCC1(C)C ZINC001193920280 1135204367 /nfs/dbraw/zinc/20/43/67/1135204367.db2.gz LNODDFFVZPTTAU-GOSISDBHSA-N 1 1 328.456 3.894 20 30 EHEDMO C=CCOC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC001194343203 1135261452 /nfs/dbraw/zinc/26/14/52/1135261452.db2.gz KLJKXPUDMSYHOI-UHFFFAOYSA-N 1 1 342.361 3.582 20 30 EHEDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC001194682846 1135305718 /nfs/dbraw/zinc/30/57/18/1135305718.db2.gz HDUIMCZGNUKRBS-QINHECLXSA-N 1 1 333.435 3.763 20 30 EHEDMO CC(C)(C)C[C@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1(C)C ZINC001195055520 1135359692 /nfs/dbraw/zinc/35/96/92/1135359692.db2.gz PSSWVVNEHZTIHW-GOSISDBHSA-N 1 1 341.499 3.711 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000775646480 1135401931 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341.499 3.902 20 30 EHEDMO COc1ccc([C@@H](C)C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000775745461 1135619104 /nfs/dbraw/zinc/61/91/04/1135619104.db2.gz VTNFRZVJXZTNIW-KKSFZXQISA-N 1 1 336.435 3.744 20 30 EHEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H](CO)c1ccccc1 ZINC001197254505 1135666396 /nfs/dbraw/zinc/66/63/96/1135666396.db2.gz HGEUTBXETBKMDS-QGZVFWFLSA-N 1 1 346.377 3.715 20 30 EHEDMO CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000775783805 1135724776 /nfs/dbraw/zinc/72/47/76/1135724776.db2.gz VPDIGEQSNLMSIX-APWZRJJASA-N 1 1 327.472 3.671 20 30 EHEDMO C#Cc1ccc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1 ZINC000809608395 1135856748 /nfs/dbraw/zinc/85/67/48/1135856748.db2.gz NIOCSDHFFLRDGQ-UHFFFAOYSA-N 1 1 327.431 3.632 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)CCCN(C)Cc2ccco2)cc1 ZINC000809718613 1135877492 /nfs/dbraw/zinc/87/74/92/1135877492.db2.gz LWFFGIRALSEEBV-QGZVFWFLSA-N 1 1 341.455 3.524 20 30 EHEDMO C=CC[N@H+](Cc1nnc(-c2ccccc2Br)o1)C(C)C ZINC000775993267 1135915287 /nfs/dbraw/zinc/91/52/87/1135915287.db2.gz SLRNNLIJCQCGEU-UHFFFAOYSA-N 1 1 336.233 3.896 20 30 EHEDMO C=CC[N@@H+](Cc1nnc(-c2ccccc2Br)o1)C(C)C ZINC000775993267 1135915290 /nfs/dbraw/zinc/91/52/90/1135915290.db2.gz SLRNNLIJCQCGEU-UHFFFAOYSA-N 1 1 336.233 3.896 20 30 EHEDMO C#CCOc1cccc([C@H](C)OC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)c1 ZINC000810576150 1135977315 /nfs/dbraw/zinc/97/73/15/1135977315.db2.gz LTNSLOIZRVRUCO-YWZLYKJASA-N 1 1 347.430 3.515 20 30 EHEDMO Cc1cc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cnc1C#N ZINC001201474289 1136032415 /nfs/dbraw/zinc/03/24/15/1136032415.db2.gz DOKYGKWTQLVEGR-UXHICEINSA-N 1 1 330.435 3.994 20 30 EHEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001201762179 1136060396 /nfs/dbraw/zinc/06/03/96/1136060396.db2.gz APTKKIOWHAGQBQ-YLJYHZDGSA-N 1 1 329.488 3.727 20 30 EHEDMO CCCCCCC[N@H+]1CCO[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC001201777280 1136065479 /nfs/dbraw/zinc/06/54/79/1136065479.db2.gz VCYAJRUEVMBHAB-FQEVSTJZSA-N 1 1 348.487 3.557 20 30 EHEDMO CCCCCCCC[N@@H+]1CCc2onc(C(=O)N3CCCC3)c2C1 ZINC001201825858 1136067742 /nfs/dbraw/zinc/06/77/42/1136067742.db2.gz GEIIANGEDJXBOF-UHFFFAOYSA-N 1 1 333.476 3.629 20 30 EHEDMO CCCCCCCC[N@H+]1CCc2onc(C(=O)N3CCCC3)c2C1 ZINC001201825858 1136067746 /nfs/dbraw/zinc/06/77/46/1136067746.db2.gz GEIIANGEDJXBOF-UHFFFAOYSA-N 1 1 333.476 3.629 20 30 EHEDMO CCCCCCCCCC[N@H+]1CCCn2cnc(CNC(C)=O)c2C1 ZINC001201874722 1136071776 /nfs/dbraw/zinc/07/17/76/1136071776.db2.gz DPCBIPVCCUACBH-UHFFFAOYSA-N 1 1 348.535 3.866 20 30 EHEDMO C#CCCOc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000811519447 1136098196 /nfs/dbraw/zinc/09/81/96/1136098196.db2.gz XOLDEIDHAWLDPK-PMACEKPBSA-N 1 1 325.452 3.622 20 30 EHEDMO C[C@H](C#N)Oc1ccc(CN2C[C@@H]3CCC[N@H+]3Cc3ccccc32)cc1 ZINC000811508141 1136101518 /nfs/dbraw/zinc/10/15/18/1136101518.db2.gz CDWQEANYWQYBII-XLIONFOSSA-N 1 1 347.462 3.962 20 30 EHEDMO CCC[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000265917948 1136146909 /nfs/dbraw/zinc/14/69/09/1136146909.db2.gz ZGOHDZZVPDUVOB-IPMKNSEASA-N 1 1 328.456 3.614 20 30 EHEDMO Cc1ccc(N2CCC(C(=O)O[C@H](C#N)C3CCCCC3)CC2)[nH+]c1 ZINC000776377994 1136168630 /nfs/dbraw/zinc/16/86/30/1136168630.db2.gz HCVQCBUHCWNAFX-GOSISDBHSA-N 1 1 341.455 3.622 20 30 EHEDMO C=CCCO[C@@H](C)C(=O)OC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000747771671 1136182010 /nfs/dbraw/zinc/18/20/10/1136182010.db2.gz DNHLVTRJTHJAHM-FXAWDEMLSA-N 1 1 331.456 3.566 20 30 EHEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812847643 1136259764 /nfs/dbraw/zinc/25/97/64/1136259764.db2.gz CVKFCELDBWGWQW-IEBWSBKVSA-N 1 1 330.472 3.531 20 30 EHEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812849975 1136261616 /nfs/dbraw/zinc/26/16/16/1136261616.db2.gz SCUMYQHFEKCLOV-DYESRHJHSA-N 1 1 338.451 3.771 20 30 EHEDMO CO[C@@H](C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)C1CCCCC1 ZINC000851882289 1136415489 /nfs/dbraw/zinc/41/54/89/1136415489.db2.gz XZOVBHPASJZUQA-PMACEKPBSA-N 1 1 328.456 3.527 20 30 EHEDMO CO[C@@H](C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)C1CCCCC1 ZINC000851882289 1136415493 /nfs/dbraw/zinc/41/54/93/1136415493.db2.gz XZOVBHPASJZUQA-PMACEKPBSA-N 1 1 328.456 3.527 20 30 EHEDMO C=CC[C@H]1[N@@H+](C[C@H](O)P(=O)(OCC)OCC)CCCC1(C)C ZINC000851988856 1136425231 /nfs/dbraw/zinc/42/52/31/1136425231.db2.gz CVTNONMNKVSYMD-HUUCEWRRSA-N 1 1 333.409 3.638 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000852220118 1136441357 /nfs/dbraw/zinc/44/13/57/1136441357.db2.gz IMTQOWZWTFOFIV-AOIWGVFYSA-N 1 1 325.456 3.505 20 30 EHEDMO Cc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(-c2ccnn2C)c1 ZINC000338946564 1136460628 /nfs/dbraw/zinc/46/06/28/1136460628.db2.gz YSULOWLSYBRYOI-UHFFFAOYSA-N 1 1 330.435 3.899 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@H](CCF)C2)cc1 ZINC000852533430 1136463620 /nfs/dbraw/zinc/46/36/20/1136463620.db2.gz UREFMVPWLFAHRG-QZTJIDSGSA-N 1 1 345.462 3.702 20 30 EHEDMO CC[N@@H+](CCO[C@@H](C)C#N)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000852712933 1136479411 /nfs/dbraw/zinc/47/94/11/1136479411.db2.gz LGPLKDQRTBAVAU-KBPBESRZSA-N 1 1 328.378 3.887 20 30 EHEDMO C#CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814671518 1136492146 /nfs/dbraw/zinc/49/21/46/1136492146.db2.gz CKJBVPRNWFERLG-ZWKOTPCHSA-N 1 1 334.504 3.759 20 30 EHEDMO CC(=[NH+]NCc1cccc2cccnc21)c1cc(F)c(N)c(F)c1 ZINC000814803364 1136511183 /nfs/dbraw/zinc/51/11/83/1136511183.db2.gz DRPFUIJKIFIRRF-UHFFFAOYSA-N 1 1 326.350 3.609 20 30 EHEDMO C#Cc1cccnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000853449326 1136533304 /nfs/dbraw/zinc/53/33/04/1136533304.db2.gz QEJXFOSPXALDCP-LEWJYISDSA-N 1 1 331.463 3.554 20 30 EHEDMO C=CCC(F)(F)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000815008147 1136536680 /nfs/dbraw/zinc/53/66/80/1136536680.db2.gz POKXMLCODSWSED-HNNXBMFYSA-N 1 1 342.817 3.805 20 30 EHEDMO CC1(C)Cc2c(cnn2-c2ccccc2)C[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000854062005 1136584750 /nfs/dbraw/zinc/58/47/50/1136584750.db2.gz ROHPWKSMIDKIFW-QFBILLFUSA-N 1 1 334.467 3.949 20 30 EHEDMO C=CCC(F)(F)C(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000815940786 1136651045 /nfs/dbraw/zinc/65/10/45/1136651045.db2.gz FRHBTSVKKIOTAP-UHFFFAOYSA-N 1 1 330.463 3.804 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000776799387 1136677505 /nfs/dbraw/zinc/67/75/05/1136677505.db2.gz QPLXQKORDQAUIW-YJBOKZPZSA-N 1 1 343.471 3.602 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)CCCCCC#N ZINC000816453882 1136717289 /nfs/dbraw/zinc/71/72/89/1136717289.db2.gz WHJJNWWDRBYPJX-HKUYNNGSSA-N 1 1 328.456 3.914 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)c1ccc(C#N)cc1 ZINC000816452779 1136722939 /nfs/dbraw/zinc/72/29/39/1136722939.db2.gz FYLLHNDWHAKSNG-UZLBHIALSA-N 1 1 334.419 3.626 20 30 EHEDMO N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000817282335 1136791660 /nfs/dbraw/zinc/79/16/60/1136791660.db2.gz ZUSIWAGWQYLEGO-HNNXBMFYSA-N 1 1 326.362 3.992 20 30 EHEDMO CN(C)c1ccc([C@H]([NH3+])CN[C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000817944056 1136849646 /nfs/dbraw/zinc/84/96/46/1136849646.db2.gz XCMRIDHBVSVGKG-YADHBBJMSA-N 1 1 348.494 3.681 20 30 EHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858011089 1136930283 /nfs/dbraw/zinc/93/02/83/1136930283.db2.gz QEEGGHBQIOYATI-HXUWFJFHSA-N 1 1 333.435 3.874 20 30 EHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858011089 1136930286 /nfs/dbraw/zinc/93/02/86/1136930286.db2.gz QEEGGHBQIOYATI-HXUWFJFHSA-N 1 1 333.435 3.874 20 30 EHEDMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)nc1 ZINC000858013035 1136930885 /nfs/dbraw/zinc/93/08/85/1136930885.db2.gz GDTZMMJHAAYQSX-IBGZPJMESA-N 1 1 333.435 3.599 20 30 EHEDMO Cc1ccc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)cc1C#N ZINC000859260345 1137009983 /nfs/dbraw/zinc/00/99/83/1137009983.db2.gz SBUNVBCFSRLRIE-UHFFFAOYSA-N 1 1 342.389 3.629 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1C#N ZINC000859927599 1137037395 /nfs/dbraw/zinc/03/73/95/1137037395.db2.gz MKQRYHMFYPTTDT-HFSMHLIXSA-N 1 1 346.430 3.580 20 30 EHEDMO COCOc1ccc(OC)cc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000822526798 1137062512 /nfs/dbraw/zinc/06/25/12/1137062512.db2.gz XZOXVDYLLGKDGQ-OAHLLOKOSA-N 1 1 340.423 3.743 20 30 EHEDMO COC(=O)c1ccc(C(=[NH2+])Nc2ccc3[nH]c4cccnc4c3c2)cc1 ZINC001170989418 1137063390 /nfs/dbraw/zinc/06/33/90/1137063390.db2.gz UXVZEGLJIZFSLD-UHFFFAOYSA-N 1 1 344.374 3.540 20 30 EHEDMO CCOC[C@@H]1CCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC001171026698 1137112171 /nfs/dbraw/zinc/11/21/71/1137112171.db2.gz UJZPCLALNVQVJX-KRWDZBQOSA-N 1 1 325.374 3.948 20 30 EHEDMO C=C(Br)C[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000823818447 1137114349 /nfs/dbraw/zinc/11/43/49/1137114349.db2.gz AHLBGRQCOKYQBG-UHFFFAOYSA-N 1 1 337.286 3.927 20 30 EHEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1nc3ccccc3s1)C2 ZINC001136953753 1137154642 /nfs/dbraw/zinc/15/46/42/1137154642.db2.gz VQTJREWYWLLHTJ-BEFAXECRSA-N 1 1 344.480 3.622 20 30 EHEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1nc3ccccc3s1)C2 ZINC001136953753 1137154644 /nfs/dbraw/zinc/15/46/44/1137154644.db2.gz VQTJREWYWLLHTJ-BEFAXECRSA-N 1 1 344.480 3.622 20 30 EHEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@H]3C[C@@H](O)c3ccco3)cc2)CC1 ZINC000824928662 1137157900 /nfs/dbraw/zinc/15/79/00/1137157900.db2.gz YAWKGTHQTKZIMD-RBUKOAKNSA-N 1 1 336.435 3.923 20 30 EHEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc([C@@H](C#N)C(C)C)cc1 ZINC001171072593 1137159984 /nfs/dbraw/zinc/15/99/84/1137159984.db2.gz PCDNJOLOMGFHAD-OALUTQOASA-N 1 1 343.471 3.588 20 30 EHEDMO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC001137028216 1137175445 /nfs/dbraw/zinc/17/54/45/1137175445.db2.gz FUPVNNXKYLDDSW-FQEVSTJZSA-N 1 1 334.419 3.632 20 30 EHEDMO C#C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)c1ccc(Cl)cc1F ZINC000843884689 1137186640 /nfs/dbraw/zinc/18/66/40/1137186640.db2.gz UOTHWPMKVLILTH-WBMJQRKESA-N 1 1 347.821 3.680 20 30 EHEDMO N#Cc1cccc(Cl)c1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001143724621 1137194057 /nfs/dbraw/zinc/19/40/57/1137194057.db2.gz YKEUIUMQBIAADZ-UHFFFAOYSA-N 1 1 339.870 3.920 20 30 EHEDMO C[C@@H](CC#N)[N@H+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000844302189 1137210312 /nfs/dbraw/zinc/21/03/12/1137210312.db2.gz FBJDHHVQMWFMRT-HNNXBMFYSA-N 1 1 343.471 3.714 20 30 EHEDMO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000844302189 1137210313 /nfs/dbraw/zinc/21/03/13/1137210313.db2.gz FBJDHHVQMWFMRT-HNNXBMFYSA-N 1 1 343.471 3.714 20 30 EHEDMO CC(C)COc1ccccc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844371421 1137213304 /nfs/dbraw/zinc/21/33/04/1137213304.db2.gz YNWABYWHKOXUHF-FQEVSTJZSA-N 1 1 338.451 3.758 20 30 EHEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@@H]1CCc2c1cccc2Cl ZINC000844367721 1137215940 /nfs/dbraw/zinc/21/59/40/1137215940.db2.gz VFBWEHTYXCCJCM-MOPGFXCFSA-N 1 1 326.827 3.864 20 30 EHEDMO C=CC[C@@H](C)C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001144018577 1137229309 /nfs/dbraw/zinc/22/93/09/1137229309.db2.gz SDJLPDWKXVLMNN-HKUYMTLNSA-N 1 1 328.500 3.620 20 30 EHEDMO C=CCC[C@H](C(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1)c1ccccc1 ZINC001144023773 1137230085 /nfs/dbraw/zinc/23/00/85/1137230085.db2.gz BUQCEMSJEKREIV-OALUTQOASA-N 1 1 328.500 3.925 20 30 EHEDMO N#Cc1cncc(C[NH+]2CCC(Oc3ccc(F)cc3Cl)CC2)c1 ZINC001144080047 1137237268 /nfs/dbraw/zinc/23/72/68/1137237268.db2.gz TVZDMQZLBKJRLW-UHFFFAOYSA-N 1 1 345.805 3.789 20 30 EHEDMO C=CCOCc1ncn2c1C[N@@H+](Cc1cccc(CC)c1)CCC2 ZINC001144321343 1137271930 /nfs/dbraw/zinc/27/19/30/1137271930.db2.gz IEDGRYMKGUXNRJ-UHFFFAOYSA-N 1 1 325.456 3.554 20 30 EHEDMO Cc1nc(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)sc1C ZINC001144378201 1137279261 /nfs/dbraw/zinc/27/92/61/1137279261.db2.gz ZBFHCPUXRPONKQ-KRWDZBQOSA-N 1 1 327.453 3.675 20 30 EHEDMO Cc1nc(C[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)sc1C ZINC001144378201 1137279263 /nfs/dbraw/zinc/27/92/63/1137279263.db2.gz ZBFHCPUXRPONKQ-KRWDZBQOSA-N 1 1 327.453 3.675 20 30 EHEDMO Cc1nc(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)sc1C ZINC001144378296 1137279295 /nfs/dbraw/zinc/27/92/95/1137279295.db2.gz DNUICMWIGSLYHZ-QGZVFWFLSA-N 1 1 327.453 3.675 20 30 EHEDMO Cc1nc(C[N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)sc1C ZINC001144378296 1137279297 /nfs/dbraw/zinc/27/92/97/1137279297.db2.gz DNUICMWIGSLYHZ-QGZVFWFLSA-N 1 1 327.453 3.675 20 30 EHEDMO CCc1[nH+]c(C)cn1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000865392340 1137279454 /nfs/dbraw/zinc/27/94/54/1137279454.db2.gz BJOUPTFPGDTQJD-CQSZACIVSA-N 1 1 342.468 3.787 20 30 EHEDMO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000865625104 1137299951 /nfs/dbraw/zinc/29/99/51/1137299951.db2.gz FILVUGHDDKAEKE-UHFFFAOYSA-N 1 1 339.414 3.594 20 30 EHEDMO C#Cc1ccc(CN2CC[C@]3(CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001144578716 1137310620 /nfs/dbraw/zinc/31/06/20/1137310620.db2.gz KJDUKGLWGMBZOM-HSZRJFAPSA-N 1 1 330.475 3.908 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CC[C@]3(CCCN3Cc3ccccc3)C2)cc1 ZINC001144578716 1137310622 /nfs/dbraw/zinc/31/06/22/1137310622.db2.gz KJDUKGLWGMBZOM-HSZRJFAPSA-N 1 1 330.475 3.908 20 30 EHEDMO C#Cc1ccc(C[N@H+]2CC[C@]3(CCCN3Cc3ccccc3)C2)cc1 ZINC001144578716 1137310623 /nfs/dbraw/zinc/31/06/23/1137310623.db2.gz KJDUKGLWGMBZOM-HSZRJFAPSA-N 1 1 330.475 3.908 20 30 EHEDMO C#Cc1ccc(C[N@@H+](CC)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001144578779 1137310785 /nfs/dbraw/zinc/31/07/85/1137310785.db2.gz PDZOGZYNRJENNO-IBGZPJMESA-N 1 1 342.483 3.747 20 30 EHEDMO C#Cc1ccc(CN2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)cc1 ZINC001144578825 1137310840 /nfs/dbraw/zinc/31/08/40/1137310840.db2.gz QWTVINRZPZWMEI-UHFFFAOYSA-N 1 1 336.454 3.903 20 30 EHEDMO C#Cc1ccc(C[NH+]2CCC(N(C)Cc3cccc(F)c3)CC2)cc1 ZINC001144578825 1137310841 /nfs/dbraw/zinc/31/08/41/1137310841.db2.gz QWTVINRZPZWMEI-UHFFFAOYSA-N 1 1 336.454 3.903 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001144568358 1137311266 /nfs/dbraw/zinc/31/12/66/1137311266.db2.gz RUSSGLUMSNQAPG-VQIMIIECSA-N 1 1 342.483 3.651 20 30 EHEDMO N#CC1(c2ccc(C[NH2+]Cc3ncc(Br)s3)cc2)CC1 ZINC000865850379 1137316491 /nfs/dbraw/zinc/31/64/91/1137316491.db2.gz XDDZVKIVINMPRV-UHFFFAOYSA-N 1 1 348.269 3.751 20 30 EHEDMO C[N@H+](Cc1cnc(C2CCCC2)s1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846007491 1137325235 /nfs/dbraw/zinc/32/52/35/1137325235.db2.gz OAUCXSMUJSGTLP-GOSISDBHSA-N 1 1 341.480 3.838 20 30 EHEDMO C[N@H+](Cc1ccccc1OCC1CC1)C[C@H](O)c1cccc(C#N)c1 ZINC000846006238 1137325310 /nfs/dbraw/zinc/32/53/10/1137325310.db2.gz JNEKSTWWELYOSW-FQEVSTJZSA-N 1 1 336.435 3.512 20 30 EHEDMO CCn1cc(C[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C(C)C)cn1 ZINC000846056287 1137327505 /nfs/dbraw/zinc/32/75/05/1137327505.db2.gz SPAYRIKHNWAELM-MRXNPFEDSA-N 1 1 326.444 3.604 20 30 EHEDMO COC(=O)CC[N@@H+](Cc1ccccc1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171221261 1137346892 /nfs/dbraw/zinc/34/68/92/1137346892.db2.gz JSJOBBDWXBTZLI-KRWDZBQOSA-N 1 1 336.435 3.555 20 30 EHEDMO Cc1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc(C)c1C#N ZINC001148520417 1137426265 /nfs/dbraw/zinc/42/62/65/1137426265.db2.gz RIRSUJNICKKLET-HXUWFJFHSA-N 1 1 347.462 3.522 20 30 EHEDMO C[C@]1(Cc2cccc(F)c2)CCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001171435726 1137482552 /nfs/dbraw/zinc/48/25/52/1137482552.db2.gz NNFDRBXVMVNFIT-NHCUHLMSSA-N 1 1 338.426 3.828 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@H](C#N)C2)C[C@H]1C(C)(C)C ZINC001171612201 1137500326 /nfs/dbraw/zinc/50/03/26/1137500326.db2.gz HCHYLCNVEBWTKN-PMPSAXMXSA-N 1 1 335.492 3.646 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC001171670972 1137503230 /nfs/dbraw/zinc/50/32/30/1137503230.db2.gz NEOFNGQZOVVQFR-CYBMUJFWSA-N 1 1 339.370 3.767 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC001171670972 1137503232 /nfs/dbraw/zinc/50/32/32/1137503232.db2.gz NEOFNGQZOVVQFR-CYBMUJFWSA-N 1 1 339.370 3.767 20 30 EHEDMO Cc1ccc(CC[C@@H](C)[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)cc1 ZINC001171678083 1137503611 /nfs/dbraw/zinc/50/36/11/1137503611.db2.gz BPMUVXOQZSUZCP-LJQANCHMSA-N 1 1 348.494 3.795 20 30 EHEDMO CCCCCCC[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](OCC)C1 ZINC001171750640 1137508324 /nfs/dbraw/zinc/50/83/24/1137508324.db2.gz GJPCCYAIHOVCMK-IAGOWNOFSA-N 1 1 342.524 3.818 20 30 EHEDMO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](CC#N)C1)C2 ZINC001172096305 1137532609 /nfs/dbraw/zinc/53/26/09/1137532609.db2.gz UQWKXJNDPSJGSR-WNRNVDISSA-N 1 1 347.503 3.933 20 30 EHEDMO N#Cc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC001172067313 1137533794 /nfs/dbraw/zinc/53/37/94/1137533794.db2.gz POEQLOFFALNNCK-LDLYASANSA-N 1 1 335.451 3.827 20 30 EHEDMO CCCc1noc([C@H]2CCC[N@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)n1 ZINC001172310242 1137546072 /nfs/dbraw/zinc/54/60/72/1137546072.db2.gz FEJDGTRVRRFVJI-YJBOKZPZSA-N 1 1 338.455 3.704 20 30 EHEDMO CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172319753 1137546764 /nfs/dbraw/zinc/54/67/64/1137546764.db2.gz QXIKFOPGDTUVBK-MRXNPFEDSA-N 1 1 345.487 3.724 20 30 EHEDMO C=CCOC[C@H]1C[N@@H+]([C@@H](CC)CC(C)C)Cc2nnn(CC3CC3)c21 ZINC001172402908 1137555411 /nfs/dbraw/zinc/55/54/11/1137555411.db2.gz PMZRCUNOUASRTG-MSOLQXFVSA-N 1 1 346.519 3.615 20 30 EHEDMO C=CCOC[C@H]1C[N@H+]([C@@H](CC)CC(C)C)Cc2nnn(CC3CC3)c21 ZINC001172402908 1137555412 /nfs/dbraw/zinc/55/54/12/1137555412.db2.gz PMZRCUNOUASRTG-MSOLQXFVSA-N 1 1 346.519 3.615 20 30 EHEDMO Cc1ccc(Br)c(N2CCC(c3[nH]cc[nH+]3)CC2)c1C#N ZINC000872433296 1137580083 /nfs/dbraw/zinc/58/00/83/1137580083.db2.gz JIHOQOSWOZWEGK-UHFFFAOYSA-N 1 1 345.244 3.736 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2csc(-c3ccco3)n2)cc1 ZINC000124843705 1137610927 /nfs/dbraw/zinc/61/09/27/1137610927.db2.gz ZFAKVFPLYGUCHX-CYBMUJFWSA-N 1 1 339.420 3.984 20 30 EHEDMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cnc2c(cnn2C)c1 ZINC000876544154 1137654993 /nfs/dbraw/zinc/65/49/93/1137654993.db2.gz PADBFLBTRILGIE-UHFFFAOYSA-N 1 1 332.860 3.871 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cnc2c(cnn2C)c1 ZINC000876544154 1137654994 /nfs/dbraw/zinc/65/49/94/1137654994.db2.gz PADBFLBTRILGIE-UHFFFAOYSA-N 1 1 332.860 3.871 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)n1 ZINC000876804797 1137662038 /nfs/dbraw/zinc/66/20/38/1137662038.db2.gz UFOUVQSHBKUBCQ-NHCUHLMSSA-N 1 1 335.451 3.822 20 30 EHEDMO C[C@H](CC1(C#N)CCOCC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000876993521 1137667160 /nfs/dbraw/zinc/66/71/60/1137667160.db2.gz JDAWFFAMXTZVCR-GOSISDBHSA-N 1 1 347.547 3.720 20 30 EHEDMO N#CCOc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)cc1 ZINC001137117788 1137673819 /nfs/dbraw/zinc/67/38/19/1137673819.db2.gz GOUXYYWILSOQQS-HLAWJBBLSA-N 1 1 340.467 3.616 20 30 EHEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)cc1 ZINC001137119541 1137674813 /nfs/dbraw/zinc/67/48/13/1137674813.db2.gz UWZGZWCJQMKSNW-KRWDZBQOSA-N 1 1 344.361 3.520 20 30 EHEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(N2CCCC2)cc1 ZINC001137119578 1137674899 /nfs/dbraw/zinc/67/48/99/1137674899.db2.gz XALCWQQWOYVTLX-UHFFFAOYSA-N 1 1 335.451 3.821 20 30 EHEDMO N#Cc1cccc(C[NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)n1 ZINC000877474914 1137677625 /nfs/dbraw/zinc/67/76/25/1137677625.db2.gz JIEFYRQXPRHGKP-AWEZNQCLSA-N 1 1 334.206 3.873 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000877506143 1137678816 /nfs/dbraw/zinc/67/88/16/1137678816.db2.gz PQWPYEJROFNDJA-MRXNPFEDSA-N 1 1 335.492 3.649 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000877672445 1137685179 /nfs/dbraw/zinc/68/51/79/1137685179.db2.gz FEZNXYSKZLCBTH-FCHUYYIVSA-N 1 1 349.478 3.734 20 30 EHEDMO CO[C@]1(C)C[C@H]([N@@H+](C)CC[C@@](C#N)(C(C)=O)c2ccccc2)C1(C)C ZINC000878152068 1137704562 /nfs/dbraw/zinc/70/45/62/1137704562.db2.gz FTYRUPJPRBLERN-CEWLAPEOSA-N 1 1 342.483 3.562 20 30 EHEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000878388911 1137713851 /nfs/dbraw/zinc/71/38/51/1137713851.db2.gz UTMUDWOGFHOXSW-ZBFHGGJFSA-N 1 1 330.476 3.682 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1Cc2ccccc2OC[C@@H]1C)c1ccccc1 ZINC000878399195 1137714173 /nfs/dbraw/zinc/71/41/73/1137714173.db2.gz PBHWVAZMTMECLW-JTSKRJEESA-N 1 1 348.446 3.710 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1Cc2ccccc2OC[C@@H]1C)c1ccccc1 ZINC000878399195 1137714174 /nfs/dbraw/zinc/71/41/74/1137714174.db2.gz PBHWVAZMTMECLW-JTSKRJEESA-N 1 1 348.446 3.710 20 30 EHEDMO C#CCCCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000878756513 1137727363 /nfs/dbraw/zinc/72/73/63/1137727363.db2.gz UWKRIQXEBNNMRS-WGSAOQKQSA-N 1 1 344.455 3.894 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1)c1ccccc1 ZINC000879030204 1137735845 /nfs/dbraw/zinc/73/58/45/1137735845.db2.gz FXCOAAZRADRXBA-RVKKMQEKSA-N 1 1 334.410 3.650 20 30 EHEDMO CC(C)(C)OC(=O)Nc1ccc2c(c1)OCC[N@H+](CCCCC#N)C2 ZINC000879404400 1137746786 /nfs/dbraw/zinc/74/67/86/1137746786.db2.gz NTGLGNHZULWBHQ-UHFFFAOYSA-N 1 1 345.443 3.922 20 30 EHEDMO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879434206 1137747686 /nfs/dbraw/zinc/74/76/86/1137747686.db2.gz FUQXMLROIZGFFU-HNNXBMFYSA-N 1 1 332.407 3.844 20 30 EHEDMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CCc2cccc(C#N)c2)c1C ZINC000879435081 1137747693 /nfs/dbraw/zinc/74/76/93/1137747693.db2.gz VNXAZYKIDLYLEF-QGZVFWFLSA-N 1 1 335.451 3.677 20 30 EHEDMO CCC1(CC)CCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000880095812 1137767975 /nfs/dbraw/zinc/76/79/75/1137767975.db2.gz PTTNWXUXXABJNC-INIZCTEOSA-N 1 1 348.450 3.878 20 30 EHEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880103664 1137768250 /nfs/dbraw/zinc/76/82/50/1137768250.db2.gz WOOAYOBYOZRDAI-NSHDSACASA-N 1 1 335.329 3.831 20 30 EHEDMO CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H](CO)c1ccccc1 ZINC000880462635 1137779281 /nfs/dbraw/zinc/77/92/81/1137779281.db2.gz UNJQOKGZYJBCEO-SFHVURJKSA-N 1 1 344.842 3.798 20 30 EHEDMO Cc1[nH+]ccn1CCCCNc1nccc(Oc2cccc(C#N)c2)n1 ZINC000882014144 1137818895 /nfs/dbraw/zinc/81/88/95/1137818895.db2.gz DWCKQMXKIRGJDY-UHFFFAOYSA-N 1 1 348.410 3.538 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000130463816 1137837627 /nfs/dbraw/zinc/83/76/27/1137837627.db2.gz JVAJESWWDGBOHB-UHFFFAOYSA-N 1 1 329.394 3.947 20 30 EHEDMO CC[N@H+](Cc1ccccc1C)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000131051628 1137845769 /nfs/dbraw/zinc/84/57/69/1137845769.db2.gz KDYNBZDGXNTCJR-UHFFFAOYSA-N 1 1 345.450 3.913 20 30 EHEDMO N#CCCCC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000102400816 1137872969 /nfs/dbraw/zinc/87/29/69/1137872969.db2.gz HEYHJENRPOBRTE-OAHLLOKOSA-N 1 1 328.391 3.749 20 30 EHEDMO C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@@H](C)C[N@H+]1C ZINC000331392890 1137892768 /nfs/dbraw/zinc/89/27/68/1137892768.db2.gz BCMWOTSBTFXHSY-CVEARBPZSA-N 1 1 349.434 3.515 20 30 EHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H]2C)c1C#N ZINC000331418604 1137907569 /nfs/dbraw/zinc/90/75/69/1137907569.db2.gz QRJCKXKJDBRDTA-ZFWWWQNUSA-N 1 1 342.487 3.761 20 30 EHEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(OCc2ccccn2)c1 ZINC000112532458 1137908398 /nfs/dbraw/zinc/90/83/98/1137908398.db2.gz JYSSJGYQBODIOU-IAGOWNOFSA-N 1 1 334.423 3.755 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C(C)C ZINC000332415006 1137943266 /nfs/dbraw/zinc/94/32/66/1137943266.db2.gz PVWCBSQVWCZBET-UHFFFAOYSA-N 1 1 330.476 3.761 20 30 EHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@]4(CC=CCC4)C3)o2)c1 ZINC000333027469 1137953248 /nfs/dbraw/zinc/95/32/48/1137953248.db2.gz BJHSFWGHGYQOIR-HXUWFJFHSA-N 1 1 334.423 3.931 20 30 EHEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000885973318 1138029525 /nfs/dbraw/zinc/02/95/25/1138029525.db2.gz RJMITUGFYDXJNY-XUVXKRRUSA-N 1 1 342.483 3.531 20 30 EHEDMO COc1ccccc1[C@H]1CCCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000885999479 1138031361 /nfs/dbraw/zinc/03/13/61/1138031361.db2.gz JBSCNYCSHPRIOQ-SJLPKXTDSA-N 1 1 328.456 3.667 20 30 EHEDMO CC(C)(C)OC(=O)Nc1ccnc(C[NH2+]Cc2ccc(C#N)s2)c1 ZINC000886265871 1138063054 /nfs/dbraw/zinc/06/30/54/1138063054.db2.gz TYCYETFVDTXWGL-UHFFFAOYSA-N 1 1 344.440 3.652 20 30 EHEDMO N#CC1(C[C@@H](O)C[N@@H+]2CCc3ccc(Cl)c(Cl)c3C2)CCC1 ZINC000886277060 1138063528 /nfs/dbraw/zinc/06/35/28/1138063528.db2.gz FRTQMKVBTOVGNB-CYBMUJFWSA-N 1 1 339.266 3.796 20 30 EHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCc3ccc(Cl)c(Cl)c3C2)CCC1 ZINC000886277060 1138063529 /nfs/dbraw/zinc/06/35/29/1138063529.db2.gz FRTQMKVBTOVGNB-CYBMUJFWSA-N 1 1 339.266 3.796 20 30 EHEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C1 ZINC000072561466 1138105559 /nfs/dbraw/zinc/10/55/59/1138105559.db2.gz IGJDZDSUXACVNO-HUUCEWRRSA-N 1 1 331.485 3.751 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCc1cccs1 ZINC000072800975 1138107734 /nfs/dbraw/zinc/10/77/34/1138107734.db2.gz PCCKYMGRVRWBSB-INIZCTEOSA-N 1 1 341.480 3.558 20 30 EHEDMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000077499204 1138140226 /nfs/dbraw/zinc/14/02/26/1138140226.db2.gz YKLJSQHZINRBLT-UHFFFAOYSA-N 1 1 346.450 3.673 20 30 EHEDMO CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1cccs1 ZINC000078721147 1138151606 /nfs/dbraw/zinc/15/16/06/1138151606.db2.gz MXVKRWQDCLKLOP-UHFFFAOYSA-N 1 1 333.482 3.759 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1cccs1 ZINC000078721147 1138151607 /nfs/dbraw/zinc/15/16/07/1138151607.db2.gz MXVKRWQDCLKLOP-UHFFFAOYSA-N 1 1 333.482 3.759 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@@H+](CCCCC#N)C2 ZINC000886887663 1138166139 /nfs/dbraw/zinc/16/61/39/1138166139.db2.gz BMOBXBMTQJADQT-IBGZPJMESA-N 1 1 335.492 3.793 20 30 EHEDMO COc1cc(F)c([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1OC ZINC000090117382 1138209297 /nfs/dbraw/zinc/20/92/97/1138209297.db2.gz IVXIPNNTYLUZRO-NSHDSACASA-N 1 1 332.350 3.704 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000092594451 1138229882 /nfs/dbraw/zinc/22/98/82/1138229882.db2.gz FJXQSDPPLZVCDA-SFHVURJKSA-N 1 1 341.480 3.671 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000092594451 1138229885 /nfs/dbraw/zinc/22/98/85/1138229885.db2.gz FJXQSDPPLZVCDA-SFHVURJKSA-N 1 1 341.480 3.671 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](CC)CCc2nccs2)cc1OC ZINC000093764583 1138241051 /nfs/dbraw/zinc/24/10/51/1138241051.db2.gz BZSJKWYWFYWPJI-UHFFFAOYSA-N 1 1 332.469 3.781 20 30 EHEDMO C#CCN(C(=O)CCCn1cc[nH+]c1C)[C@@H]1CCCc2ccccc21 ZINC000887234286 1138245260 /nfs/dbraw/zinc/24/52/60/1138245260.db2.gz QWLBMXFCAKFTIJ-HXUWFJFHSA-N 1 1 335.451 3.511 20 30 EHEDMO Cc1ccccc1[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000263661550 1138338615 /nfs/dbraw/zinc/33/86/15/1138338615.db2.gz DRZLTAJKNYIOPF-GOSISDBHSA-N 1 1 333.435 3.685 20 30 EHEDMO COc1cc(C[N@H+](C)Cc2ccc(C#N)s2)c(SC)cc1OC ZINC000130133342 1138437647 /nfs/dbraw/zinc/43/76/47/1138437647.db2.gz CHUBJGKSEUTJFQ-UHFFFAOYSA-N 1 1 348.493 3.991 20 30 EHEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)s2)c(SC)cc1OC ZINC000130133342 1138437650 /nfs/dbraw/zinc/43/76/50/1138437650.db2.gz CHUBJGKSEUTJFQ-UHFFFAOYSA-N 1 1 348.493 3.991 20 30 EHEDMO CCOc1cc(C[N@H+](C)Cc2ccc(C#N)o2)ccc1OC(F)F ZINC000130420332 1138453751 /nfs/dbraw/zinc/45/37/51/1138453751.db2.gz TYGIAQCZNNRLCN-UHFFFAOYSA-N 1 1 336.338 3.783 20 30 EHEDMO CCOc1cc(C[N@@H+](C)Cc2ccc(C#N)o2)ccc1OC(F)F ZINC000130420332 1138453754 /nfs/dbraw/zinc/45/37/54/1138453754.db2.gz TYGIAQCZNNRLCN-UHFFFAOYSA-N 1 1 336.338 3.783 20 30 EHEDMO C=CCC[C@H](NC(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000130909098 1138483608 /nfs/dbraw/zinc/48/36/08/1138483608.db2.gz PLHXUYVRPGPTPY-MJGOQNOKSA-N 1 1 329.488 3.677 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000337756006 1138660178 /nfs/dbraw/zinc/66/01/78/1138660178.db2.gz BLMFAXBRMIHBRV-FXAWDEMLSA-N 1 1 347.462 3.507 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000337756015 1138660426 /nfs/dbraw/zinc/66/04/26/1138660426.db2.gz BLMFAXBRMIHBRV-YLJYHZDGSA-N 1 1 347.462 3.507 20 30 EHEDMO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000889190707 1139175259 /nfs/dbraw/zinc/17/52/59/1139175259.db2.gz PMDWKYUCYQZHMM-AEFFLSMTSA-N 1 1 332.513 3.994 20 30 EHEDMO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000889401184 1139201641 /nfs/dbraw/zinc/20/16/41/1139201641.db2.gz AJBLPBXBIKFPSF-PXNSSMCTSA-N 1 1 326.484 3.902 20 30 EHEDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000174374297 1139417109 /nfs/dbraw/zinc/41/71/09/1139417109.db2.gz KGRLQBSJWUWPHX-HNNXBMFYSA-N 1 1 337.423 3.503 20 30 EHEDMO C[C@H]1C[C@@H](NC(=O)c2ccccc2-c2ccccc2C#N)C[N@H+]1C1CC1 ZINC000177089504 1139597662 /nfs/dbraw/zinc/59/76/62/1139597662.db2.gz AQMBJJYRTPGHES-DOTOQJQBSA-N 1 1 345.446 3.580 20 30 EHEDMO CO[C@@H](C)c1nc(CO[NH+]=C(N)CCCc2ccccc2)cs1 ZINC000177576710 1139627006 /nfs/dbraw/zinc/62/70/06/1139627006.db2.gz FKVQTWLWGPZECP-ZDUSSCGKSA-N 1 1 333.457 3.662 20 30 EHEDMO Cn1cc(C[N@@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)cn1 ZINC000181301054 1139898827 /nfs/dbraw/zinc/89/88/27/1139898827.db2.gz VCYKREGUWQYYBU-UHFFFAOYSA-N 1 1 344.462 3.752 20 30 EHEDMO C=CCOc1ccccc1C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181654711 1139921945 /nfs/dbraw/zinc/92/19/45/1139921945.db2.gz WLSPQDGCXHPBJO-SJORKVTESA-N 1 1 342.483 3.634 20 30 EHEDMO Cn1ccnc1[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000183337067 1140030649 /nfs/dbraw/zinc/03/06/49/1140030649.db2.gz DJKVODBOABSRKF-INIZCTEOSA-N 1 1 333.357 3.531 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000183755506 1140057077 /nfs/dbraw/zinc/05/70/77/1140057077.db2.gz ZKDVRMZQJXYMCU-BZNIZROVSA-N 1 1 342.270 3.698 20 30 EHEDMO C[C@@H]1CCSCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000191812435 1140486383 /nfs/dbraw/zinc/48/63/83/1140486383.db2.gz MADHIGDAILYSHN-MRXNPFEDSA-N 1 1 340.496 3.791 20 30 EHEDMO C[C@H](O)[C@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193095203 1140563382 /nfs/dbraw/zinc/56/33/82/1140563382.db2.gz HPKANSBZCKYECY-OALUTQOASA-N 1 1 334.463 3.589 20 30 EHEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000268023924 1140868187 /nfs/dbraw/zinc/86/81/87/1140868187.db2.gz JZOKTUHUHBCTIK-QGZVFWFLSA-N 1 1 337.398 3.515 20 30 EHEDMO C[C@@H](c1cccc(NCc2ccc(C#N)s2)c1)[NH+]1CCOCC1 ZINC000269313886 1141092197 /nfs/dbraw/zinc/09/21/97/1141092197.db2.gz KZRYOFYNKXFQHB-AWEZNQCLSA-N 1 1 327.453 3.625 20 30 EHEDMO CC1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cn2)CC1 ZINC000269437837 1141109040 /nfs/dbraw/zinc/10/90/40/1141109040.db2.gz RUFMDUQQMNPMHX-UHFFFAOYSA-N 1 1 338.430 3.618 20 30 EHEDMO C=C(C)[C@@H](CC(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2)OCC ZINC000271027693 1141296051 /nfs/dbraw/zinc/29/60/51/1141296051.db2.gz LETMQRFUVMWOSB-LJQANCHMSA-N 1 1 330.472 3.968 20 30 EHEDMO Cc1nsc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1C#N ZINC000283402478 1141618849 /nfs/dbraw/zinc/61/88/49/1141618849.db2.gz AJKHVRYCQNYXEJ-UHFFFAOYSA-N 1 1 348.422 3.678 20 30 EHEDMO Cc1sc(NC(=O)C[N@@H+](C)Cc2ccc(C)cc2)c(C#N)c1C ZINC000098072181 219078549 /nfs/dbraw/zinc/07/85/49/219078549.db2.gz RKMAFCDCAJBJFM-UHFFFAOYSA-N 1 1 327.453 3.616 20 30 EHEDMO Cc1sc(NC(=O)C[N@H+](C)Cc2ccc(C)cc2)c(C#N)c1C ZINC000098072181 219078552 /nfs/dbraw/zinc/07/85/52/219078552.db2.gz RKMAFCDCAJBJFM-UHFFFAOYSA-N 1 1 327.453 3.616 20 30 EHEDMO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000037143006 213134347 /nfs/dbraw/zinc/13/43/47/213134347.db2.gz JPOCNFJUDJCDIK-UHFFFAOYSA-N 1 1 347.462 3.523 20 30 EHEDMO Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000037143006 213134349 /nfs/dbraw/zinc/13/43/49/213134349.db2.gz JPOCNFJUDJCDIK-UHFFFAOYSA-N 1 1 347.462 3.523 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001573341960 947535388 /nfs/dbraw/zinc/53/53/88/947535388.db2.gz RWOPKEGPKUEIEZ-INIZCTEOSA-N 1 1 333.439 3.658 20 30 EHEDMO N#CCc1cccc(C(=O)O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000183175424 1125462618 /nfs/dbraw/zinc/46/26/18/1125462618.db2.gz WNEKQLFSXYMWKC-HXUWFJFHSA-N 1 1 334.419 3.574 20 30 EHEDMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135204020 1032087032 /nfs/dbraw/zinc/08/70/32/1032087032.db2.gz IPAKLTAZBULRJI-MRXNPFEDSA-N 1 1 343.471 3.587 20 30 EHEDMO C=CCCCCNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000274580686 1014276799 /nfs/dbraw/zinc/27/67/99/1014276799.db2.gz JDXFBPLCFXZDCB-INIZCTEOSA-N 1 1 331.460 3.558 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000274668609 1014503848 /nfs/dbraw/zinc/50/38/48/1014503848.db2.gz XSJPHWKIGCUYDB-SNVBAGLBSA-N 1 1 341.358 3.915 20 30 EHEDMO CC(C)CC[N@H+](CCC#N)C[C@@H](O)COc1cccc2ccccc21 ZINC000484920769 1032099827 /nfs/dbraw/zinc/09/98/27/1032099827.db2.gz GQKMMIWPDJJGBM-LJQANCHMSA-N 1 1 340.467 3.841 20 30 EHEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)COc1cccc2ccccc21 ZINC000484920769 1032099843 /nfs/dbraw/zinc/09/98/43/1032099843.db2.gz GQKMMIWPDJJGBM-LJQANCHMSA-N 1 1 340.467 3.841 20 30 EHEDMO CC(C)(C)c1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000430189903 1014711720 /nfs/dbraw/zinc/71/17/20/1014711720.db2.gz ZUYJFWOKQBHDMX-OAHLLOKOSA-N 1 1 341.480 3.966 20 30 EHEDMO CCOC(=O)c1cc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)[nH]c1C ZINC000449043525 1032115728 /nfs/dbraw/zinc/11/57/28/1032115728.db2.gz YDVMITXQEKANBU-UHFFFAOYSA-N 1 1 349.434 3.661 20 30 EHEDMO CCOC(=O)c1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)[nH]c1C ZINC000449043525 1032115731 /nfs/dbraw/zinc/11/57/31/1032115731.db2.gz YDVMITXQEKANBU-UHFFFAOYSA-N 1 1 349.434 3.661 20 30 EHEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000183101421 1032131032 /nfs/dbraw/zinc/13/10/32/1032131032.db2.gz YEYYFDKUJIUVKU-JKSUJKDBSA-N 1 1 341.455 3.571 20 30 EHEDMO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(F)cc1Cl)CC2 ZINC001204436474 1015897631 /nfs/dbraw/zinc/89/76/31/1015897631.db2.gz FZJOQNXWIRBXSH-UHFFFAOYSA-N 1 1 336.838 3.622 20 30 EHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cc(C#N)c[nH]2)c1 ZINC000175350053 1016031170 /nfs/dbraw/zinc/03/11/70/1016031170.db2.gz HYSARXQQBMWTMK-UHFFFAOYSA-N 1 1 333.395 3.507 20 30 EHEDMO COC[C@H](C)N(Cc1cccc(OC)c1)c1[nH+]c(C)ccc1CC#N ZINC001167120945 1016150704 /nfs/dbraw/zinc/15/07/04/1016150704.db2.gz XRYSSUGZRSZMCH-INIZCTEOSA-N 1 1 339.439 3.506 20 30 EHEDMO C=CCCCCCCC[N@H+]1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001209439778 1016289174 /nfs/dbraw/zinc/28/91/74/1016289174.db2.gz YYBBISHZGNKBML-AQNXPRMDSA-N 1 1 348.531 3.757 20 30 EHEDMO CCC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCc2ccccc21 ZINC001167206385 1016582249 /nfs/dbraw/zinc/58/22/49/1016582249.db2.gz PKBGUXFWUKRMMR-FQEVSTJZSA-N 1 1 333.435 3.896 20 30 EHEDMO N#Cc1ccc(F)cc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160281933 1016875346 /nfs/dbraw/zinc/87/53/46/1016875346.db2.gz LAGSYBRLYABWON-IBGZPJMESA-N 1 1 340.398 3.584 20 30 EHEDMO N#Cc1ccc(F)cc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160281933 1016875367 /nfs/dbraw/zinc/87/53/67/1016875367.db2.gz LAGSYBRLYABWON-IBGZPJMESA-N 1 1 340.398 3.584 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc(CCc2ccc(OC(F)F)cc2)no1 ZINC000904615953 1032162584 /nfs/dbraw/zinc/16/25/84/1032162584.db2.gz VTBQMGFMCIPZAL-AWEZNQCLSA-N 1 1 337.370 3.812 20 30 EHEDMO CCCCCCCC[C@@H]([NH3+])c1nc([C@H]2CCCN(C(C)=O)C2)no1 ZINC000904613837 1032163234 /nfs/dbraw/zinc/16/32/34/1032163234.db2.gz AXEBEQCQQJMYNR-JKSUJKDBSA-N 1 1 336.480 3.546 20 30 EHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000184094058 1032253500 /nfs/dbraw/zinc/25/35/00/1032253500.db2.gz CGUMTZVCTCCDQR-SNVBAGLBSA-N 1 1 333.176 3.832 20 30 EHEDMO C#CC[N@@H+](CC(=O)N[C@H](C)c1cccs1)[C@H]1CCc2ccccc21 ZINC000255588175 1032276937 /nfs/dbraw/zinc/27/69/37/1032276937.db2.gz MJNZVNPDQPVLMF-QAPCUYQASA-N 1 1 338.476 3.548 20 30 EHEDMO C#CC[N@H+](CC(=O)N[C@H](C)c1cccs1)[C@H]1CCc2ccccc21 ZINC000255588175 1032276954 /nfs/dbraw/zinc/27/69/54/1032276954.db2.gz MJNZVNPDQPVLMF-QAPCUYQASA-N 1 1 338.476 3.548 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000536984741 1032461319 /nfs/dbraw/zinc/46/13/19/1032461319.db2.gz PYMXCXUBCBVZSG-JTDSTZFVSA-N 1 1 338.499 3.674 20 30 EHEDMO C[C@@H]1C[C@@H](NCc2ccc(-c3ccccc3C#N)cc2)C[N@@H+]1C1CC1 ZINC000537012222 1032482101 /nfs/dbraw/zinc/48/21/01/1032482101.db2.gz JEONRGKLCZLJJT-OXQOHEQNSA-N 1 1 331.463 3.940 20 30 EHEDMO C[C@@H]1C[C@@H](NCc2ccc(-c3ccccc3C#N)cc2)C[N@H+]1C1CC1 ZINC000537012222 1032482104 /nfs/dbraw/zinc/48/21/04/1032482104.db2.gz JEONRGKLCZLJJT-OXQOHEQNSA-N 1 1 331.463 3.940 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)C[C@H]1CCCCO1 ZINC000329807730 1032507274 /nfs/dbraw/zinc/50/72/74/1032507274.db2.gz AJSLGNOOJJCNOP-QWHCGFSZSA-N 1 1 347.484 3.586 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)C[C@H]1CCCCO1 ZINC000329807730 1032507279 /nfs/dbraw/zinc/50/72/79/1032507279.db2.gz AJSLGNOOJJCNOP-QWHCGFSZSA-N 1 1 347.484 3.586 20 30 EHEDMO Cn1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C(C)(C)C)n1 ZINC000537203365 1032566431 /nfs/dbraw/zinc/56/64/31/1032566431.db2.gz YZMFZGDFIIMIEW-UHFFFAOYSA-N 1 1 334.467 3.879 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc(OC)c1O ZINC000449458840 1032575713 /nfs/dbraw/zinc/57/57/13/1032575713.db2.gz WWRUTDNTVQULFJ-GUDVDZBRSA-N 1 1 345.483 3.645 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c(C(F)(F)F)c1 ZINC000449465385 1032615371 /nfs/dbraw/zinc/61/53/71/1032615371.db2.gz CPQJREDJTCKLOY-OIISXLGYSA-N 1 1 338.373 3.702 20 30 EHEDMO C[N@H+]1CC[C@@H](CC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000602097875 1032640584 /nfs/dbraw/zinc/64/05/84/1032640584.db2.gz QMDSIZNTJRNDBD-INIZCTEOSA-N 1 1 335.407 3.631 20 30 EHEDMO N#Cc1cc(F)ccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000377124204 1017354272 /nfs/dbraw/zinc/35/42/72/1017354272.db2.gz DCXPUMABWBNVLY-HKBOAZHASA-N 1 1 336.410 3.702 20 30 EHEDMO C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 ZINC000472677841 1017423493 /nfs/dbraw/zinc/42/34/93/1017423493.db2.gz NGIRUOKNCAIDQI-OALUTQOASA-N 1 1 347.499 3.818 20 30 EHEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c(C#N)cnc3c(F)ccc(F)c32)C1 ZINC000610282669 1017619976 /nfs/dbraw/zinc/61/99/76/1017619976.db2.gz GZKYQXUPKUUMEF-ZDUSSCGKSA-N 1 1 344.409 3.553 20 30 EHEDMO C=C(C)C[N@@H+](CC)Cc1cc(OC)c(OC)cc1Br ZINC000215895858 1017645943 /nfs/dbraw/zinc/64/59/43/1017645943.db2.gz MKWYWMSQGPJPNP-UHFFFAOYSA-N 1 1 328.250 3.864 20 30 EHEDMO C=C(C)C[N@H+](CC)Cc1cc(OC)c(OC)cc1Br ZINC000215895858 1017645946 /nfs/dbraw/zinc/64/59/46/1017645946.db2.gz MKWYWMSQGPJPNP-UHFFFAOYSA-N 1 1 328.250 3.864 20 30 EHEDMO CCCCCCCCC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000377450652 1017834373 /nfs/dbraw/zinc/83/43/73/1017834373.db2.gz DPXZFZRVHAPBOR-UHFFFAOYSA-N 1 1 328.460 3.943 20 30 EHEDMO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@H]2C2CC2)sc2c1CCCCC2 ZINC000609133473 1017890515 /nfs/dbraw/zinc/89/05/15/1017890515.db2.gz AHSDZNLEWGRSHQ-INIZCTEOSA-N 1 1 343.496 3.702 20 30 EHEDMO N#Cc1c(NC(=O)C[N@H+]2CCC[C@H]2C2CC2)sc2c1CCCCC2 ZINC000609133473 1017890531 /nfs/dbraw/zinc/89/05/31/1017890531.db2.gz AHSDZNLEWGRSHQ-INIZCTEOSA-N 1 1 343.496 3.702 20 30 EHEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000574169481 1032747936 /nfs/dbraw/zinc/74/79/36/1032747936.db2.gz IGFDILCUISPFPF-HNNXBMFYSA-N 1 1 349.434 3.939 20 30 EHEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(C)c(F)c(C)c1)C2 ZINC001143379739 1018247377 /nfs/dbraw/zinc/24/73/77/1018247377.db2.gz VHEGGJWLOJKDLS-UYAOXDASSA-N 1 1 333.447 3.769 20 30 EHEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc(C(C)(C)O)cc3)sc2C1 ZINC001210616260 1018455080 /nfs/dbraw/zinc/45/50/80/1018455080.db2.gz DXPMJGLZOHOKPK-UHFFFAOYSA-N 1 1 327.453 3.579 20 30 EHEDMO CC1(C)[C@@H](c2cccc(F)c2)CC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000528767365 1032771783 /nfs/dbraw/zinc/77/17/83/1032771783.db2.gz JZEAASZCABPEDS-UXHICEINSA-N 1 1 338.426 3.999 20 30 EHEDMO CC[C@@H]([NH2+]Cc1ccn(-c2ccc(OC)cc2)n1)c1ccc(C#N)cc1 ZINC000365736066 1018580502 /nfs/dbraw/zinc/58/05/02/1018580502.db2.gz MTXSBGOBACEYSK-OAQYLSRUSA-N 1 1 346.434 3.993 20 30 EHEDMO C=CC[C@H](CC)NC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000543997912 1018820988 /nfs/dbraw/zinc/82/09/88/1018820988.db2.gz FCMSOSUHEZMMLT-SXLOBPIMSA-N 1 1 343.515 3.941 20 30 EHEDMO C=CC[N@H+](CCOc1ccccc1OC)Cc1ccc(OC)cc1 ZINC000614354716 1018834337 /nfs/dbraw/zinc/83/43/37/1018834337.db2.gz ADWNICPXINFCIW-UHFFFAOYSA-N 1 1 327.424 3.771 20 30 EHEDMO C[C@@H]1C[C@H](Nc2c(C#N)nnc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000397978209 1018942110 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3.754 20 30 EHEDMO CCC[N@@H+](Cc1cnc2nc(C)cc(C)n12)Cc1ccc(C#N)cc1 ZINC000119261905 1019801803 /nfs/dbraw/zinc/80/18/03/1019801803.db2.gz PUHIOULBXCIOON-UHFFFAOYSA-N 1 1 333.439 3.630 20 30 EHEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1O ZINC000580659019 1019806649 /nfs/dbraw/zinc/80/66/49/1019806649.db2.gz KHVMOZSHZJHDJU-ZBFHGGJFSA-N 1 1 340.389 3.806 20 30 EHEDMO CC[C@](C)(C#N)C(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000598030036 1032862380 /nfs/dbraw/zinc/86/23/80/1032862380.db2.gz SDJFKRSEOKMYKQ-GOSISDBHSA-N 1 1 342.468 3.769 20 30 EHEDMO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1NC(C)=O ZINC000177860121 1020277494 /nfs/dbraw/zinc/27/74/94/1020277494.db2.gz HZYHQVYQRZZGGP-LBPRGKRZSA-N 1 1 341.386 3.515 20 30 EHEDMO CC[N@@H+](Cc1cnc(CCOC)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000602444154 1032891808 /nfs/dbraw/zinc/89/18/08/1032891808.db2.gz MORVDEGTBKTBJU-CQSZACIVSA-N 1 1 329.469 3.787 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC1(c2cccc(C#N)c2)CC1 ZINC000581062535 1020390168 /nfs/dbraw/zinc/39/01/68/1020390168.db2.gz HSMJRZCUJIHLFQ-DYESRHJHSA-N 1 1 331.463 3.657 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1(c2cccc(C#N)c2)CC1 ZINC000581062535 1020390178 /nfs/dbraw/zinc/39/01/78/1020390178.db2.gz HSMJRZCUJIHLFQ-DYESRHJHSA-N 1 1 331.463 3.657 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000280510156 1020448490 /nfs/dbraw/zinc/44/84/90/1020448490.db2.gz BTVOFQXMYCSTFW-VQIMIIECSA-N 1 1 333.435 3.604 20 30 EHEDMO C[N@@H+]1CCC[C@@H](CNCc2ccc(C#N)s2)[C@H]1c1cccs1 ZINC000247324648 1020526007 /nfs/dbraw/zinc/52/60/07/1020526007.db2.gz LTTCMBKOEGFOKA-GUYCJALGSA-N 1 1 331.510 3.854 20 30 EHEDMO C[N@H+]1CCC[C@@H](CNCc2ccc(C#N)s2)[C@H]1c1cccs1 ZINC000247324648 1020526010 /nfs/dbraw/zinc/52/60/10/1020526010.db2.gz LTTCMBKOEGFOKA-GUYCJALGSA-N 1 1 331.510 3.854 20 30 EHEDMO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000581313808 1020667336 /nfs/dbraw/zinc/66/73/36/1020667336.db2.gz SJTSTLIHIOSFEW-GXFFZTMASA-N 1 1 327.306 3.629 20 30 EHEDMO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000581313808 1020667340 /nfs/dbraw/zinc/66/73/40/1020667340.db2.gz SJTSTLIHIOSFEW-GXFFZTMASA-N 1 1 327.306 3.629 20 30 EHEDMO COc1ccc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)cc1C#N ZINC000135103284 1020766529 /nfs/dbraw/zinc/76/65/29/1020766529.db2.gz IAQZZUMVLJDLPR-LJQANCHMSA-N 1 1 336.435 3.606 20 30 EHEDMO C=C[C@](C)(CC)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000276161229 1020778584 /nfs/dbraw/zinc/77/85/84/1020778584.db2.gz QEVMXFACJVTOMC-OAQYLSRUSA-N 1 1 326.484 3.638 20 30 EHEDMO Cc1sc(NC(=O)C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)c(C#N)c1C ZINC000246429576 1020783331 /nfs/dbraw/zinc/78/33/31/1020783331.db2.gz SWOXVAFGHBDZCP-DIOULYMOSA-N 1 1 331.485 3.828 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505348 1020854626 /nfs/dbraw/zinc/85/46/26/1020854626.db2.gz HSOXAVFKMXIUFC-QGZVFWFLSA-N 1 1 326.371 3.532 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505348 1020854635 /nfs/dbraw/zinc/85/46/35/1020854635.db2.gz HSOXAVFKMXIUFC-QGZVFWFLSA-N 1 1 326.371 3.532 20 30 EHEDMO COc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1C#N ZINC000135166005 1020860986 /nfs/dbraw/zinc/86/09/86/1020860986.db2.gz PGVPQZIKJBJBHI-UHFFFAOYSA-N 1 1 337.379 3.640 20 30 EHEDMO CCc1ccc([C@@H](C)C(=O)NC2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000328786409 1020920110 /nfs/dbraw/zinc/92/01/10/1020920110.db2.gz WPQDRYAKFSKDNI-OAHLLOKOSA-N 1 1 340.471 3.712 20 30 EHEDMO C[C@@H]([NH2+]Cc1nnn(-c2ccccc2)c1C1CC1)c1ccc(C#N)cc1 ZINC000602512535 1032948258 /nfs/dbraw/zinc/94/82/58/1032948258.db2.gz YXKAQAXQIUUBJZ-OAHLLOKOSA-N 1 1 343.434 3.867 20 30 EHEDMO C=CCc1cccc(C(C)C)c1NC(=O)NCC[NH+]1CCSCC1 ZINC000276383695 1021138488 /nfs/dbraw/zinc/13/84/88/1021138488.db2.gz GYQGJNKBXVDPNP-UHFFFAOYSA-N 1 1 347.528 3.709 20 30 EHEDMO C=CCC[N@@H+](C)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000276392955 1021164918 /nfs/dbraw/zinc/16/49/18/1021164918.db2.gz JLAWPAFBTCSXMP-UHFFFAOYSA-N 1 1 329.469 3.641 20 30 EHEDMO C=CCC[N@H+](C)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000276392955 1021164922 /nfs/dbraw/zinc/16/49/22/1021164922.db2.gz JLAWPAFBTCSXMP-UHFFFAOYSA-N 1 1 329.469 3.641 20 30 EHEDMO N#Cc1cccc(CNCc2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC000602527093 1032962909 /nfs/dbraw/zinc/96/29/09/1032962909.db2.gz YFYUSBJPDBUDCB-UHFFFAOYSA-N 1 1 334.467 3.619 20 30 EHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)oc(=O)n2C ZINC000507420850 1021251333 /nfs/dbraw/zinc/25/13/33/1021251333.db2.gz CADWCPCNWLUWSN-UHFFFAOYSA-N 1 1 349.434 3.661 20 30 EHEDMO CCCCCCCC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001270134526 1021284533 /nfs/dbraw/zinc/28/45/33/1021284533.db2.gz OCTKRQAEORUGEH-HXUWFJFHSA-N 1 1 346.519 3.585 20 30 EHEDMO CCN1CCC[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000507580548 1021370286 /nfs/dbraw/zinc/37/02/86/1021370286.db2.gz OWSHFNNOWKLWMG-PELRDEGISA-N 1 1 325.500 3.712 20 30 EHEDMO C[C@@H](c1cccc(NCc2cccc(F)c2C#N)c1)[NH+]1CCOCC1 ZINC000427432495 1021396939 /nfs/dbraw/zinc/39/69/39/1021396939.db2.gz VAICKRWSGGGNBB-HNNXBMFYSA-N 1 1 339.414 3.703 20 30 EHEDMO CC[C@@H]1CCCCN1C(=O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000507715432 1021467727 /nfs/dbraw/zinc/46/77/27/1021467727.db2.gz DLBZGBMQCHBJHU-QFBILLFUSA-N 1 1 327.472 3.732 20 30 EHEDMO CCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc[nH]1 ZINC001270164230 1021499782 /nfs/dbraw/zinc/49/97/82/1021499782.db2.gz RMWBVJLKNATLJT-KDURUIRLSA-N 1 1 331.504 3.941 20 30 EHEDMO CCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc[nH]1 ZINC001270164230 1021499787 /nfs/dbraw/zinc/49/97/87/1021499787.db2.gz RMWBVJLKNATLJT-KDURUIRLSA-N 1 1 331.504 3.941 20 30 EHEDMO CC[N@@H+](CCc1cccs1)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000426405606 1021512629 /nfs/dbraw/zinc/51/26/29/1021512629.db2.gz RQLVMOPJJRQAFE-UHFFFAOYSA-N 1 1 347.509 3.801 20 30 EHEDMO COc1sc(C[NH2+]CC2(C#N)CCCC2)cc1Br ZINC000593652653 1032996698 /nfs/dbraw/zinc/99/66/98/1032996698.db2.gz FQBLMQYKEIQSAF-UHFFFAOYSA-N 1 1 329.263 3.693 20 30 EHEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)[C@H](C)Cc1ccsc1 ZINC000426472450 1021673597 /nfs/dbraw/zinc/67/35/97/1021673597.db2.gz BQNOBWPCNSDODM-OAHLLOKOSA-N 1 1 344.480 3.960 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H](C)Cc1ccsc1 ZINC000426479042 1021684813 /nfs/dbraw/zinc/68/48/13/1021684813.db2.gz HEGASKGNRNQBEJ-HNNXBMFYSA-N 1 1 341.480 3.901 20 30 EHEDMO COc1cc(C[NH2+]CC2(C#N)CCCC2)ccc1OCC(F)(F)F ZINC000593650106 1032996829 /nfs/dbraw/zinc/99/68/29/1032996829.db2.gz PZRGFLRUBJNOIE-UHFFFAOYSA-N 1 1 342.361 3.810 20 30 EHEDMO Cc1cccc(C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC(C)C)c1 ZINC000520173526 1021987471 /nfs/dbraw/zinc/98/74/71/1021987471.db2.gz OFVCSMSHYIGGEC-HXUWFJFHSA-N 1 1 329.488 3.508 20 30 EHEDMO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000506788397 1022009602 /nfs/dbraw/zinc/00/96/02/1022009602.db2.gz OFISJDUANBQESU-UHFFFAOYSA-N 1 1 339.414 3.937 20 30 EHEDMO OCC[N@@H+](CC#Cc1ccccc1Cl)[C@H]1CCc2ccccc21 ZINC000441167157 1022028429 /nfs/dbraw/zinc/02/84/29/1022028429.db2.gz HREZCMRRAGZELI-FQEVSTJZSA-N 1 1 325.839 3.673 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCN(C/C=C\c3ccc(F)cc3)CC2)cc1 ZINC000506098056 1022046705 /nfs/dbraw/zinc/04/67/05/1022046705.db2.gz CWDGSWUDKAJUGM-UPHRSURJSA-N 1 1 335.426 3.528 20 30 EHEDMO N#Cc1ccc(CN2CC[NH+](C/C=C\c3ccc(F)cc3)CC2)cc1 ZINC000506098056 1022046722 /nfs/dbraw/zinc/04/67/22/1022046722.db2.gz CWDGSWUDKAJUGM-UPHRSURJSA-N 1 1 335.426 3.528 20 30 EHEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000127333931 1022129018 /nfs/dbraw/zinc/12/90/18/1022129018.db2.gz HHQSSEMHYDRTHU-INIZCTEOSA-N 1 1 340.448 3.866 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000127333931 1022129029 /nfs/dbraw/zinc/12/90/29/1022129029.db2.gz HHQSSEMHYDRTHU-INIZCTEOSA-N 1 1 340.448 3.866 20 30 EHEDMO C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000506129835 1022137791 /nfs/dbraw/zinc/13/77/91/1022137791.db2.gz DKKYWXHXNUHCDJ-IRXDYDNUSA-N 1 1 347.462 3.746 20 30 EHEDMO C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000506129835 1022137794 /nfs/dbraw/zinc/13/77/94/1022137794.db2.gz DKKYWXHXNUHCDJ-IRXDYDNUSA-N 1 1 347.462 3.746 20 30 EHEDMO CCOc1ccccc1CN1CC[N@@H+](CCCC(C)(C)C#N)[C@@H](C)C1 ZINC000441390660 1022208161 /nfs/dbraw/zinc/20/81/61/1022208161.db2.gz YBQOZZWFLMKSQO-SFHVURJKSA-N 1 1 343.515 3.921 20 30 EHEDMO CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)CCC2 ZINC000135335516 1022279715 /nfs/dbraw/zinc/27/97/15/1022279715.db2.gz RYGAMRYMPSVINP-NHCUHLMSSA-N 1 1 347.462 3.875 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(Br)cc1NC(C)=O)C(C)C ZINC000891675317 1022280663 /nfs/dbraw/zinc/28/06/63/1022280663.db2.gz SFBWHOPERYVOCQ-UHFFFAOYSA-N 1 1 325.250 3.804 20 30 EHEDMO CCC[N@@H+](Cc1cccc(C#N)n1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000602650647 1033040343 /nfs/dbraw/zinc/04/03/43/1033040343.db2.gz FICXTNGETFQBJB-INIZCTEOSA-N 1 1 336.439 3.583 20 30 EHEDMO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000471816998 1022378503 /nfs/dbraw/zinc/37/85/03/1022378503.db2.gz RJDQEXCERWJJSE-HXUWFJFHSA-N 1 1 343.515 3.895 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H](O)C2CCCCC2)C1 ZINC000328606204 1022449273 /nfs/dbraw/zinc/44/92/73/1022449273.db2.gz KFWBNQZKIFDVPT-AYOQOUSVSA-N 1 1 330.472 3.720 20 30 EHEDMO N#Cc1cccc(OC2CC[NH+](Cc3cnn(C4CCC4)c3)CC2)c1 ZINC000891722011 1022460457 /nfs/dbraw/zinc/46/04/57/1022460457.db2.gz MYARZIHNEMGDJC-UHFFFAOYSA-N 1 1 336.439 3.523 20 30 EHEDMO N#C[C@@H]1CC[C@H](N2CCCC3(CCC[N@@H+]([C@H]4CC[C@@H](C#N)C4)C3)C2)C1 ZINC000328784797 1022499883 /nfs/dbraw/zinc/49/98/83/1022499883.db2.gz OALGJEWVCXTEAF-AUGMSIGLSA-N 1 1 340.515 3.549 20 30 EHEDMO N#C[C@@H]1CC[C@H](N2CCCC3(CCC[N@H+]([C@H]4CC[C@@H](C#N)C4)C3)C2)C1 ZINC000328784797 1022499890 /nfs/dbraw/zinc/49/98/90/1022499890.db2.gz OALGJEWVCXTEAF-AUGMSIGLSA-N 1 1 340.515 3.549 20 30 EHEDMO Cc1cccnc1OC1CC[NH+](CC(=O)NC2CCCCCC2)CC1 ZINC000328896798 1022529323 /nfs/dbraw/zinc/52/93/23/1022529323.db2.gz XCPTWXVVGOQAFK-UHFFFAOYSA-N 1 1 345.487 3.913 20 30 EHEDMO C=C[C@H]1CCCCN1C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000426013429 1022668829 /nfs/dbraw/zinc/66/88/29/1022668829.db2.gz OAQNNZCZUFMUSF-HKUYNNGSSA-N 1 1 329.488 3.647 20 30 EHEDMO Cc1cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000506244448 1022698557 /nfs/dbraw/zinc/69/85/57/1022698557.db2.gz AWNWIFYWMASLOE-UHFFFAOYSA-N 1 1 337.442 3.714 20 30 EHEDMO Cc1cc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000506244448 1022698562 /nfs/dbraw/zinc/69/85/62/1022698562.db2.gz AWNWIFYWMASLOE-UHFFFAOYSA-N 1 1 337.442 3.714 20 30 EHEDMO Cc1cc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000506244448 1022698565 /nfs/dbraw/zinc/69/85/65/1022698565.db2.gz AWNWIFYWMASLOE-UHFFFAOYSA-N 1 1 337.442 3.714 20 30 EHEDMO N#Cc1cccc(C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)n1 ZINC000602693272 1033073724 /nfs/dbraw/zinc/07/37/24/1033073724.db2.gz FCANGVMGVXFJBD-UHFFFAOYSA-N 1 1 338.480 3.668 20 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CC[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccc(OC)cc1OC ZINC000446849575 1029818161 /nfs/dbraw/zinc/81/81/61/1029818161.db2.gz OMZBCBFCWCULMH-UHFFFAOYSA-N 1 1 327.399 3.717 20 30 EHEDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000536023035 1029831023 /nfs/dbraw/zinc/83/10/23/1029831023.db2.gz KLMJPFBCFPDKAF-IBGZPJMESA-N 1 1 348.837 3.780 20 30 EHEDMO CCc1cc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)on1 ZINC000525464316 1029859212 /nfs/dbraw/zinc/85/92/12/1029859212.db2.gz UVAPHPUFVADYHS-UHFFFAOYSA-N 1 1 347.418 3.977 20 30 EHEDMO C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1Cc1cc(C#N)cs1 ZINC000447058377 1029893552 /nfs/dbraw/zinc/89/35/52/1029893552.db2.gz HJGJOWJLWGZCRZ-OAHLLOKOSA-N 1 1 348.475 3.879 20 30 EHEDMO C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1Cc1cc(C#N)cs1 ZINC000447058377 1029893558 /nfs/dbraw/zinc/89/35/58/1029893558.db2.gz HJGJOWJLWGZCRZ-OAHLLOKOSA-N 1 1 348.475 3.879 20 30 EHEDMO Cc1ccccc1[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000531912827 1030030060 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C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CC1CCCC1 ZINC000064014552 1030305214 /nfs/dbraw/zinc/30/52/14/1030305214.db2.gz YVRHBUDVRMZZIZ-OAHLLOKOSA-N 1 1 331.435 3.583 20 30 EHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000091857350 1030320323 /nfs/dbraw/zinc/32/03/23/1030320323.db2.gz XVACUCGAQOGMDY-CQSZACIVSA-N 1 1 348.878 3.715 20 30 EHEDMO C[NH+](C)CC(C)(C)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000453596003 1030356652 /nfs/dbraw/zinc/35/66/52/1030356652.db2.gz IYBKRWGUNVYDDI-UHFFFAOYSA-N 1 1 337.467 3.567 20 30 EHEDMO C=C(C)CN1CCC([NH2+]Cc2sc(C)cc2Br)CC1 ZINC000453586102 1030377879 /nfs/dbraw/zinc/37/78/79/1030377879.db2.gz ISSQPVFNSXYGES-UHFFFAOYSA-N 1 1 343.334 3.949 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](OCCOCC)C2)cc1Cl ZINC000092067299 1030370289 /nfs/dbraw/zinc/37/02/89/1030370289.db2.gz QIYPHBLBNCYZDD-INIZCTEOSA-N 1 1 339.863 3.532 20 30 EHEDMO CC(=O)c1ccc(C#N)cc1N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000447689367 1030423651 /nfs/dbraw/zinc/42/36/51/1030423651.db2.gz PMAPBUIIEMJUBK-UHFFFAOYSA-N 1 1 335.407 3.512 20 30 EHEDMO C=CCOc1ccc(C[N@H+](CCCN2CCCC2=O)C(C)(C)C)cc1 ZINC000532144779 1030435503 /nfs/dbraw/zinc/43/55/03/1030435503.db2.gz NGYCCENVIGHKOW-UHFFFAOYSA-N 1 1 344.499 3.864 20 30 EHEDMO C=CCC[C@@H](NC(=O)NC[C@@H]1CC[N@H+](CCC)C1)c1ccccc1 ZINC000246361379 1030465141 /nfs/dbraw/zinc/46/51/41/1030465141.db2.gz YETWDZSACVAMRE-PKOBYXMFSA-N 1 1 329.488 3.725 20 30 EHEDMO C=CC[N@H+](Cc1ccc(OCCOC)cc1)Cc1cccc(C#N)c1 ZINC000092504574 1030472498 /nfs/dbraw/zinc/47/24/98/1030472498.db2.gz NCGOXCFIZFRPGB-UHFFFAOYSA-N 1 1 336.435 3.772 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000022781804 1030491344 /nfs/dbraw/zinc/49/13/44/1030491344.db2.gz JJZZBNBXVZDKEP-UHFFFAOYSA-N 1 1 343.833 3.669 20 30 EHEDMO Cc1cnc(CC[N@H+](C)Cc2cccc(OCCCC#N)c2)s1 ZINC000093807193 1030676472 /nfs/dbraw/zinc/67/64/72/1030676472.db2.gz OVZROTBGRQOJQV-UHFFFAOYSA-N 1 1 329.469 3.809 20 30 EHEDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093863916 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3.688 20 30 EHEDMO Cc1cc([C@H]2CCC[N@@H+]2CCO[C@@H](C)C#N)ccc1Br ZINC000801952705 1031252062 /nfs/dbraw/zinc/25/20/62/1031252062.db2.gz CTFXAOSPRBLTDD-XJKSGUPXSA-N 1 1 337.261 3.823 20 30 EHEDMO COc1ccc(C[NH2+][C@@H](C)c2ncccc2F)cc1OCCCC#N ZINC000527826839 1031292067 /nfs/dbraw/zinc/29/20/67/1031292067.db2.gz UABJOGDIHWGQFB-AWEZNQCLSA-N 1 1 343.402 3.763 20 30 EHEDMO C=C[C@H](CC(=O)N1CC[N@H+](C)CC12CCCCC2)c1ccccc1 ZINC000536200689 1031524836 /nfs/dbraw/zinc/52/48/36/1031524836.db2.gz IJPLFKLGPIPVPN-GOSISDBHSA-N 1 1 326.484 3.823 20 30 EHEDMO CC1(C)C[N@@H+](CCOc2cccc(C#N)c2)CC[C@H]1C(F)(F)F ZINC000484336284 1031539860 /nfs/dbraw/zinc/53/98/60/1031539860.db2.gz GNCQNMWAVLVZAT-OAHLLOKOSA-N 1 1 326.362 3.847 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(C#N)n2C)cc1 ZINC000448721154 1031544422 /nfs/dbraw/zinc/54/44/22/1031544422.db2.gz VGELPSAMVYJSLD-OAHLLOKOSA-N 1 1 336.439 3.523 20 30 EHEDMO O=C(C[N@H+]1CCC[C@H](C2CC2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000329663408 1031670423 /nfs/dbraw/zinc/67/04/23/1031670423.db2.gz PWJKIANWPJLRRF-HNNXBMFYSA-N 1 1 330.428 3.558 20 30 EHEDMO C=C(C)[C@H](NC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000248535738 1031898236 /nfs/dbraw/zinc/89/82/36/1031898236.db2.gz KJLCIHSBOYTADV-DFHBCGBQSA-N 1 1 349.425 3.506 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccnn2C2CCCC2)CC1 ZINC000449013903 1032025775 /nfs/dbraw/zinc/02/57/75/1032025775.db2.gz NCYZKZHALRQFCN-UHFFFAOYSA-N 1 1 349.482 3.582 20 30 EHEDMO C=C(C)[C@@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1ccc(F)c(F)c1 ZINC000459403540 1032043235 /nfs/dbraw/zinc/04/32/35/1032043235.db2.gz HBRKEPNJZARDSM-QGZVFWFLSA-N 1 1 331.366 3.745 20 30 EHEDMO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000195131829 1032044632 /nfs/dbraw/zinc/04/46/32/1032044632.db2.gz KUPMIQJIWXWPGZ-ICSRJNTNSA-N 1 1 349.478 3.762 20 30 EHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000598587461 1033313097 /nfs/dbraw/zinc/31/30/97/1033313097.db2.gz ALMCOLRIDMABST-FPOVZHCZSA-N 1 1 334.463 3.935 20 30 EHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000598616595 1033329592 /nfs/dbraw/zinc/32/95/92/1033329592.db2.gz MWFZENHUQWBAMC-MRXNPFEDSA-N 1 1 338.854 3.992 20 30 EHEDMO N#Cc1ccsc1NC(=O)CC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000598648695 1033364421 /nfs/dbraw/zinc/36/44/21/1033364421.db2.gz HJYKUMFKJYQHOY-AWEZNQCLSA-N 1 1 341.427 3.752 20 30 EHEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000592755757 1033376122 /nfs/dbraw/zinc/37/61/22/1033376122.db2.gz XNPSLMOVUQUXFJ-JKSUJKDBSA-N 1 1 338.455 3.878 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)n1cc(C[NH2+][C@H]2CCc3ccccc32)nn1 ZINC000603231795 1033452842 /nfs/dbraw/zinc/45/28/42/1033452842.db2.gz CEQVSENVQLONCJ-VFNWGFHPSA-N 1 1 343.434 3.536 20 30 EHEDMO C=C(C)CSc1nnc([C@H](CC)[NH+](C)C)n1-c1ccc(OC)cc1 ZINC000044172192 1033475335 /nfs/dbraw/zinc/47/53/35/1033475335.db2.gz QELLHINXZQFYGX-INIZCTEOSA-N 1 1 346.500 3.957 20 30 EHEDMO CN1Cc2ccccc2[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1=O ZINC000598942799 1033583406 /nfs/dbraw/zinc/58/34/06/1033583406.db2.gz NVIOAZLSYBIJSK-SFTDATJTSA-N 1 1 345.446 3.629 20 30 EHEDMO CCC(C#N)(CC)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000598975727 1033623949 /nfs/dbraw/zinc/62/39/49/1033623949.db2.gz ZUSXQNDXDMIUSK-QGZVFWFLSA-N 1 1 347.890 3.923 20 30 EHEDMO Cn1cc[nH+]c1C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000078558915 1033705638 /nfs/dbraw/zinc/70/56/38/1033705638.db2.gz LOLFXSQLWJVUSD-KRWDZBQOSA-N 1 1 347.378 3.596 20 30 EHEDMO C[NH+](CCc1ccc(C#N)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595334129 1033732507 /nfs/dbraw/zinc/73/25/07/1033732507.db2.gz MKOPDGAZGPVJQD-JOCHJYFZSA-N 1 1 333.479 3.555 20 30 EHEDMO C[N@H+](CCc1ccc(C#N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000595334129 1033732523 /nfs/dbraw/zinc/73/25/23/1033732523.db2.gz MKOPDGAZGPVJQD-JOCHJYFZSA-N 1 1 333.479 3.555 20 30 EHEDMO C[N@@H+](CCc1ccc(C#N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000595334129 1033732537 /nfs/dbraw/zinc/73/25/37/1033732537.db2.gz MKOPDGAZGPVJQD-JOCHJYFZSA-N 1 1 333.479 3.555 20 30 EHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@@H](Cc4ccccc4)C3)o2)c1 ZINC000075767107 1033742604 /nfs/dbraw/zinc/74/26/04/1033742604.db2.gz IAYQTOOBXQXURA-SFHVURJKSA-N 1 1 344.418 3.673 20 30 EHEDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000592996394 1033777445 /nfs/dbraw/zinc/77/74/45/1033777445.db2.gz WWAINCWGGCFYNQ-GOSISDBHSA-N 1 1 337.379 3.812 20 30 EHEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000592996394 1033777457 /nfs/dbraw/zinc/77/74/57/1033777457.db2.gz WWAINCWGGCFYNQ-GOSISDBHSA-N 1 1 337.379 3.812 20 30 EHEDMO N#C[C@H](c1ccccc1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000595483389 1033808466 /nfs/dbraw/zinc/80/84/66/1033808466.db2.gz MANNBDSJWRFKLJ-YADHBBJMSA-N 1 1 331.463 3.849 20 30 EHEDMO N#CCC[C@@H](C#N)CNC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000603633245 1033824382 /nfs/dbraw/zinc/82/43/82/1033824382.db2.gz CBDJMRJFKSTTTO-YJBOKZPZSA-N 1 1 330.863 3.510 20 30 EHEDMO CCCC[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@@H](C)c1ccccc1 ZINC000599274625 1033840974 /nfs/dbraw/zinc/84/09/74/1033840974.db2.gz VZPFCJCKLIFQIO-ICSRJNTNSA-N 1 1 344.499 3.921 20 30 EHEDMO CCCC[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H](C)c1ccccc1 ZINC000599274624 1033841416 /nfs/dbraw/zinc/84/14/16/1033841416.db2.gz VZPFCJCKLIFQIO-AZUAARDMSA-N 1 1 344.499 3.921 20 30 EHEDMO CCC[N@@H+](CC(=O)N(C)Cc1ccccc1C)Cc1ccc(C#N)cc1 ZINC000603681425 1033852548 /nfs/dbraw/zinc/85/25/48/1033852548.db2.gz KDMGFCYQFKRHFC-UHFFFAOYSA-N 1 1 349.478 3.737 20 30 EHEDMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)CC2(C#N)CCOCC2)c1C ZINC000599300431 1033864058 /nfs/dbraw/zinc/86/40/58/1033864058.db2.gz YKJXFMCCUSBKSH-QUCCMNQESA-N 1 1 342.483 3.512 20 30 EHEDMO N#Cc1cccc(-c2nnc(C[NH+]3CCC(c4ccco4)CC3)o2)c1 ZINC000595618866 1033902532 /nfs/dbraw/zinc/90/25/32/1033902532.db2.gz UBOREXGWTDQFJE-UHFFFAOYSA-N 1 1 334.379 3.581 20 30 EHEDMO COC(=O)c1sc2ccccc2c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595617427 1033904259 /nfs/dbraw/zinc/90/42/59/1033904259.db2.gz ZTEGMFPGGLJEQF-ZDUSSCGKSA-N 1 1 328.437 3.814 20 30 EHEDMO COC(=O)c1sc2ccccc2c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595617427 1033904271 /nfs/dbraw/zinc/90/42/71/1033904271.db2.gz ZTEGMFPGGLJEQF-ZDUSSCGKSA-N 1 1 328.437 3.814 20 30 EHEDMO N#Cc1sccc1N1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000595630651 1033908922 /nfs/dbraw/zinc/90/89/22/1033908922.db2.gz JCSFMRUWFKENRQ-INIZCTEOSA-N 1 1 327.428 3.568 20 30 EHEDMO CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000595597877 1033912499 /nfs/dbraw/zinc/91/24/99/1033912499.db2.gz BWECGRNZBSAQCA-HUUCEWRRSA-N 1 1 333.501 3.997 20 30 EHEDMO CC(C)C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595609571 1033919398 /nfs/dbraw/zinc/91/93/98/1033919398.db2.gz MNUVBFVHQJTNNH-HKUYNNGSSA-N 1 1 327.472 3.516 20 30 EHEDMO CC(C)C[C@H](NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595609571 1033919405 /nfs/dbraw/zinc/91/94/05/1033919405.db2.gz MNUVBFVHQJTNNH-HKUYNNGSSA-N 1 1 327.472 3.516 20 30 EHEDMO N#CC[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000595614377 1033927537 /nfs/dbraw/zinc/92/75/37/1033927537.db2.gz GXDOYSDSKPBHAT-LBPRGKRZSA-N 1 1 340.254 3.948 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCc2ccccc21 ZINC000593095980 1033934653 /nfs/dbraw/zinc/93/46/53/1033934653.db2.gz OWNPDZJXSGKSEN-HNNXBMFYSA-N 1 1 344.418 3.770 20 30 EHEDMO COc1ccc(C[NH2+]CC(C)(C)N[C@@H](C)c2ccccc2)cc1C#N ZINC000174389929 1033934666 /nfs/dbraw/zinc/93/46/66/1033934666.db2.gz MWRFPOPLGNXRHR-INIZCTEOSA-N 1 1 337.467 3.786 20 30 EHEDMO C[NH+](C)[C@H](CNc1nc2c(cc1C#N)CCC2)c1ccccc1Cl ZINC000603838338 1033949998 /nfs/dbraw/zinc/94/99/98/1033949998.db2.gz GYKCXKYFNBYABU-GOSISDBHSA-N 1 1 340.858 3.810 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2coc(-c3ccccc3)n2)cc1 ZINC000174475129 1033950355 /nfs/dbraw/zinc/95/03/55/1033950355.db2.gz LJEAJCOOXZLXFS-HNNXBMFYSA-N 1 1 333.391 3.922 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595701265 1033952841 /nfs/dbraw/zinc/95/28/41/1033952841.db2.gz FIMZZVBFCKAYPZ-KRWDZBQOSA-N 1 1 326.371 3.532 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595701265 1033952852 /nfs/dbraw/zinc/95/28/52/1033952852.db2.gz FIMZZVBFCKAYPZ-KRWDZBQOSA-N 1 1 326.371 3.532 20 30 EHEDMO C#CCCCNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000174526104 1033967654 /nfs/dbraw/zinc/96/76/54/1033967654.db2.gz NYDNREYFVXRFJC-UHFFFAOYSA-N 1 1 327.472 3.986 20 30 EHEDMO C[C@H](O)[C@H]1CCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000595764540 1033970759 /nfs/dbraw/zinc/97/07/59/1033970759.db2.gz AYOVQUALLLAKLP-GHTZIAJQSA-N 1 1 334.463 3.732 20 30 EHEDMO COc1ccc(-c2nc(C[NH2+]Cc3cccc(C#N)c3)cs2)cc1 ZINC000608982224 1033972478 /nfs/dbraw/zinc/97/24/78/1033972478.db2.gz DCUFDTBNCYGUCP-UHFFFAOYSA-N 1 1 335.432 3.980 20 30 EHEDMO Cn1cc(C[N@H+]2CCC[C@@H](CCF)C2)c(-c2ccc(C#N)cc2)n1 ZINC000595754981 1033984233 /nfs/dbraw/zinc/98/42/33/1033984233.db2.gz DOJGYHWOKKPAMH-INIZCTEOSA-N 1 1 326.419 3.530 20 30 EHEDMO Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)n2c3ccccc3nc2c1C#N ZINC000603865019 1033991337 /nfs/dbraw/zinc/99/13/37/1033991337.db2.gz YVAZSGYMSLWCMP-CVEARBPZSA-N 1 1 345.450 3.706 20 30 EHEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000595792426 1034002304 /nfs/dbraw/zinc/00/23/04/1034002304.db2.gz ZVGLEJSZYPKGQW-UYAOXDASSA-N 1 1 328.456 3.608 20 30 EHEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000118851241 1034038035 /nfs/dbraw/zinc/03/80/35/1034038035.db2.gz VECBUNFSWRKPRG-LMMKCTJWSA-N 1 1 325.456 3.586 20 30 EHEDMO C[C@@H](Nc1nc2ncccc2cc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000596190147 1034104065 /nfs/dbraw/zinc/10/40/65/1034104065.db2.gz OMXDEJIBVJSRPN-GDBMZVCRSA-N 1 1 335.455 3.566 20 30 EHEDMO CC(C)c1ccc(CN(C(=O)C[NH+]2CCC(C#N)CC2)C2CC2)cc1 ZINC000057873309 1034232735 /nfs/dbraw/zinc/23/27/35/1034232735.db2.gz VOIQKGTVXYGXGQ-UHFFFAOYSA-N 1 1 339.483 3.537 20 30 EHEDMO N#Cc1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000596526643 1034275856 /nfs/dbraw/zinc/27/58/56/1034275856.db2.gz RZAOLGROQNYUMB-GOSISDBHSA-N 1 1 332.451 3.667 20 30 EHEDMO C[NH+]1CCN(Cc2ccccc2-c2cccc(C3(C#N)CC3)c2)CC1 ZINC000596639379 1034344924 /nfs/dbraw/zinc/34/49/24/1034344924.db2.gz PCRNNHCQOAQGBP-UHFFFAOYSA-N 1 1 331.463 3.656 20 30 EHEDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1cccc(Cl)c1C#N ZINC000450452767 1034357259 /nfs/dbraw/zinc/35/72/59/1034357259.db2.gz KKWZTVUAWDWZPN-KXBFYZLASA-N 1 1 340.858 3.736 20 30 EHEDMO N#CC1(c2ccc(C[N@@H+]3CC[C@H]4[C@@H](CCCN4C4CC4)C3)cc2)CC1 ZINC000597031154 1034506656 /nfs/dbraw/zinc/50/66/56/1034506656.db2.gz VQHPRYUGBGNDQY-RXVVDRJESA-N 1 1 335.495 3.690 20 30 EHEDMO N#CC1(c2ccc(C[N@H+]3CC[C@H]4[C@@H](CCCN4C4CC4)C3)cc2)CC1 ZINC000597031154 1034506668 /nfs/dbraw/zinc/50/66/68/1034506668.db2.gz VQHPRYUGBGNDQY-RXVVDRJESA-N 1 1 335.495 3.690 20 30 EHEDMO C=CC[C@@H](C)NC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000604894827 1034537374 /nfs/dbraw/zinc/53/73/74/1034537374.db2.gz DOOIMOWJTWWFJS-FGTMMUONSA-N 1 1 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COc1ccc(C[N@H+](C)C2CCC(OC)CC2)cc1OCCCC#N ZINC000093415145 1042296793 /nfs/dbraw/zinc/29/67/93/1042296793.db2.gz FPTXUNWJTIWJQM-UHFFFAOYSA-N 1 1 346.471 3.767 20 30 EHEDMO C=CC[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)C(C)(C)C ZINC000661754816 1042307411 /nfs/dbraw/zinc/30/74/11/1042307411.db2.gz BXBIGHGZERJANU-UHFFFAOYSA-N 1 1 340.221 3.879 20 30 EHEDMO C=CC[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)C(C)(C)C ZINC000661754816 1042307418 /nfs/dbraw/zinc/30/74/18/1042307418.db2.gz BXBIGHGZERJANU-UHFFFAOYSA-N 1 1 340.221 3.879 20 30 EHEDMO C=CCN(CC=C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549583325 1042485441 /nfs/dbraw/zinc/48/54/41/1042485441.db2.gz ILFCXKDSMMVOSE-LJQANCHMSA-N 1 1 341.499 3.671 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000662090208 1042511859 /nfs/dbraw/zinc/51/18/59/1042511859.db2.gz LVWBQVISBXCDCF-ZIFCJYIRSA-N 1 1 346.421 3.639 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000662090422 1042511907 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N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)s1 ZINC000123160262 1128660184 /nfs/dbraw/zinc/66/01/84/1128660184.db2.gz VMZRNORHCXGYOD-INIZCTEOSA-N 1 1 330.428 3.940 20 30 EHEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)s1 ZINC000123160262 1128660185 /nfs/dbraw/zinc/66/01/85/1128660185.db2.gz VMZRNORHCXGYOD-INIZCTEOSA-N 1 1 330.428 3.940 20 30 EHEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000303557159 1128682240 /nfs/dbraw/zinc/68/22/40/1128682240.db2.gz WKTATNVOMKELSS-PZJWPPBQSA-N 1 1 338.451 3.627 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000303862286 1128703590 /nfs/dbraw/zinc/70/35/90/1128703590.db2.gz PRMUJIYNGBXWAI-FQEVSTJZSA-N 1 1 326.440 3.768 20 30 EHEDMO C=CCC(CC=C)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000499445903 1128752621 /nfs/dbraw/zinc/75/26/21/1128752621.db2.gz YCAJZNBOEXHQBV-ZWKOTPCHSA-N 1 1 326.484 3.876 20 30 EHEDMO Cc1cc(C)c2ncc(C#N)c(N3CC[C@@]4(C3)CCC[N@H+](C)C4)c2c1 ZINC000338745978 1128823458 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C[C@@H]1CC[C@@](CO)([N@@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000495197092 1120986576 /nfs/dbraw/zinc/98/65/76/1120986576.db2.gz TWHMDQDBNCCKEI-RHSMWYFYSA-N 1 1 325.374 3.540 20 30 EHEDMO C[C@H]1[C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000310828855 1128963109 /nfs/dbraw/zinc/96/31/09/1128963109.db2.gz YLJQFRFYRLFLBE-KSSFIOAISA-N 1 1 336.395 3.541 20 30 EHEDMO CC(C)(C)[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1O ZINC000495444903 1121199216 /nfs/dbraw/zinc/19/92/16/1121199216.db2.gz NVNSFFSZANYCCN-IRXDYDNUSA-N 1 1 339.401 3.786 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495715079 1121374055 /nfs/dbraw/zinc/37/40/55/1121374055.db2.gz GCABHVWJEJGGIS-FOIQADDNSA-N 1 1 343.471 3.856 20 30 EHEDMO Cc1nc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1C#N ZINC000311123075 1128982843 /nfs/dbraw/zinc/98/28/43/1128982843.db2.gz UUEBDBWIIFKOBY-SLFFLAALSA-N 1 1 332.451 3.584 20 30 EHEDMO CC[N@@H+](CC(=O)NCc1sccc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000193757964 1121620737 /nfs/dbraw/zinc/62/07/37/1121620737.db2.gz TYNZOBVGAHDRBX-HNNXBMFYSA-N 1 1 341.480 3.628 20 30 EHEDMO Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193851839 1121720745 /nfs/dbraw/zinc/72/07/45/1121720745.db2.gz FEVJJTXGDIDONC-SFHVURJKSA-N 1 1 348.450 3.510 20 30 EHEDMO C=C(C)CNC(=S)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000916019120 1122022658 /nfs/dbraw/zinc/02/26/58/1122022658.db2.gz SSTDBAFEDCKGNA-CALCHBBNSA-N 1 1 345.556 3.705 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CC(C)(C)CCC#N)C[C@H]2C1 ZINC000496479419 1122095435 /nfs/dbraw/zinc/09/54/35/1122095435.db2.gz JWSWNHIFRBNGEI-HOTGVXAUSA-N 1 1 335.492 3.505 20 30 EHEDMO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000496483391 1122098047 /nfs/dbraw/zinc/09/80/47/1122098047.db2.gz YCKYFYUYJLVVRS-MRXNPFEDSA-N 1 1 337.508 3.943 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[N@H+]2CCCC#N)C1 ZINC000496623989 1122136631 /nfs/dbraw/zinc/13/66/31/1122136631.db2.gz NSRTXNOCBPLRPZ-IRXDYDNUSA-N 1 1 335.492 3.792 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc(C#N)cc1 ZINC000077512574 1129039533 /nfs/dbraw/zinc/03/95/33/1129039533.db2.gz GZNYLDDQLZOAFT-QGZVFWFLSA-N 1 1 348.450 3.687 20 30 EHEDMO CC(C)C[N@H+](CCC#N)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000916633139 1122223797 /nfs/dbraw/zinc/22/37/97/1122223797.db2.gz KXVURCIMECFSKD-CYBMUJFWSA-N 1 1 345.270 3.605 20 30 EHEDMO CC(C)C[N@@H+](CCC#N)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000916633139 1122223801 /nfs/dbraw/zinc/22/38/01/1122223801.db2.gz KXVURCIMECFSKD-CYBMUJFWSA-N 1 1 345.270 3.605 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000763409681 1122230202 /nfs/dbraw/zinc/23/02/02/1122230202.db2.gz GZVVDUHJCDEQOZ-MJGOQNOKSA-N 1 1 326.827 3.735 20 30 EHEDMO Cc1ccc(C[C@H]2CCC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000763409991 1122230373 /nfs/dbraw/zinc/23/03/73/1122230373.db2.gz WHQXXFOVQAFHPY-IFMALSPDSA-N 1 1 334.463 3.855 20 30 EHEDMO C=CC[N@H+](CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1)C(C)C ZINC000917070995 1122476855 /nfs/dbraw/zinc/47/68/55/1122476855.db2.gz LTBPCLJZDCLUGK-UHFFFAOYSA-N 1 1 340.467 3.703 20 30 EHEDMO C=CC[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)C(C)C ZINC000917071847 1122477512 /nfs/dbraw/zinc/47/75/12/1122477512.db2.gz ZMHGAOIPAXRHCB-LJQANCHMSA-N 1 1 328.481 3.850 20 30 EHEDMO C[N@H+](CC(=O)Nc1ccccc1SCC#N)CC1CCCCC1 ZINC000067962699 1122560893 /nfs/dbraw/zinc/56/08/93/1122560893.db2.gz CHBLBIMIBTZSSO-UHFFFAOYSA-N 1 1 331.485 3.753 20 30 EHEDMO Oc1ccc(Cl)cc1C=Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000917557955 1122631121 /nfs/dbraw/zinc/63/11/21/1122631121.db2.gz JKMJOKXADHIDMJ-UHFFFAOYSA-N 1 1 344.842 3.671 20 30 EHEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1=S ZINC000917616426 1122649225 /nfs/dbraw/zinc/64/92/25/1122649225.db2.gz LMDDMFGJUWPJJF-KRWDZBQOSA-N 1 1 346.475 3.712 20 30 EHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1=S ZINC000917616426 1122649226 /nfs/dbraw/zinc/64/92/26/1122649226.db2.gz LMDDMFGJUWPJJF-KRWDZBQOSA-N 1 1 346.475 3.712 20 30 EHEDMO CCC[C@@H]1CN(C(=O)C(C#N)(CC)CC)CC[N@H+]1Cc1ccccc1 ZINC001127440484 1122866412 /nfs/dbraw/zinc/86/64/12/1122866412.db2.gz FARHIOBWSZCRRI-LJQANCHMSA-N 1 1 341.499 3.829 20 30 EHEDMO COc1ccc([C@H](CN(C)C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000556601484 1123057301 /nfs/dbraw/zinc/05/73/01/1123057301.db2.gz NJCIOEIUUQJBCC-VLIAUNLRSA-N 1 1 341.430 3.659 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCCc3ccccc3C2)cc1Cl ZINC000498917463 1123109636 /nfs/dbraw/zinc/10/96/36/1123109636.db2.gz WQWHRMTYYSUCGE-UHFFFAOYSA-N 1 1 339.826 3.599 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCCc3ccccc3C2)cc1Cl ZINC000498917463 1123109640 /nfs/dbraw/zinc/10/96/40/1123109640.db2.gz WQWHRMTYYSUCGE-UHFFFAOYSA-N 1 1 339.826 3.599 20 30 EHEDMO C=C(Br)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000133231233 1123365541 /nfs/dbraw/zinc/36/55/41/1123365541.db2.gz QYMKUYMJKGOOGM-CHWSQXEVSA-N 1 1 347.297 3.520 20 30 EHEDMO C=C(Br)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000133231233 1123365544 /nfs/dbraw/zinc/36/55/44/1123365544.db2.gz QYMKUYMJKGOOGM-CHWSQXEVSA-N 1 1 347.297 3.520 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)[C@H](C)c1cc2ccccc2o1 ZINC000064349376 1123573736 /nfs/dbraw/zinc/57/37/36/1123573736.db2.gz USVDQLPGIGRJOO-HZPDHXFCSA-N 1 1 341.455 3.824 20 30 EHEDMO CN(C(=O)CC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccccc1 ZINC000135113325 1123583783 /nfs/dbraw/zinc/58/37/83/1123583783.db2.gz BHIGMAFCZAGWKC-SFTDATJTSA-N 1 1 347.462 3.811 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCC2(CCCCC2)C1 ZINC000609541360 1123607679 /nfs/dbraw/zinc/60/76/79/1123607679.db2.gz KUZDUFHPZKOSJY-INIZCTEOSA-N 1 1 325.456 3.932 20 30 EHEDMO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000609709625 1123648494 /nfs/dbraw/zinc/64/84/94/1123648494.db2.gz FRDZVBMVOCZKDZ-RTBURBONSA-N 1 1 344.499 3.641 20 30 EHEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000610001817 1123710765 /nfs/dbraw/zinc/71/07/65/1123710765.db2.gz BWEMYVUOADTPDC-IEBWSBKVSA-N 1 1 327.472 3.834 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000610132277 1123739303 /nfs/dbraw/zinc/73/93/03/1123739303.db2.gz LNHJMPQAXNJYHP-IBGZPJMESA-N 1 1 336.435 3.955 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000610133171 1123739350 /nfs/dbraw/zinc/73/93/50/1123739350.db2.gz WRKZDQCUPHNXAY-QGZVFWFLSA-N 1 1 340.398 3.574 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000237546939 1123763241 /nfs/dbraw/zinc/76/32/41/1123763241.db2.gz PBMSFZKAFBJZER-KZNAEPCWSA-N 1 1 343.515 3.824 20 30 EHEDMO C=C(C)COc1cc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)ccc1OC ZINC000245734866 1123939515 /nfs/dbraw/zinc/93/95/15/1123939515.db2.gz KNISSAKXGNUHOB-PKOBYXMFSA-N 1 1 346.515 3.812 20 30 EHEDMO C=C(C)COc1cc(CN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)ccc1OC ZINC000245734866 1123939519 /nfs/dbraw/zinc/93/95/19/1123939519.db2.gz KNISSAKXGNUHOB-PKOBYXMFSA-N 1 1 346.515 3.812 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+](C)[C@@H]2CCN(CC)C[C@@H]2C)ccc1OC ZINC000245734866 1123939522 /nfs/dbraw/zinc/93/95/22/1123939522.db2.gz KNISSAKXGNUHOB-PKOBYXMFSA-N 1 1 346.515 3.812 20 30 EHEDMO C=C(C)COc1cc(C[N@H+](C)[C@@H]2CCN(CC)C[C@@H]2C)ccc1OC ZINC000245734866 1123939524 /nfs/dbraw/zinc/93/95/24/1123939524.db2.gz KNISSAKXGNUHOB-PKOBYXMFSA-N 1 1 346.515 3.812 20 30 EHEDMO C=CCCC1(CNC(=O)c2cc(C[NH+]3CCCC3)on2)CCCC1 ZINC000617418140 1124520893 /nfs/dbraw/zinc/52/08/93/1124520893.db2.gz UEBVWLUPNAVRQK-UHFFFAOYSA-N 1 1 331.460 3.527 20 30 EHEDMO C=CC[NH+](CC=C)CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000248029510 1124635472 /nfs/dbraw/zinc/63/54/72/1124635472.db2.gz HNQQRYJMEHNFJZ-UHFFFAOYSA-N 1 1 334.463 3.908 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(C(F)(F)F)ccc2OC)no1 ZINC001212325119 1124665074 /nfs/dbraw/zinc/66/50/74/1124665074.db2.gz IXXIQFXFYQZDRO-LBPRGKRZSA-N 1 1 339.317 3.567 20 30 EHEDMO C=CCN(C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)[C@H](C)COC ZINC000617578932 1124666480 /nfs/dbraw/zinc/66/64/80/1124666480.db2.gz TZGUKWNGBPEAJK-QGZVFWFLSA-N 1 1 332.488 3.580 20 30 EHEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)O[C@H](C#N)C2CC2)c1 ZINC000181570536 1124943446 /nfs/dbraw/zinc/94/34/46/1124943446.db2.gz NABQJEXSKMHQOG-HXUWFJFHSA-N 1 1 334.419 3.778 20 30 EHEDMO C=C[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000252801447 1125023908 /nfs/dbraw/zinc/02/39/08/1125023908.db2.gz JOHGDZHYOGLGKA-NQSCKRDGSA-N 1 1 334.463 3.908 20 30 EHEDMO C[C@@H]1COCCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000618288443 1125038913 /nfs/dbraw/zinc/03/89/13/1125038913.db2.gz QPZVMQVMSBXZBT-LJQANCHMSA-N 1 1 334.463 3.997 20 30 EHEDMO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(Cl)ccc1OCC#N ZINC000735306482 1131327915 /nfs/dbraw/zinc/32/79/15/1131327915.db2.gz OCLJPOZCXSOEPZ-UHFFFAOYSA-N 1 1 344.798 3.603 20 30 EHEDMO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(Cl)ccc1OCC#N ZINC000735306482 1131327922 /nfs/dbraw/zinc/32/79/22/1131327922.db2.gz OCLJPOZCXSOEPZ-UHFFFAOYSA-N 1 1 344.798 3.603 20 30 EHEDMO N#Cc1ccc2c(c1)CC[C@H]2NC1CC[NH+](CCc2ccccc2)CC1 ZINC000618805790 1125208037 /nfs/dbraw/zinc/20/80/37/1125208037.db2.gz PEYOJINZLHGXKU-HSZRJFAPSA-N 1 1 345.490 3.842 20 30 EHEDMO Cc1cc(C)cc(N=NC(C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000735612611 1131363851 /nfs/dbraw/zinc/36/38/51/1131363851.db2.gz RKIZCXCBARADOS-OAQYLSRUSA-N 1 1 337.467 3.992 20 30 EHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(C#N)nc2)cc1 ZINC000115035100 1129224548 /nfs/dbraw/zinc/22/45/48/1129224548.db2.gz HUCQTNUOUHUVMZ-HNNXBMFYSA-N 1 1 334.423 3.580 20 30 EHEDMO Cc1cc(C)cc(N=NC(C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000735612611 1131363850 /nfs/dbraw/zinc/36/38/50/1131363850.db2.gz RKIZCXCBARADOS-OAQYLSRUSA-N 1 1 337.467 3.992 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cccc(C#N)c2)cc1 ZINC000080265970 1129341713 /nfs/dbraw/zinc/34/17/13/1129341713.db2.gz QGRVSBKDISWKIS-AWEZNQCLSA-N 1 1 330.391 3.543 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000466351747 1129397443 /nfs/dbraw/zinc/39/74/43/1129397443.db2.gz GEKXPXPMNYDPTQ-PBHICJAKSA-N 1 1 336.395 3.714 20 30 EHEDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)C(=O)Nc1ccccc1C#N ZINC000069063659 1129419840 /nfs/dbraw/zinc/41/98/40/1129419840.db2.gz ISFLNNNIECAODE-QWHCGFSZSA-N 1 1 327.815 3.889 20 30 EHEDMO C=CC[C@H](CC)NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000466400111 1129424801 /nfs/dbraw/zinc/42/48/01/1129424801.db2.gz RXTOZLGWTSKFMD-FQEVSTJZSA-N 1 1 343.515 3.691 20 30 EHEDMO CCC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2csc(C#N)c2)CC1 ZINC000922332066 1129472849 /nfs/dbraw/zinc/47/28/49/1129472849.db2.gz AYCOAYUZRUHPIR-UHFFFAOYSA-N 1 1 349.500 3.889 20 30 EHEDMO C=CCOc1ccc(C[NH2+]Cc2cc(N(C)C)ccn2)cc1Cl ZINC000922478082 1129547252 /nfs/dbraw/zinc/54/72/52/1129547252.db2.gz JVRWYJKRFYIOFR-UHFFFAOYSA-N 1 1 331.847 3.656 20 30 EHEDMO COc1cccc([C@@H](C)[NH+]2CCN(Cc3cc(C#N)cs3)CC2)c1 ZINC000093078784 1129575278 /nfs/dbraw/zinc/57/52/78/1129575278.db2.gz VPIYITLBIDZAJN-OAHLLOKOSA-N 1 1 341.480 3.507 20 30 EHEDMO C[C@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)[C@@H]1c1cccc(F)c1 ZINC000093735848 1129601520 /nfs/dbraw/zinc/60/15/20/1129601520.db2.gz XVPYVMHOPLDORK-XOBRGWDASA-N 1 1 334.398 3.928 20 30 EHEDMO C[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@@H]1c1cccc(F)c1 ZINC000093735848 1129601522 /nfs/dbraw/zinc/60/15/22/1129601522.db2.gz XVPYVMHOPLDORK-XOBRGWDASA-N 1 1 334.398 3.928 20 30 EHEDMO C#CC[N@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@H]1CCc2ccccc21 ZINC000735920733 1131391129 /nfs/dbraw/zinc/39/11/29/1131391129.db2.gz ZWGUTSAMIDJZPB-CTNGQTDRSA-N 1 1 346.430 3.635 20 30 EHEDMO C=CCOc1cccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000509093898 1129739928 /nfs/dbraw/zinc/73/99/28/1129739928.db2.gz KKIGDQCHIOKNHZ-UHFFFAOYSA-N 1 1 347.462 3.835 20 30 EHEDMO CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccccc1 ZINC000096969877 1129752568 /nfs/dbraw/zinc/75/25/68/1129752568.db2.gz MTRWUJPYIFQRPS-UHFFFAOYSA-N 1 1 327.453 3.697 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccccc1 ZINC000096969877 1129752572 /nfs/dbraw/zinc/75/25/72/1129752572.db2.gz MTRWUJPYIFQRPS-UHFFFAOYSA-N 1 1 327.453 3.697 20 30 EHEDMO C[C@H]1C[N@@H+](CC2CCC(C#N)CC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001168750146 1129934963 /nfs/dbraw/zinc/93/49/63/1129934963.db2.gz IQESUTPHGAAGCZ-JUVOFCAFSA-N 1 1 335.492 3.646 20 30 EHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000674250251 1130038155 /nfs/dbraw/zinc/03/81/55/1130038155.db2.gz XBTZAYWQPATLAM-QGZVFWFLSA-N 1 1 333.357 3.591 20 30 EHEDMO COc1cccc([C@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000173212012 1130196852 /nfs/dbraw/zinc/19/68/52/1130196852.db2.gz AFRDWVCYWAGMFP-KRWDZBQOSA-N 1 1 335.451 3.840 20 30 EHEDMO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ncc(-c2ccccc2)o1 ZINC000174211562 1130341117 /nfs/dbraw/zinc/34/11/17/1130341117.db2.gz DKMABWRKDTUUSF-HNNXBMFYSA-N 1 1 333.391 3.943 20 30 EHEDMO C=CC[N@H+](Cc1ccc(OCC#N)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000731212106 1130777432 /nfs/dbraw/zinc/77/74/32/1130777432.db2.gz SWJRGKMKRZOXGD-UHFFFAOYSA-N 1 1 337.379 3.685 20 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/nfs/dbraw/zinc/46/75/64/1131467564.db2.gz PWHQSDPENZRASH-UHFFFAOYSA-N 1 1 344.418 3.755 20 30 EHEDMO COC(=O)[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC000739991206 1131515576 /nfs/dbraw/zinc/51/55/76/1131515576.db2.gz PPKLYTXMFIVETM-FQEVSTJZSA-N 1 1 349.434 3.875 20 30 EHEDMO Cc1ccc(-c2noc(CCC[N@@H+](CCC#N)CC(C)C)n2)cc1F ZINC000739914874 1131517026 /nfs/dbraw/zinc/51/70/26/1131517026.db2.gz QGSYFGIJJZMTDH-UHFFFAOYSA-N 1 1 344.434 3.988 20 30 EHEDMO Cc1ccccc1[C@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000741801183 1131652874 /nfs/dbraw/zinc/65/28/74/1131652874.db2.gz FCZJESWPJBDWGA-OAQYLSRUSA-N 1 1 336.435 3.709 20 30 EHEDMO Cc1ccccc1[C@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000741801183 1131652876 /nfs/dbraw/zinc/65/28/76/1131652876.db2.gz FCZJESWPJBDWGA-OAQYLSRUSA-N 1 1 336.435 3.709 20 30 EHEDMO C[C@@H]1Cc2ccccc2C[N@@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000742160390 1131695092 /nfs/dbraw/zinc/69/50/92/1131695092.db2.gz XAYCYWKBGDLSDM-MRXNPFEDSA-N 1 1 328.419 3.826 20 30 EHEDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000742160390 1131695096 /nfs/dbraw/zinc/69/50/96/1131695096.db2.gz XAYCYWKBGDLSDM-MRXNPFEDSA-N 1 1 328.419 3.826 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H](C)CCOC(C)C)[C@@H]2CC ZINC001172446634 1131745897 /nfs/dbraw/zinc/74/58/97/1131745897.db2.gz MJEUICSXISYQGB-NSHGMRRFSA-N 1 1 336.520 3.612 20 30 EHEDMO Cc1ccc(N2C[C@@]3(CC[N@H+]([C@@H](C)CCCC#N)C3)CC2=O)cc1 ZINC001172499387 1131759715 /nfs/dbraw/zinc/75/97/15/1131759715.db2.gz RSRUOEKGFMKWEV-PXNSSMCTSA-N 1 1 325.456 3.506 20 30 EHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001172498704 1131760139 /nfs/dbraw/zinc/76/01/39/1131760139.db2.gz NHFSZRIBSIFKOR-YLJYHZDGSA-N 1 1 329.463 3.948 20 30 EHEDMO C[C@H](CCCC#N)N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001172498704 1131760143 /nfs/dbraw/zinc/76/01/43/1131760143.db2.gz NHFSZRIBSIFKOR-YLJYHZDGSA-N 1 1 329.463 3.948 20 30 EHEDMO C[C@H](CCCC#N)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001172498704 1131760147 /nfs/dbraw/zinc/76/01/47/1131760147.db2.gz NHFSZRIBSIFKOR-YLJYHZDGSA-N 1 1 329.463 3.948 20 30 EHEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@H]2O[C@@H](C(=O)N(C)C)C[C@H]21 ZINC001172505997 1131762345 /nfs/dbraw/zinc/76/23/45/1131762345.db2.gz YVBWVOARSLHHKI-WJFTUGDTSA-N 1 1 338.536 3.836 20 30 EHEDMO CCCCCCCC[C@@H](CCC)[N@H+]1CCN(CC(N)=O)C(C)(C)C1 ZINC001173310433 1132036346 /nfs/dbraw/zinc/03/63/46/1132036346.db2.gz VRCPJMQBYDDOKX-GOSISDBHSA-N 1 1 339.568 3.787 20 30 EHEDMO Cc1ccc2c(n1)N(CC1CC1)CC[N@@H+](C1CCC(CC#N)CC1)C2 ZINC001173335758 1132052097 /nfs/dbraw/zinc/05/20/97/1132052097.db2.gz XKWDLMFQIDRTAG-UHFFFAOYSA-N 1 1 338.499 3.895 20 30 EHEDMO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173594200 1132099206 /nfs/dbraw/zinc/09/92/06/1132099206.db2.gz VAOVDXPYIYZRFA-LYGPFTKASA-N 1 1 335.492 3.790 20 30 EHEDMO C#C[C@@H]1CCC[N@H+](C2CCC(c3ccc(OC(C)=O)cc3)CC2)C1 ZINC001173789469 1132149694 /nfs/dbraw/zinc/14/96/94/1132149694.db2.gz JGEKDYXESZLVAO-PGYGNJIDSA-N 1 1 325.452 3.983 20 30 EHEDMO C[N@@H+](CCc1ccccc1F)Cc1ccc(C#N)cc1OC(F)F ZINC000752288411 1132509410 /nfs/dbraw/zinc/50/94/10/1132509410.db2.gz VYIHKSPLDAXKHY-UHFFFAOYSA-N 1 1 334.341 3.973 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NC[C@@H]2CCCN(C(C)=O)C2)cc1 ZINC001168784820 1132535767 /nfs/dbraw/zinc/53/57/67/1132535767.db2.gz QMGMDDWMCVLSQH-RXVVDRJESA-N 1 1 341.499 3.680 20 30 EHEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC001175194753 1132583704 /nfs/dbraw/zinc/58/37/04/1132583704.db2.gz LODUXDOZDPZPDU-DOMZBBRYSA-N 1 1 349.862 3.699 20 30 EHEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC001175194753 1132583707 /nfs/dbraw/zinc/58/37/07/1132583707.db2.gz LODUXDOZDPZPDU-DOMZBBRYSA-N 1 1 349.862 3.699 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2CC[C@]2(C)C2CCCCC2)c1C#N ZINC001175643102 1132720382 /nfs/dbraw/zinc/72/03/82/1132720382.db2.gz LOZRGVGQBLBADJ-HXUWFJFHSA-N 1 1 326.440 3.890 20 30 EHEDMO CCCCCCCC[N@@H+](CCN)[C@@H]1CCCN(C(=O)OCC)CC1 ZINC001169663099 1132813668 /nfs/dbraw/zinc/81/36/68/1132813668.db2.gz VBLCEFKLIBKDCH-GOSISDBHSA-N 1 1 341.540 3.619 20 30 EHEDMO CCCCCCCCN(CC[NH3+])[C@@H]1CCCN(C(=O)OCC)CC1 ZINC001169663099 1132813674 /nfs/dbraw/zinc/81/36/74/1132813674.db2.gz VBLCEFKLIBKDCH-GOSISDBHSA-N 1 1 341.540 3.619 20 30 EHEDMO COCC[N@H+](Cc1ccc(C)c(C)c1)Cc1cc(C#N)ccc1OC ZINC001176201918 1132871354 /nfs/dbraw/zinc/87/13/54/1132871354.db2.gz IZUQTMWLDFTGCS-UHFFFAOYSA-N 1 1 338.451 3.832 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C)c(C)c1)Cc1cc(C#N)ccc1OC ZINC001176201918 1132871363 /nfs/dbraw/zinc/87/13/63/1132871363.db2.gz IZUQTMWLDFTGCS-UHFFFAOYSA-N 1 1 338.451 3.832 20 30 EHEDMO C=CCn1cc(Nc2c(C)[nH+]c3ccc(Br)cn32)cn1 ZINC001176545457 1132949362 /nfs/dbraw/zinc/94/93/62/1132949362.db2.gz BQQCBPWHXHTZTR-UHFFFAOYSA-N 1 1 332.205 3.531 20 30 EHEDMO C=CC[C@H]1CC[N@@H+]1CCC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC001176813654 1133002016 /nfs/dbraw/zinc/00/20/16/1133002016.db2.gz GPCMUZUZYJZCHL-INIZCTEOSA-N 1 1 333.451 3.649 20 30 EHEDMO COCC[N@@H+](Cc1cccs1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768197721 1133112411 /nfs/dbraw/zinc/11/24/11/1133112411.db2.gz MWEFWAMDIHFOJM-HNNXBMFYSA-N 1 1 330.453 3.688 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000768242727 1133120180 /nfs/dbraw/zinc/12/01/80/1133120180.db2.gz BSYRTSGHQMQPIH-RXVVDRJESA-N 1 1 349.478 3.684 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000768242727 1133120185 /nfs/dbraw/zinc/12/01/85/1133120185.db2.gz BSYRTSGHQMQPIH-RXVVDRJESA-N 1 1 349.478 3.684 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000768242727 1133120188 /nfs/dbraw/zinc/12/01/88/1133120188.db2.gz BSYRTSGHQMQPIH-RXVVDRJESA-N 1 1 349.478 3.684 20 30 EHEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000768351772 1133128790 /nfs/dbraw/zinc/12/87/90/1133128790.db2.gz KAVDMGDBPFHFIR-QGZVFWFLSA-N 1 1 346.471 3.741 20 30 EHEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000768351772 1133128793 /nfs/dbraw/zinc/12/87/93/1133128793.db2.gz KAVDMGDBPFHFIR-QGZVFWFLSA-N 1 1 346.471 3.741 20 30 EHEDMO COc1cc(C[N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)cc(OC)c1 ZINC000768537169 1133151957 /nfs/dbraw/zinc/15/19/57/1133151957.db2.gz OYWDRKBKXGFWCW-HNNXBMFYSA-N 1 1 340.423 3.627 20 30 EHEDMO C[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000769427632 1133283929 /nfs/dbraw/zinc/28/39/29/1133283929.db2.gz YTLVJDBBIWFXLS-CZUORRHYSA-N 1 1 349.500 3.745 20 30 EHEDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@H](C)C#N ZINC001179894010 1133293909 /nfs/dbraw/zinc/29/39/09/1133293909.db2.gz HRKDKMSVCJYUIL-CYBMUJFWSA-N 1 1 332.407 3.861 20 30 EHEDMO C#CCOc1ccccc1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000769500440 1133303268 /nfs/dbraw/zinc/30/32/68/1133303268.db2.gz ZVRAMWSMOYLMGH-HXUWFJFHSA-N 1 1 335.447 3.737 20 30 EHEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000769548205 1133312038 /nfs/dbraw/zinc/31/20/38/1133312038.db2.gz IDYSOSKCLVNDRG-NHCUHLMSSA-N 1 1 330.431 3.970 20 30 EHEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000769548205 1133312040 /nfs/dbraw/zinc/31/20/40/1133312040.db2.gz IDYSOSKCLVNDRG-NHCUHLMSSA-N 1 1 330.431 3.970 20 30 EHEDMO CNc1ccc(C)cc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001180363808 1133366856 /nfs/dbraw/zinc/36/68/56/1133366856.db2.gz ILSVSHZBPKVQCD-UHFFFAOYSA-N 1 1 348.494 3.616 20 30 EHEDMO CNc1ccc(C)cc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001180363808 1133366858 /nfs/dbraw/zinc/36/68/58/1133366858.db2.gz ILSVSHZBPKVQCD-UHFFFAOYSA-N 1 1 348.494 3.616 20 30 EHEDMO CNc1ccc(C)cc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001180363808 1133366861 /nfs/dbraw/zinc/36/68/61/1133366861.db2.gz ILSVSHZBPKVQCD-UHFFFAOYSA-N 1 1 348.494 3.616 20 30 EHEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000770349878 1133419050 /nfs/dbraw/zinc/41/90/50/1133419050.db2.gz NWXVISNRMWGQRL-JTSKRJEESA-N 1 1 349.478 3.860 20 30 EHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C)nc2c1CCCC2 ZINC001181686474 1133508235 /nfs/dbraw/zinc/50/82/35/1133508235.db2.gz HOKVEFRRHBIWQT-UHFFFAOYSA-N 1 1 340.467 3.932 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C)nc2c1CCCC2 ZINC001181686474 1133508238 /nfs/dbraw/zinc/50/82/38/1133508238.db2.gz HOKVEFRRHBIWQT-UHFFFAOYSA-N 1 1 340.467 3.932 20 30 EHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1c1snc(Cl)c1C#N ZINC000771227356 1133523045 /nfs/dbraw/zinc/52/30/45/1133523045.db2.gz BKQHCQVHUPJPBV-ZDUSSCGKSA-N 1 1 346.887 3.769 20 30 EHEDMO CCCCC[N@@H+](C)CCC(=O)Nc1ccc2nc(C#N)sc2c1 ZINC001181864995 1133542576 /nfs/dbraw/zinc/54/25/76/1133542576.db2.gz NOAOCWXNNNWIKM-UHFFFAOYSA-N 1 1 330.457 3.619 20 30 EHEDMO Cc1c(Cl)cccc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC001182109329 1133572816 /nfs/dbraw/zinc/57/28/16/1133572816.db2.gz LUULDXQCBWRXDT-INIZCTEOSA-N 1 1 327.815 3.568 20 30 EHEDMO Cc1cnc(CO[NH+]=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)s1 ZINC000771652860 1133580315 /nfs/dbraw/zinc/58/03/15/1133580315.db2.gz IQCDSFFVSPKVGX-UHFFFAOYSA-N 1 1 346.412 3.511 20 30 EHEDMO CCCC[N@@H+](CC)[C@H](C(=O)Nc1cc(C#N)ccn1)c1ccccc1 ZINC001182234217 1133595871 /nfs/dbraw/zinc/59/58/71/1133595871.db2.gz ZCUUYNNMVGWUMV-IBGZPJMESA-N 1 1 336.439 3.755 20 30 EHEDMO C=CC[N@H+](CC(=O)Nc1ccc(N2CCCCCC2)cc1)C1CC1 ZINC000772382294 1133680645 /nfs/dbraw/zinc/68/06/45/1133680645.db2.gz PPCLPJJLJQZASF-UHFFFAOYSA-N 1 1 327.472 3.656 20 30 EHEDMO C=CC[N@@H+](CC(=O)Nc1ccc(N2CCCCCC2)cc1)C1CC1 ZINC000772382294 1133680648 /nfs/dbraw/zinc/68/06/48/1133680648.db2.gz PPCLPJJLJQZASF-UHFFFAOYSA-N 1 1 327.472 3.656 20 30 EHEDMO C[C@@H](CCO)[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000772388413 1133681728 /nfs/dbraw/zinc/68/17/28/1133681728.db2.gz NQSSUAKPNZGBBW-SFHVURJKSA-N 1 1 338.451 3.600 20 30 EHEDMO C#C[C@H](C)[NH2+][C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000774477605 1133686414 /nfs/dbraw/zinc/68/64/14/1133686414.db2.gz NIQJPZYYHVFKBE-SUMWQHHRSA-N 1 1 346.352 3.997 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2nc3ccccc3cc2C#N)C1 ZINC000774520043 1133703570 /nfs/dbraw/zinc/70/35/70/1133703570.db2.gz YMYVFLXGCDJEGW-JTDSTZFVSA-N 1 1 334.467 3.948 20 30 EHEDMO C=CCCCNC(=O)CCC[N@H+](CC)[C@@H](C)Cc1ccc(O)cc1 ZINC001183057171 1133764449 /nfs/dbraw/zinc/76/44/49/1133764449.db2.gz GVSPAYOMVTVEGP-KRWDZBQOSA-N 1 1 332.488 3.508 20 30 EHEDMO CC[C@@H](CC#N)OC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000787086553 1133949223 /nfs/dbraw/zinc/94/92/23/1133949223.db2.gz QICVCLSHYVKEIY-LPHOPBHVSA-N 1 1 328.456 3.565 20 30 EHEDMO C=CCn1nnn(C[N@H+]2CCC[C@H]2[C@H](CC)c2ccccc2)c1=S ZINC000746709690 1134051508 /nfs/dbraw/zinc/05/15/08/1134051508.db2.gz BAPGWVOSGQONBG-SJORKVTESA-N 1 1 343.500 3.611 20 30 EHEDMO C=CCn1nnn(C[N@@H+]2CCC[C@H]2[C@H](CC)c2ccccc2)c1=S ZINC000746709690 1134051518 /nfs/dbraw/zinc/05/15/18/1134051518.db2.gz BAPGWVOSGQONBG-SJORKVTESA-N 1 1 343.500 3.611 20 30 EHEDMO N#Cc1c(Cl)nsc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788572826 1134146334 /nfs/dbraw/zinc/14/63/34/1134146334.db2.gz SLWNRORSTDICHF-UHFFFAOYSA-N 1 1 347.875 3.585 20 30 EHEDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000789512922 1134289373 /nfs/dbraw/zinc/28/93/73/1134289373.db2.gz CRKKKMLQOCNTAY-SFHVURJKSA-N 1 1 336.863 3.615 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)Cc2ccn(CC)c2)c1O ZINC000790451623 1134419980 /nfs/dbraw/zinc/41/99/80/1134419980.db2.gz OYEIZXRZGWXZQC-UHFFFAOYSA-N 1 1 328.456 3.973 20 30 EHEDMO C[C@]1(c2ccccc2)CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC001170193124 1134704051 /nfs/dbraw/zinc/70/40/51/1134704051.db2.gz GCRQRFJIMVYQEI-QFIPXVFZSA-N 1 1 347.462 3.941 20 30 EHEDMO COc1cnc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C#N)c1 ZINC001170329988 1134749686 /nfs/dbraw/zinc/74/96/86/1134749686.db2.gz CWUVADUMHQTJRU-LDLYASANSA-N 1 1 348.450 3.569 20 30 EHEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001170331965 1134750055 /nfs/dbraw/zinc/75/00/55/1134750055.db2.gz CQVCPYNRTOTKBB-RCCFBDPRSA-N 1 1 334.504 3.757 20 30 EHEDMO CC1(C)C[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)[C@@](C)(CO)C1 ZINC001170378862 1134767441 /nfs/dbraw/zinc/76/74/41/1134767441.db2.gz LQJGANNHDVPVSP-VEDCXYSMSA-N 1 1 326.484 3.873 20 30 EHEDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC001191443677 1134867516 /nfs/dbraw/zinc/86/75/16/1134867516.db2.gz FIKBDJOYWBLAOT-VQTJNVASSA-N 1 1 326.484 3.776 20 30 EHEDMO CC(C)[N@@H+](Cc1cccs1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793486863 1134940350 /nfs/dbraw/zinc/94/03/50/1134940350.db2.gz QCXCZJIQBMUUKM-UHFFFAOYSA-N 1 1 341.480 3.528 20 30 EHEDMO CC(C)[N@H+](Cc1cccs1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793486863 1134940354 /nfs/dbraw/zinc/94/03/54/1134940354.db2.gz QCXCZJIQBMUUKM-UHFFFAOYSA-N 1 1 341.480 3.528 20 30 EHEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 ZINC001191928515 1134943481 /nfs/dbraw/zinc/94/34/81/1134943481.db2.gz KGGVKISVCZSRKO-SIKLNZKXSA-N 1 1 345.446 3.953 20 30 EHEDMO C=CCc1cc(C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c(O)c(OC)c1 ZINC000793780309 1134994684 /nfs/dbraw/zinc/99/46/84/1134994684.db2.gz LZAATXATBLSYNB-HNNXBMFYSA-N 1 1 339.435 3.912 20 30 EHEDMO Cn1cc[nH+]c1C[C@H](Nc1nc(Cl)c(C#N)s1)c1ccccc1 ZINC000804522359 1135104742 /nfs/dbraw/zinc/10/47/42/1135104742.db2.gz YIERTCZAXGIHSS-LBPRGKRZSA-N 1 1 343.843 3.798 20 30 EHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1c1nc(Cl)c(C#N)s1 ZINC000804531700 1135109126 /nfs/dbraw/zinc/10/91/26/1135109126.db2.gz QZCBZJDTJSRQGG-ZDUSSCGKSA-N 1 1 346.887 3.769 20 30 EHEDMO CCCCCCCOC(=O)N1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001193995662 1135219474 /nfs/dbraw/zinc/21/94/74/1135219474.db2.gz UKMXADOYENEWSV-KDURUIRLSA-N 1 1 345.487 3.552 20 30 EHEDMO C=CCOC(=O)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001194300089 1135254758 /nfs/dbraw/zinc/25/47/58/1135254758.db2.gz RNBFVTBXAIIDGV-XIRDDKMYSA-N 1 1 334.485 3.603 20 30 EHEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC001194682845 1135305015 /nfs/dbraw/zinc/30/50/15/1135305015.db2.gz HDUIMCZGNUKRBS-JXXFODFXSA-N 1 1 333.435 3.763 20 30 EHEDMO CCCCCCCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001194723291 1135312339 /nfs/dbraw/zinc/31/23/39/1135312339.db2.gz IOEROKOTFPTZPO-UHFFFAOYSA-N 1 1 347.459 3.713 20 30 EHEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805827084 1135337715 /nfs/dbraw/zinc/33/77/15/1135337715.db2.gz MRTWFLQPLKMTRU-QGZVFWFLSA-N 1 1 335.492 3.840 20 30 EHEDMO C[C@H]1CN(Cc2ccc(Cl)cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC001195112261 1135370712 /nfs/dbraw/zinc/37/07/12/1135370712.db2.gz HTDMOUDWQMXFHF-INIZCTEOSA-N 1 1 339.870 3.918 20 30 EHEDMO CC(C)O[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001195796882 1135471750 /nfs/dbraw/zinc/47/17/50/1135471750.db2.gz HAQAVOXMGAGKSR-QGZVFWFLSA-N 1 1 325.374 3.946 20 30 EHEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCSc3ccccc32)C1 ZINC001195954831 1135500481 /nfs/dbraw/zinc/50/04/81/1135500481.db2.gz MCFKQHWFPCEYMA-HOTGVXAUSA-N 1 1 330.497 3.802 20 30 EHEDMO CCCCC[N@@H+](CCNC(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC001130790455 1135508091 /nfs/dbraw/zinc/50/80/91/1135508091.db2.gz AMJNNRXESYVCRC-UHFFFAOYSA-N 1 1 349.478 3.980 20 30 EHEDMO COc1cc(C#N)ccc1OCC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC001196264515 1135537594 /nfs/dbraw/zinc/53/75/94/1135537594.db2.gz WZKOLHUMDYHRKE-KRWDZBQOSA-N 1 1 338.398 3.749 20 30 EHEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCCCCC#N ZINC000808060623 1135610586 /nfs/dbraw/zinc/61/05/86/1135610586.db2.gz CFMBTSDITZHXCO-MJGOQNOKSA-N 1 1 325.456 3.603 20 30 EHEDMO Fc1cccc(O[C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)c1 ZINC001197004510 1135639550 /nfs/dbraw/zinc/63/95/50/1135639550.db2.gz UOOLKRYYHBZRPE-LJQANCHMSA-N 1 1 329.802 3.984 20 30 EHEDMO C[C@@H]1CN(Cc2ccc(C#N)cc2OC(F)F)CC[N@H+]1C1CCCC1 ZINC001197796677 1135738162 /nfs/dbraw/zinc/73/81/62/1135738162.db2.gz FGWLPSWTILZEMQ-CQSZACIVSA-N 1 1 349.425 3.608 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2C2CCC2)cc1C ZINC000747528864 1135739369 /nfs/dbraw/zinc/73/93/69/1135739369.db2.gz AEJOPPKREYWKER-HXUWFJFHSA-N 1 1 339.483 3.815 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCOc2ccccc2F)cc1 ZINC000121517169 1135818942 /nfs/dbraw/zinc/81/89/42/1135818942.db2.gz RAEUNILRPMVQRA-HNNXBMFYSA-N 1 1 328.387 3.627 20 30 EHEDMO CC(C)c1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC001198844441 1135860046 /nfs/dbraw/zinc/86/00/46/1135860046.db2.gz LSPBLCOGYPIJHR-KKSFZXQISA-N 1 1 341.499 3.611 20 30 EHEDMO CC(C)c1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC001198844441 1135860050 /nfs/dbraw/zinc/86/00/50/1135860050.db2.gz LSPBLCOGYPIJHR-KKSFZXQISA-N 1 1 341.499 3.611 20 30 EHEDMO C=CCC[C@H]([NH2+]Cc1ncc(C2OCCO2)s1)c1ccccc1 ZINC000809628119 1135862318 /nfs/dbraw/zinc/86/23/18/1135862318.db2.gz OXRQDYBHMQBMKM-HNNXBMFYSA-N 1 1 330.453 3.986 20 30 EHEDMO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@H](CC)CCCCCC ZINC001170592914 1135908652 /nfs/dbraw/zinc/90/86/52/1135908652.db2.gz OBETZWVFBHRWQD-SJLPKXTDSA-N 1 1 334.508 3.666 20 30 EHEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(Br)nc1 ZINC000810226121 1135940383 /nfs/dbraw/zinc/94/03/83/1135940383.db2.gz AWQVHMCHNBXOOU-SNVBAGLBSA-N 1 1 334.192 3.706 20 30 EHEDMO C=C(Br)C[NH2+]Cc1ccc(OC(F)F)c(OCC)c1 ZINC000105453940 1135948088 /nfs/dbraw/zinc/94/80/88/1135948088.db2.gz IASZNOCBNTWVKD-UHFFFAOYSA-N 1 1 336.176 3.685 20 30 EHEDMO C[C@@H](CNCc1cccc(OCc2cccc(C#N)c2)c1)[N@H+](C)C1CC1 ZINC000105488615 1135950526 /nfs/dbraw/zinc/95/05/26/1135950526.db2.gz QLQANFNHLDLQAW-KRWDZBQOSA-N 1 1 349.478 3.710 20 30 EHEDMO C[C@@H](CNCc1cccc(OCc2cccc(C#N)c2)c1)[N@@H+](C)C1CC1 ZINC000105488615 1135950527 /nfs/dbraw/zinc/95/05/27/1135950527.db2.gz QLQANFNHLDLQAW-KRWDZBQOSA-N 1 1 349.478 3.710 20 30 EHEDMO Cc1cccc(F)c1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000776165190 1136018804 /nfs/dbraw/zinc/01/88/04/1136018804.db2.gz YRDQDGPJLNOZNR-UHFFFAOYSA-N 1 1 337.442 3.760 20 30 EHEDMO CC(C)=CCC[C@H](C)C[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001201490434 1136028348 /nfs/dbraw/zinc/02/83/48/1136028348.db2.gz KSXGOCSNLXZBNI-SFHVURJKSA-N 1 1 326.488 3.848 20 30 EHEDMO CC(C)Oc1cncc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001201540379 1136033745 /nfs/dbraw/zinc/03/37/45/1136033745.db2.gz VRPWQZYTJNFTJJ-UHFFFAOYSA-N 1 1 328.441 3.533 20 30 EHEDMO CCCCCCCC[N@H+]1CC[C@H]2[C@H]1CC(=O)N2Cc1cccc(C)n1 ZINC001201815160 1136064950 /nfs/dbraw/zinc/06/49/50/1136064950.db2.gz YASKGCJJBPOKNQ-VQTJNVASSA-N 1 1 343.515 3.926 20 30 EHEDMO CCCCCCCC[N@H+]1CCC[C@H](OCC(=O)NC(C)(C)C)C1 ZINC001201840497 1136069541 /nfs/dbraw/zinc/06/95/41/1136069541.db2.gz YHEMETFFDUHDGC-KRWDZBQOSA-N 1 1 326.525 3.743 20 30 EHEDMO C=CCN1CC[C@@]2(C[N@@H+](CCC(C)(C)C)C[C@@H]2c2ccccc2)C1=O ZINC001202073183 1136095064 /nfs/dbraw/zinc/09/50/64/1136095064.db2.gz KAGRNRMNKMAEBB-KNQAVFIVSA-N 1 1 340.511 3.927 20 30 EHEDMO C#C[C@H]([NH2+]Cc1ccc(OCCOC)cc1)c1ccc(Cl)cc1 ZINC000811516085 1136097534 /nfs/dbraw/zinc/09/75/34/1136097534.db2.gz DOFAYEQMOVVNON-IBGZPJMESA-N 1 1 329.827 3.829 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)c(C(F)(F)F)c1 ZINC000811500674 1136100547 /nfs/dbraw/zinc/10/05/47/1136100547.db2.gz KJYOQNCBMGEPKL-HNNXBMFYSA-N 1 1 331.341 3.962 20 30 EHEDMO C#CCCOc1ccc(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)cc1 ZINC000811513424 1136103285 /nfs/dbraw/zinc/10/32/85/1136103285.db2.gz VTQYJJUKVFCGEQ-NRFANRHFSA-N 1 1 346.474 3.726 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O ZINC000811779325 1136135124 /nfs/dbraw/zinc/13/51/24/1136135124.db2.gz OVZLPJFEWCXOOP-MJGOQNOKSA-N 1 1 331.456 3.519 20 30 EHEDMO CC(C)(C#N)CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000776386664 1136173122 /nfs/dbraw/zinc/17/31/22/1136173122.db2.gz LAXBCUXHXKLWHX-MRXNPFEDSA-N 1 1 332.419 3.521 20 30 EHEDMO C=CCN(C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000812606151 1136226865 /nfs/dbraw/zinc/22/68/65/1136226865.db2.gz HVLUNGJFFWKYPB-FQEVSTJZSA-N 1 1 343.515 3.895 20 30 EHEDMO C[C@@H]1C[C@H](C[N@H+](CC#N)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC000813337019 1136320217 /nfs/dbraw/zinc/32/02/17/1136320217.db2.gz VAGKSBCZLWFVII-HZPDHXFCSA-N 1 1 335.492 3.790 20 30 EHEDMO C[C@@H]1C[C@H](C[N@@H+](CC#N)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC000813337019 1136320220 /nfs/dbraw/zinc/32/02/20/1136320220.db2.gz VAGKSBCZLWFVII-HZPDHXFCSA-N 1 1 335.492 3.790 20 30 EHEDMO C[C@@H](CC#N)[N@H+](C)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000851808234 1136409856 /nfs/dbraw/zinc/40/98/56/1136409856.db2.gz FOEAZBJQXMYXDR-HNNXBMFYSA-N 1 1 343.471 3.714 20 30 EHEDMO C[C@@H](CC#N)[N@@H+](C)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000851808234 1136409858 /nfs/dbraw/zinc/40/98/58/1136409858.db2.gz FOEAZBJQXMYXDR-HNNXBMFYSA-N 1 1 343.471 3.714 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)Cc2ccccc2O1 ZINC000814177984 1136411505 /nfs/dbraw/zinc/41/15/05/1136411505.db2.gz XTCHOMPGDDACNQ-QGZVFWFLSA-N 1 1 335.451 3.820 20 30 EHEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000851860673 1136414274 /nfs/dbraw/zinc/41/42/74/1136414274.db2.gz KHZKIGGMUHZDCQ-NHCUHLMSSA-N 1 1 338.426 3.828 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2cnn(CC(F)F)c2)cc1 ZINC000814190688 1136415647 /nfs/dbraw/zinc/41/56/47/1136415647.db2.gz UXZYJOXAJPRSQS-UQCOIBPSSA-N 1 1 342.349 3.538 20 30 EHEDMO CCCCCCCC[C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000852890707 1136492453 /nfs/dbraw/zinc/49/24/53/1136492453.db2.gz LLSNESFKBJJTQQ-IEBWSBKVSA-N 1 1 331.504 3.941 20 30 EHEDMO Cc1ccc(F)cc1N[NH+]=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853393374 1136530045 /nfs/dbraw/zinc/53/00/45/1136530045.db2.gz DJPNZBKFHUTHRQ-UHFFFAOYSA-N 1 1 327.403 3.541 20 30 EHEDMO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@@H+]1CCOCCC#N ZINC000815060896 1136545025 /nfs/dbraw/zinc/54/50/25/1136545025.db2.gz FKVOFYNUKGKIKK-OAHLLOKOSA-N 1 1 338.883 3.568 20 30 EHEDMO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@H+]1CCOCCC#N ZINC000815060896 1136545027 /nfs/dbraw/zinc/54/50/27/1136545027.db2.gz FKVOFYNUKGKIKK-OAHLLOKOSA-N 1 1 338.883 3.568 20 30 EHEDMO C=CCC(F)(F)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000815821365 1136641009 /nfs/dbraw/zinc/64/10/09/1136641009.db2.gz SRJSHDZBOFLRCR-HNNXBMFYSA-N 1 1 328.447 3.701 20 30 EHEDMO C=CCn1c2ccccc2n(C[N@H+]2CCC[C@@H](COC)C2)c1=S ZINC000112960279 1136662697 /nfs/dbraw/zinc/66/26/97/1136662697.db2.gz KUKPSHDVSBMRNX-OAHLLOKOSA-N 1 1 331.485 3.674 20 30 EHEDMO C=CCn1c2ccccc2n(C[N@@H+]2CCC[C@@H](COC)C2)c1=S ZINC000112960279 1136662699 /nfs/dbraw/zinc/66/26/99/1136662699.db2.gz KUKPSHDVSBMRNX-OAHLLOKOSA-N 1 1 331.485 3.674 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCC[C@H](COC)C1 ZINC000112960767 1136665205 /nfs/dbraw/zinc/66/52/05/1136665205.db2.gz GBILYJAIJJARKK-HNNXBMFYSA-N 1 1 331.485 3.630 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000776789915 1136665957 /nfs/dbraw/zinc/66/59/57/1136665957.db2.gz UQDOQXMYNWUEGM-UHFFFAOYSA-N 1 1 327.815 3.591 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000776789915 1136665959 /nfs/dbraw/zinc/66/59/59/1136665959.db2.gz UQDOQXMYNWUEGM-UHFFFAOYSA-N 1 1 327.815 3.591 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000776798174 1136675065 /nfs/dbraw/zinc/67/50/65/1136675065.db2.gz HIAZMFVGCNQFFN-NVXWUHKLSA-N 1 1 343.471 3.602 20 30 EHEDMO C[C@H]1[C@H](OC(=O)c2cc(C#N)cs2)CCC[N@H+]1Cc1ccccc1 ZINC000816470248 1136719813 /nfs/dbraw/zinc/71/98/13/1136719813.db2.gz KLFUESKMJSQPAN-WMLDXEAASA-N 1 1 340.448 3.830 20 30 EHEDMO Cc1oc(C#N)cc1C(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000816469113 1136720025 /nfs/dbraw/zinc/72/00/25/1136720025.db2.gz SNZYBMNEJQWOBM-AUUYWEPGSA-N 1 1 338.407 3.670 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@@H+](C)C2CC(OC(C)(C)C)C2)cc1 ZINC000817416288 1136806755 /nfs/dbraw/zinc/80/67/55/1136806755.db2.gz YKZXCPYUNHVIJQ-UHFFFAOYSA-N 1 1 329.488 3.814 20 30 EHEDMO CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1C[N@@H+](CCCC(C)(C)C#N)C2 ZINC000856816203 1136814976 /nfs/dbraw/zinc/81/49/76/1136814976.db2.gz PITUUFRBJSOYKW-BEFAXECRSA-N 1 1 335.492 3.696 20 30 EHEDMO CC(C)(C)OC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCC(C)(C)C#N)C2 ZINC000856816213 1136815288 /nfs/dbraw/zinc/81/52/88/1136815288.db2.gz PITUUFRBJSOYKW-KXBFYZLASA-N 1 1 335.492 3.696 20 30 EHEDMO CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1C[N@@H+](CC(C)(C)CCC#N)C2 ZINC000857069777 1136840894 /nfs/dbraw/zinc/84/08/94/1136840894.db2.gz SOSGGLKVNYCJSG-BEFAXECRSA-N 1 1 335.492 3.696 20 30 EHEDMO C[C@H]1CC(N=Nc2ncc(Cl)cn2)CC[N@H+]1Cc1ccccc1 ZINC000857222690 1136855239 /nfs/dbraw/zinc/85/52/39/1136855239.db2.gz BNMWNDNOPHNJLI-ZDUSSCGKSA-N 1 1 329.835 3.582 20 30 EHEDMO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000266007316 1136869251 /nfs/dbraw/zinc/86/92/51/1136869251.db2.gz QSZLGUBPXBMXIN-OAQYLSRUSA-N 1 1 338.451 3.608 20 30 EHEDMO CCCCCCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000780762527 1136889916 /nfs/dbraw/zinc/88/99/16/1136889916.db2.gz KAWSRNLVSNGLRE-QGZVFWFLSA-N 1 1 330.432 3.978 20 30 EHEDMO C=C(Br)C[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC000858127763 1136942026 /nfs/dbraw/zinc/94/20/26/1136942026.db2.gz PODRXNZPZRKRLZ-UHFFFAOYSA-N 1 1 342.130 3.765 20 30 EHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@]2(C(=O)OCC)C[C@H]2C=C)cc1 ZINC001170928324 1136945660 /nfs/dbraw/zinc/94/56/60/1136945660.db2.gz OZASAJBICAQNHC-YFVAEKQCSA-N 1 1 340.467 3.929 20 30 EHEDMO C[C@@H](C#N)OCC[N@@H+](Cc1ccc(Br)cc1)C(C)(C)C ZINC000859437825 1137014809 /nfs/dbraw/zinc/01/48/09/1137014809.db2.gz FVYSBBONUGMEBL-ZDUSSCGKSA-N 1 1 339.277 3.978 20 30 EHEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000859445070 1137015181 /nfs/dbraw/zinc/01/51/81/1137015181.db2.gz KQLOOAJFKDLEPA-QGZVFWFLSA-N 1 1 327.472 3.513 20 30 EHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859928009 1137037153 /nfs/dbraw/zinc/03/71/53/1137037153.db2.gz XJIWDUJKNGSKEB-UWHLTILDSA-N 1 1 346.430 3.508 20 30 EHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859928009 1137037154 /nfs/dbraw/zinc/03/71/54/1137037154.db2.gz XJIWDUJKNGSKEB-UWHLTILDSA-N 1 1 346.430 3.508 20 30 EHEDMO C[C@@H](C[N@H+](C)Cc1ccc(C#N)cc1Cl)NC(=O)OC(C)(C)C ZINC000860097643 1137044057 /nfs/dbraw/zinc/04/40/57/1137044057.db2.gz USOVLFDQJYCOCC-LBPRGKRZSA-N 1 1 337.851 3.557 20 30 EHEDMO C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1Cl)NC(=O)OC(C)(C)C ZINC000860097643 1137044058 /nfs/dbraw/zinc/04/40/58/1137044058.db2.gz USOVLFDQJYCOCC-LBPRGKRZSA-N 1 1 337.851 3.557 20 30 EHEDMO Cc1nc(-c2cccc(-c3noc([C@H]([NH3+])CCCC#N)n3)c2)cs1 ZINC000822962082 1137081197 /nfs/dbraw/zinc/08/11/97/1137081197.db2.gz QGXQGRHEMNRYSE-CQSZACIVSA-N 1 1 339.424 3.862 20 30 EHEDMO N#CCCC[C@@H]([NH3+])c1nc(COc2cccc(Cl)c2Cl)no1 ZINC000823295222 1137094959 /nfs/dbraw/zinc/09/49/59/1137094959.db2.gz DXGHGAQJWWZFCP-SNVBAGLBSA-N 1 1 341.198 3.649 20 30 EHEDMO C[C@@H]1CCC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C(=O)OC(C)(C)C ZINC000823508961 1137103983 /nfs/dbraw/zinc/10/39/83/1137103983.db2.gz BGUAOXAWWFGGAX-QAPCUYQASA-N 1 1 344.455 3.531 20 30 EHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C(=O)OC(C)(C)C ZINC000823508961 1137103985 /nfs/dbraw/zinc/10/39/85/1137103985.db2.gz BGUAOXAWWFGGAX-QAPCUYQASA-N 1 1 344.455 3.531 20 30 EHEDMO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000824143570 1137125945 /nfs/dbraw/zinc/12/59/45/1137125945.db2.gz WCDHDRVBDLXLSC-HNNXBMFYSA-N 1 1 345.450 3.996 20 30 EHEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(OCC(F)F)cc1)CC2 ZINC001136935768 1137152371 /nfs/dbraw/zinc/15/23/71/1137152371.db2.gz RVKYIDGBTHGHRK-UHFFFAOYSA-N 1 1 328.362 3.760 20 30 EHEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(OCC(F)F)cc1)CC2 ZINC001136935768 1137152373 /nfs/dbraw/zinc/15/23/73/1137152373.db2.gz RVKYIDGBTHGHRK-UHFFFAOYSA-N 1 1 328.362 3.760 20 30 EHEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)cc2)CC1 ZINC000824928654 1137157958 /nfs/dbraw/zinc/15/79/58/1137157958.db2.gz YAWKGTHQTKZIMD-MOPGFXCFSA-N 1 1 336.435 3.923 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCc3c(CC#N)cccc3C2)c1O ZINC000863335882 1137181208 /nfs/dbraw/zinc/18/12/08/1137181208.db2.gz LLRUDJVYSVMSIE-UHFFFAOYSA-N 1 1 348.446 3.754 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cc(F)cc(F)c1C)CC2 ZINC001143764289 1137196771 /nfs/dbraw/zinc/19/67/71/1137196771.db2.gz VYIPVVNUOBPUHJ-FQEVSTJZSA-N 1 1 348.437 3.806 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@H](C)Nc1ccc([NH+]2CCC(C)CC2)cc1 ZINC000863851021 1137205346 /nfs/dbraw/zinc/20/53/46/1137205346.db2.gz ARTCURCSMDPLMT-SFHVURJKSA-N 1 1 341.499 3.924 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc([NH+]2CCC(C)CC2)cc1 ZINC000863851020 1137205387 /nfs/dbraw/zinc/20/53/87/1137205387.db2.gz ARTCURCSMDPLMT-GOSISDBHSA-N 1 1 341.499 3.924 20 30 EHEDMO N#CCc1ccc(C[N@@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000844374762 1137213918 /nfs/dbraw/zinc/21/39/18/1137213918.db2.gz MJCADWSABWDBDQ-HXUWFJFHSA-N 1 1 340.854 3.890 20 30 EHEDMO C[C@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CCc2ccc(Cl)cc21 ZINC000844395819 1137217068 /nfs/dbraw/zinc/21/70/68/1137217068.db2.gz DWAKPDVKJVHEBE-VBKZILBWSA-N 1 1 340.854 3.907 20 30 EHEDMO COc1ccc(C[NH+]2CCC(CC#N)CC2)c(OC(F)(F)F)c1 ZINC001144051600 1137232199 /nfs/dbraw/zinc/23/21/99/1137232199.db2.gz OZEFFWTZIQIHDC-UHFFFAOYSA-N 1 1 328.334 3.719 20 30 EHEDMO N#Cc1cncc(C[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)c1 ZINC001144074666 1137236304 /nfs/dbraw/zinc/23/63/04/1137236304.db2.gz ZGENLPKAEVTQMT-UHFFFAOYSA-N 1 1 327.815 3.650 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)nc1 ZINC001144153567 1137245819 /nfs/dbraw/zinc/24/58/19/1137245819.db2.gz FIVMNXNHEOFZNK-UHFFFAOYSA-N 1 1 327.815 3.650 20 30 EHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)CC12CCCC2 ZINC000844687079 1137247112 /nfs/dbraw/zinc/24/71/12/1137247112.db2.gz BIVZWNANABBUHF-UHFFFAOYSA-N 1 1 325.456 3.519 20 30 EHEDMO C=C(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C(F)(F)F ZINC001144215584 1137252459 /nfs/dbraw/zinc/25/24/59/1137252459.db2.gz WJJQDWUPAKUHTK-OAHLLOKOSA-N 1 1 340.389 3.522 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](C2CCC2)C1 ZINC001171157227 1137268579 /nfs/dbraw/zinc/26/85/79/1137268579.db2.gz TVXLYHJGCXQMOU-SWLSCSKDSA-N 1 1 331.847 3.661 20 30 EHEDMO N#Cc1ccc(O[C@H]2CC[N@H+]([C@@H]3CCc4cc(Cl)ccc43)C2)nc1 ZINC000794834275 1137271076 /nfs/dbraw/zinc/27/10/76/1137271076.db2.gz UOVUYRBRNXDXEW-FUHWJXTLSA-N 1 1 339.826 3.747 20 30 EHEDMO C=CC[NH+]1CCN([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171163529 1137275108 /nfs/dbraw/zinc/27/51/08/1137275108.db2.gz NKTXNIVEEDFZEM-OAHLLOKOSA-N 1 1 325.283 3.654 20 30 EHEDMO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](c2nccn2C)c2ccccc2OC)C1 ZINC000845921210 1137320308 /nfs/dbraw/zinc/32/03/08/1137320308.db2.gz KLAWEWNSJSIKHK-GPMSIDNRSA-N 1 1 325.456 3.853 20 30 EHEDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2cc(C(F)(F)F)cc(C#N)n2)C1 ZINC000865930035 1137320821 /nfs/dbraw/zinc/32/08/21/1137320821.db2.gz HAJOGGXAIQURLK-NSHDSACASA-N 1 1 326.366 3.504 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001171204687 1137325882 /nfs/dbraw/zinc/32/58/82/1137325882.db2.gz ZSPBNPDQYVPRFY-WMLDXEAASA-N 1 1 330.428 3.515 20 30 EHEDMO CCOC(=O)[C@]1(C)CCCC[N@H+]([C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171208367 1137328990 /nfs/dbraw/zinc/32/89/90/1137328990.db2.gz BFAPMXLCPFDVFH-OXJNMPFZSA-N 1 1 328.456 3.545 20 30 EHEDMO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3[C@H](C)Cc2cccc(C#N)c2)o1 ZINC001171212221 1137334190 /nfs/dbraw/zinc/33/41/90/1137334190.db2.gz KLCKKXFTMHABTP-URZJWIJPSA-N 1 1 349.478 3.740 20 30 EHEDMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3[C@H](C)Cc2cccc(C#N)c2)o1 ZINC001171212221 1137334192 /nfs/dbraw/zinc/33/41/92/1137334192.db2.gz KLCKKXFTMHABTP-URZJWIJPSA-N 1 1 349.478 3.740 20 30 EHEDMO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3[C@H](C)Cc2cccc(C#N)c2)o1 ZINC001171212221 1137334194 /nfs/dbraw/zinc/33/41/94/1137334194.db2.gz KLCKKXFTMHABTP-URZJWIJPSA-N 1 1 349.478 3.740 20 30 EHEDMO CCCCOc1ncccc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866242381 1137338509 /nfs/dbraw/zinc/33/85/09/1137338509.db2.gz NXVCIRNSMVZSDO-CQSZACIVSA-N 1 1 325.412 3.689 20 30 EHEDMO CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2[O-])c1 ZINC000866246792 1137339010 /nfs/dbraw/zinc/33/90/10/1137339010.db2.gz NXVHVGPCXWCKQU-INIZCTEOSA-N 1 1 337.467 3.955 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC001171221634 1137348037 /nfs/dbraw/zinc/34/80/37/1137348037.db2.gz RBRJRQOMFBVUGV-LJQANCHMSA-N 1 1 333.479 3.697 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001171221634 1137348040 /nfs/dbraw/zinc/34/80/40/1137348040.db2.gz RBRJRQOMFBVUGV-LJQANCHMSA-N 1 1 333.479 3.697 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001171221634 1137348041 /nfs/dbraw/zinc/34/80/41/1137348041.db2.gz RBRJRQOMFBVUGV-LJQANCHMSA-N 1 1 333.479 3.697 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1Cc2cnc(-c3ccccc3)nc2C1 ZINC001171228040 1137353893 /nfs/dbraw/zinc/35/38/93/1137353893.db2.gz DHRLRCNENMQPNY-MRXNPFEDSA-N 1 1 340.430 3.962 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1Cc2cnc(-c3ccccc3)nc2C1 ZINC001171228040 1137353895 /nfs/dbraw/zinc/35/38/95/1137353895.db2.gz DHRLRCNENMQPNY-MRXNPFEDSA-N 1 1 340.430 3.962 20 30 EHEDMO C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000866618311 1137369781 /nfs/dbraw/zinc/36/97/81/1137369781.db2.gz YOOIOKSXMHJJAE-JWNTYJGQSA-N 1 1 345.490 3.526 20 30 EHEDMO 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C=CCCC(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F ZINC000263727949 1138350603 /nfs/dbraw/zinc/35/06/03/1138350603.db2.gz ZEQICJZTUYKDFX-CQSZACIVSA-N 1 1 347.434 3.543 20 30 EHEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC34CCC4)sc2C1 ZINC000334056544 1138365985 /nfs/dbraw/zinc/36/59/85/1138365985.db2.gz VROKJXSOPJFBPH-ZDUSSCGKSA-N 1 1 343.496 3.702 20 30 EHEDMO C[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H](C)[NH+]1Cc1cccc(C#N)c1 ZINC000337263470 1138512985 /nfs/dbraw/zinc/51/29/85/1138512985.db2.gz XFRIMYUZQPLZJZ-QZTJIDSGSA-N 1 1 344.462 3.525 20 30 EHEDMO C[N@@H+](CCCC(C)(C)C#N)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000174857302 1139446311 /nfs/dbraw/zinc/44/63/11/1139446311.db2.gz BXRQPYCVFBTPSM-INIZCTEOSA-N 1 1 333.863 3.707 20 30 EHEDMO CC[C@@H](C)[N@@H+](CCCC(C)(C)C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000174866497 1139446998 /nfs/dbraw/zinc/44/69/98/1139446998.db2.gz MLHRNUWTJKOKTP-OAHLLOKOSA-N 1 1 340.471 3.854 20 30 EHEDMO N#Cc1cc(F)ccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000177572516 1139627224 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JNWMNCGHERPUEP-AEFFLSMTSA-N 1 1 339.487 3.574 20 30 EHEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000268645648 1140966462 /nfs/dbraw/zinc/96/64/62/1140966462.db2.gz FPQJYQGQCKMPBQ-HKUYNNGSSA-N 1 1 340.423 3.508 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(N3CCCCCC3)nc2)c(F)c1 ZINC000269420753 1141106907 /nfs/dbraw/zinc/10/69/07/1141106907.db2.gz LROASBGUIOVPHK-UHFFFAOYSA-N 1 1 338.430 3.763 20 30 EHEDMO CC[N@@H+](Cc1c(C)nc2sc(C)nn12)[C@H](C)c1ccc(C#N)cc1 ZINC000271117762 1141309054 /nfs/dbraw/zinc/30/90/54/1141309054.db2.gz WUJYHAKBGXPYNU-CYBMUJFWSA-N 1 1 339.468 3.862 20 30 EHEDMO N#CCCOCC[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000339204443 1141527351 /nfs/dbraw/zinc/52/73/51/1141527351.db2.gz XGATWTCHAXFHNR-UHFFFAOYSA-N 1 1 347.871 3.752 20 30 EHEDMO N#CCCOCC[N@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000339204443 1141527354 /nfs/dbraw/zinc/52/73/54/1141527354.db2.gz XGATWTCHAXFHNR-UHFFFAOYSA-N 1 1 347.871 3.752 20 30 EHEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(C)cc1Br ZINC000072553327 216273492 /nfs/dbraw/zinc/27/34/92/216273492.db2.gz UZJAJUMPCFCGMP-UHFFFAOYSA-N 1 1 325.250 3.594 20 30 EHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(C)cc1Br ZINC000072553327 216273497 /nfs/dbraw/zinc/27/34/97/216273497.db2.gz UZJAJUMPCFCGMP-UHFFFAOYSA-N 1 1 325.250 3.594 20 30 EHEDMO C=CC[NH+]1CCN(c2nc(-c3ccccc3Cl)nc(C)c2C)CC1 ZINC001165034210 721872260 /nfs/dbraw/zinc/87/22/60/721872260.db2.gz HCOYMJAZZNYHJL-UHFFFAOYSA-N 1 1 342.874 3.722 20 30 EHEDMO C=C(C)Cn1c(CC(C)C)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000460808878 1032067774 /nfs/dbraw/zinc/06/77/74/1032067774.db2.gz KDKOFBRAOBHEJK-UHFFFAOYSA-N 1 1 345.535 3.507 20 30 EHEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(-n2cccn2)c(F)c1 ZINC000339421352 1014386883 /nfs/dbraw/zinc/38/68/83/1014386883.db2.gz BJUCZXLHAUHMTK-CYBMUJFWSA-N 1 1 338.361 3.873 20 30 EHEDMO C[C@@H]1CN(Cc2ccc(C#N)s2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000536669841 1032100472 /nfs/dbraw/zinc/10/04/72/1032100472.db2.gz CJFSZPOAXSHGQD-CVEARBPZSA-N 1 1 325.481 3.715 20 30 EHEDMO N#Cc1cc(Cl)ccc1C[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000187128532 1014862829 /nfs/dbraw/zinc/86/28/29/1014862829.db2.gz NYMMKFXBVHDQQB-IBGZPJMESA-N 1 1 326.827 3.693 20 30 EHEDMO N#Cc1cc(Cl)ccc1C[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000187128532 1014862842 /nfs/dbraw/zinc/86/28/42/1014862842.db2.gz NYMMKFXBVHDQQB-IBGZPJMESA-N 1 1 326.827 3.693 20 30 EHEDMO C[C@H](CC[N@H+]1CCCN(c2ccc(C#N)cn2)CC1)CC(C)(C)C ZINC001208664290 1015155016 /nfs/dbraw/zinc/15/50/16/1015155016.db2.gz LERXMKKKCYRJIG-QGZVFWFLSA-N 1 1 328.504 3.928 20 30 EHEDMO Cn1cc(C[N@@H+](CCCSCC#N)Cc2ccc(Cl)cc2)cn1 ZINC000430268899 1015606643 /nfs/dbraw/zinc/60/66/43/1015606643.db2.gz LREKLXZEWVZDMD-UHFFFAOYSA-N 1 1 348.903 3.723 20 30 EHEDMO C[N@@H+](CCCOc1ccc(Cl)cc1)CCOc1cccc(C#N)c1 ZINC001167094676 1015744720 /nfs/dbraw/zinc/74/47/20/1015744720.db2.gz YGBMERRXCDDZBP-UHFFFAOYSA-N 1 1 344.842 3.991 20 30 EHEDMO N#Cc1sc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1Cl ZINC000306767478 1015757871 /nfs/dbraw/zinc/75/78/71/1015757871.db2.gz OZHLIHCQWSQXPK-CYBMUJFWSA-N 1 1 332.860 3.745 20 30 EHEDMO C=CCCCCC[N@@H+]1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001209422742 1016246225 /nfs/dbraw/zinc/24/62/25/1016246225.db2.gz GVVOZFCYACEBRO-OAQYLSRUSA-N 1 1 344.474 3.997 20 30 EHEDMO C#Cc1ccc(NC(=O)CC[N@@H+](CC=C)Cc2ccccc2F)cc1 ZINC001167138799 1016278856 /nfs/dbraw/zinc/27/88/56/1016278856.db2.gz PQBABTNHWOQJBB-UHFFFAOYSA-N 1 1 336.410 3.824 20 30 EHEDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H]1C ZINC000247021222 1016299271 /nfs/dbraw/zinc/29/92/71/1016299271.db2.gz UOWFXYKGKPYFSP-OLZOCXBDSA-N 1 1 331.485 3.557 20 30 EHEDMO C=CC[N@H+](CCc1nc2ccccc2n1C)Cc1ccc(OC)cc1 ZINC000510220841 1016493419 /nfs/dbraw/zinc/49/34/19/1016493419.db2.gz FEHFNXSRYWQPNI-UHFFFAOYSA-N 1 1 335.451 3.813 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000025424167 1016600310 /nfs/dbraw/zinc/60/03/10/1016600310.db2.gz QBOMIIUXWHFXDP-XJKSGUPXSA-N 1 1 325.437 3.784 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000025424167 1016600323 /nfs/dbraw/zinc/60/03/23/1016600323.db2.gz QBOMIIUXWHFXDP-XJKSGUPXSA-N 1 1 325.437 3.784 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC000414490044 1016934394 /nfs/dbraw/zinc/93/43/94/1016934394.db2.gz UVOLSBUINRPRHB-SJLPKXTDSA-N 1 1 346.352 3.885 20 30 EHEDMO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC000414490044 1016934398 /nfs/dbraw/zinc/93/43/98/1016934398.db2.gz UVOLSBUINRPRHB-SJLPKXTDSA-N 1 1 346.352 3.885 20 30 EHEDMO C=CC[N@H+](Cc1cc(Br)c(O)c(OCC)c1)C1CC1 ZINC000459491067 1032214509 /nfs/dbraw/zinc/21/45/09/1032214509.db2.gz WGPYRQBRDPGGBM-UHFFFAOYSA-N 1 1 326.234 3.704 20 30 EHEDMO N#CCCOCC[N@H+]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459591537 1032312001 /nfs/dbraw/zinc/31/20/01/1032312001.db2.gz LKKOUTJBADAENW-MRXNPFEDSA-N 1 1 332.835 3.674 20 30 EHEDMO N#CCCOCC[N@@H+]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459591537 1032312021 /nfs/dbraw/zinc/31/20/21/1032312021.db2.gz LKKOUTJBADAENW-MRXNPFEDSA-N 1 1 332.835 3.674 20 30 EHEDMO COc1ccc(Br)c(C[NH2+]Cc2ccc(C#N)s2)c1 ZINC000538405460 1032331340 /nfs/dbraw/zinc/33/13/40/1032331340.db2.gz OYEVXZORAVLNTB-UHFFFAOYSA-N 1 1 337.242 3.681 20 30 EHEDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000449363376 1032499925 /nfs/dbraw/zinc/49/99/25/1032499925.db2.gz NRSAHTPSKQGFHW-OUCADQQQSA-N 1 1 336.361 3.757 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2cc(F)cc(Br)c2)c(F)c1 ZINC000537233816 1032571159 /nfs/dbraw/zinc/57/11/59/1032571159.db2.gz BRWNDVBEMKDICC-UHFFFAOYSA-N 1 1 337.167 3.889 20 30 EHEDMO N#Cc1ccccc1C[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000449436202 1032580909 /nfs/dbraw/zinc/58/09/09/1032580909.db2.gz GRZXBCZLLWFFOD-QGZVFWFLSA-N 1 1 334.341 3.790 20 30 EHEDMO C=CCCC[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000537266760 1032587955 /nfs/dbraw/zinc/58/79/55/1032587955.db2.gz KRWQXNOXBKFHCL-CMKODMSKSA-N 1 1 343.515 3.941 20 30 EHEDMO Cc1cc(C)c2ncc(C#N)c(NCC[NH+]3Cc4ccccc4C3)c2c1 ZINC000610274596 1017265867 /nfs/dbraw/zinc/26/58/67/1017265867.db2.gz OKFZXZQQVHJFSG-UHFFFAOYSA-N 1 1 342.446 3.573 20 30 EHEDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C ZINC000449510973 1032696782 /nfs/dbraw/zinc/69/67/82/1032696782.db2.gz XZXDROGRDARDIE-BLLLJJGKSA-N 1 1 326.362 3.824 20 30 EHEDMO C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@@H]1c1cccs1 ZINC000176975482 1017546194 /nfs/dbraw/zinc/54/61/94/1017546194.db2.gz LTTCMBKOEGFOKA-SUMWQHHRSA-N 1 1 331.510 3.854 20 30 EHEDMO C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@@H]1c1cccs1 ZINC000176975482 1017546200 /nfs/dbraw/zinc/54/62/00/1017546200.db2.gz LTTCMBKOEGFOKA-SUMWQHHRSA-N 1 1 331.510 3.854 20 30 EHEDMO C[N@@H+]1CCC[C@@H](CNCc2ccc(C#N)s2)[C@@H]1c1cccs1 ZINC000176975482 1017546205 /nfs/dbraw/zinc/54/62/05/1017546205.db2.gz LTTCMBKOEGFOKA-SUMWQHHRSA-N 1 1 331.510 3.854 20 30 EHEDMO C[N@H+]1CCC[C@@H](CNCc2ccc(C#N)s2)[C@@H]1c1cccs1 ZINC000176975482 1017546211 /nfs/dbraw/zinc/54/62/11/1017546211.db2.gz LTTCMBKOEGFOKA-SUMWQHHRSA-N 1 1 331.510 3.854 20 30 EHEDMO C=C(C)Cn1c([C@H](C)CC)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460368047 1017617774 /nfs/dbraw/zinc/61/77/74/1017617774.db2.gz DNGRMQYAXQSREN-IXDOHACOSA-N 1 1 333.524 3.534 20 30 EHEDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1c(C#N)cnc2c(F)ccc(F)c21 ZINC000610282712 1017622902 /nfs/dbraw/zinc/62/29/02/1017622902.db2.gz DZYHMBZDWQULNM-AWEZNQCLSA-N 1 1 344.409 3.695 20 30 EHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001167342256 1018324524 /nfs/dbraw/zinc/32/45/24/1018324524.db2.gz UZSDBZRWDMQUJG-INIZCTEOSA-N 1 1 343.471 3.616 20 30 EHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001167342256 1018324530 /nfs/dbraw/zinc/32/45/30/1018324530.db2.gz UZSDBZRWDMQUJG-INIZCTEOSA-N 1 1 343.471 3.616 20 30 EHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597923230 1032772834 /nfs/dbraw/zinc/77/28/34/1032772834.db2.gz NGSXSDIXCQKZEW-CQSZACIVSA-N 1 1 341.480 3.684 20 30 EHEDMO Cc1cccc([C@@H](C)[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000610389953 1018703410 /nfs/dbraw/zinc/70/34/10/1018703410.db2.gz YVIMEYKHNSZCEN-OAHLLOKOSA-N 1 1 336.439 3.615 20 30 EHEDMO COc1ccc(C#N)cc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398165805 1018986346 /nfs/dbraw/zinc/98/63/46/1018986346.db2.gz TWENGYZTYCAEQR-LAUBAEHRSA-N 1 1 349.478 3.567 20 30 EHEDMO COc1ccc(C#N)cc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398165805 1018986363 /nfs/dbraw/zinc/98/63/63/1018986363.db2.gz TWENGYZTYCAEQR-LAUBAEHRSA-N 1 1 349.478 3.567 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000614400973 1018986772 /nfs/dbraw/zinc/98/67/72/1018986772.db2.gz ULAZWJGGGNWDMH-OAQYLSRUSA-N 1 1 348.425 3.961 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000614400973 1018986794 /nfs/dbraw/zinc/98/67/94/1018986794.db2.gz ULAZWJGGGNWDMH-OAQYLSRUSA-N 1 1 348.425 3.961 20 30 EHEDMO C[C@@H]1C[C@H](Nc2nc3c(cc2C#N)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000379678244 1019092345 /nfs/dbraw/zinc/09/23/45/1019092345.db2.gz FMVWSRFIMJWNKI-OXQOHEQNSA-N 1 1 346.478 3.907 20 30 EHEDMO N#CCOc1ccc(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000729266978 1019256078 /nfs/dbraw/zinc/25/60/78/1019256078.db2.gz GJIBOLQXXRYLBI-JOCHJYFZSA-N 1 1 343.430 3.996 20 30 EHEDMO N#CCOc1ccc(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000729266978 1019256088 /nfs/dbraw/zinc/25/60/88/1019256088.db2.gz GJIBOLQXXRYLBI-JOCHJYFZSA-N 1 1 343.430 3.996 20 30 EHEDMO O=C(Nc1ccccc1OC1CCCC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000328740841 1019483985 /nfs/dbraw/zinc/48/39/85/1019483985.db2.gz NGYDQROIXWDHGL-AEFFLSMTSA-N 1 1 343.471 3.961 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ccccc3F)CC2)c(F)c1 ZINC000513380609 1019585948 /nfs/dbraw/zinc/58/59/48/1019585948.db2.gz JUQTWERIRBRVTC-UHFFFAOYSA-N 1 1 327.378 3.549 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCCN(c3ccccc3F)CC2)c(F)c1 ZINC000513380609 1019585962 /nfs/dbraw/zinc/58/59/62/1019585962.db2.gz JUQTWERIRBRVTC-UHFFFAOYSA-N 1 1 327.378 3.549 20 30 EHEDMO CCc1ccc([C@H]2CCC[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)cc1 ZINC000513371646 1019590224 /nfs/dbraw/zinc/59/02/24/1019590224.db2.gz PNJJAMKNKMFJOQ-LEWJYISDSA-N 1 1 347.462 3.527 20 30 EHEDMO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000513420313 1019632928 /nfs/dbraw/zinc/63/29/28/1019632928.db2.gz NLYGYXYBQSYBHY-LJQANCHMSA-N 1 1 336.435 3.919 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H](CO)CC(C)(C)C ZINC000449589545 1032857740 /nfs/dbraw/zinc/85/77/40/1032857740.db2.gz SRAREBRSLIHJID-AWEZNQCLSA-N 1 1 328.378 3.806 20 30 EHEDMO Cc1cc(CN[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)ccc1C#N ZINC000580786619 1020011448 /nfs/dbraw/zinc/01/14/48/1020011448.db2.gz OOCZBCWORPZDOM-IBGZPJMESA-N 1 1 327.859 3.913 20 30 EHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(Br)cc2)cc1C#N ZINC000087833211 1020221984 /nfs/dbraw/zinc/22/19/84/1020221984.db2.gz OMKQJHDWOIHHRK-UHFFFAOYSA-N 1 1 345.240 3.961 20 30 EHEDMO CCCc1ncc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)o1 ZINC000449614229 1032887919 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EHEDMO O=C1C=COC2(CC[NH+](Cc3ccc(CSC(F)F)o3)CC2)C1 ZINC000897602383 1032930201 /nfs/dbraw/zinc/93/02/01/1032930201.db2.gz MJUIBVKQYYCEQQ-UHFFFAOYSA-N 1 1 343.395 3.573 20 30 EHEDMO Cc1sc(NC(=O)C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000246429598 1020783481 /nfs/dbraw/zinc/78/34/81/1020783481.db2.gz SWOXVAFGHBDZCP-WPGHFRTFSA-N 1 1 331.485 3.828 20 30 EHEDMO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)o2)cc1Br ZINC000135135919 1020794364 /nfs/dbraw/zinc/79/43/64/1020794364.db2.gz KQXXCKLNYMTQMS-JTQLQIEISA-N 1 1 335.201 3.773 20 30 EHEDMO C=CCc1cccc(C(C)C)c1NC(=O)NCCn1cc[nH+]c1C ZINC000276359420 1021093346 /nfs/dbraw/zinc/09/33/46/1021093346.db2.gz AHKWCTKKXNAYHG-UHFFFAOYSA-N 1 1 326.444 3.865 20 30 EHEDMO CCCCCCCC(=O)N1CCCC2(C[NH+](Cc3ccc[nH]3)C2)C1 ZINC001270134435 1021285075 /nfs/dbraw/zinc/28/50/75/1021285075.db2.gz MDLPNPWCBPHDBR-UHFFFAOYSA-N 1 1 331.504 3.800 20 30 EHEDMO CC[C@@](C)(O)C[N@@H+](CCOc1ccccc1C#N)Cc1ccccc1 ZINC000439278565 1021312899 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C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000519907868 1021756703 /nfs/dbraw/zinc/75/67/03/1021756703.db2.gz LXBIPYOWDYMKSG-UHFFFAOYSA-N 1 1 349.478 3.604 20 30 EHEDMO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000519907868 1021756716 /nfs/dbraw/zinc/75/67/16/1021756716.db2.gz LXBIPYOWDYMKSG-UHFFFAOYSA-N 1 1 349.478 3.604 20 30 EHEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000134633760 1021816327 /nfs/dbraw/zinc/81/63/27/1021816327.db2.gz FXBOHHOQQZSDQR-BBRMVZONSA-N 1 1 347.434 3.575 20 30 EHEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000134633760 1021816339 /nfs/dbraw/zinc/81/63/39/1021816339.db2.gz FXBOHHOQQZSDQR-BBRMVZONSA-N 1 1 347.434 3.575 20 30 EHEDMO COc1cc(C[N@H+]2C[C@H](C)[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000550316221 1021819494 /nfs/dbraw/zinc/81/94/94/1021819494.db2.gz UWWQNMTZMCFGFW-JKSUJKDBSA-N 1 1 336.435 3.986 20 30 EHEDMO CCC[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729483627 1021894774 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/nfs/dbraw/zinc/02/23/00/1039022300.db2.gz SFCCRWUUHWCMIJ-PGRDOPGGSA-N 1 1 333.479 3.867 20 30 EHEDMO Cc1cc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000488266318 1039022320 /nfs/dbraw/zinc/02/23/20/1039022320.db2.gz SFCCRWUUHWCMIJ-PGRDOPGGSA-N 1 1 333.479 3.867 20 30 EHEDMO C=CCN(CC=C)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512413412 1039064273 /nfs/dbraw/zinc/06/42/73/1039064273.db2.gz WECGXHPZWODLFT-UYAOXDASSA-N 1 1 341.499 3.671 20 30 EHEDMO C=CCSc1ccccc1C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000485458913 1039102740 /nfs/dbraw/zinc/10/27/40/1039102740.db2.gz ZXWSAXAEYRRORP-HOTGVXAUSA-N 1 1 332.513 3.957 20 30 EHEDMO C=CCSc1ccccc1C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000485458915 1039102975 /nfs/dbraw/zinc/10/29/75/1039102975.db2.gz ZXWSAXAEYRRORP-JKSUJKDBSA-N 1 1 332.513 3.957 20 30 EHEDMO C=CCSc1ccccc1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000485468613 1039106397 /nfs/dbraw/zinc/10/63/97/1039106397.db2.gz OZIRQZRZFLFJHL-HNNXBMFYSA-N 1 1 330.497 3.711 20 30 EHEDMO C=C(C)CNC(=S)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000044097511 1039280041 /nfs/dbraw/zinc/28/00/41/1039280041.db2.gz UTXGLNGUOSMFBD-MRXNPFEDSA-N 1 1 331.529 3.601 20 30 EHEDMO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cc[nH+]cc1Br ZINC000419022266 1039296182 /nfs/dbraw/zinc/29/61/82/1039296182.db2.gz ZQSFIZMBJYMZPS-HNNXBMFYSA-N 1 1 328.213 3.627 20 30 EHEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2ccc(C(F)(F)F)cc2C#N)C[C@@H](C)C1 ZINC000488727312 1039349471 /nfs/dbraw/zinc/34/94/71/1039349471.db2.gz GXHOBMDZEJFKCX-PBFPGSCMSA-N 1 1 337.389 3.744 20 30 EHEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H](C)C1 ZINC000488710490 1039351852 /nfs/dbraw/zinc/35/18/52/1039351852.db2.gz FCCWTIFZCNXAAZ-XNJGSVPQSA-N 1 1 337.389 3.744 20 30 EHEDMO CCC[N@@H+](CC)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000488791934 1039396403 /nfs/dbraw/zinc/39/64/03/1039396403.db2.gz MCNNXVPJENTSDQ-CYBMUJFWSA-N 1 1 333.501 3.948 20 30 EHEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2c(C)cc(C#N)cc2C)CC1 ZINC000898734259 1039481452 /nfs/dbraw/zinc/48/14/52/1039481452.db2.gz UBSSKUSWNRRAKU-UHFFFAOYSA-N 1 1 349.434 3.562 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@]2(C#N)CC3CCC2CC3)C1 ZINC000906450886 1039570635 /nfs/dbraw/zinc/57/06/35/1039570635.db2.gz ILRXRTPKKQVTAD-FETBKVSESA-N 1 1 343.515 3.570 20 30 EHEDMO C=CCC1([NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CCOCC1 ZINC000668551121 1039578797 /nfs/dbraw/zinc/57/87/97/1039578797.db2.gz HYDXNZRNSGDRAX-QUCCMNQESA-N 1 1 328.500 3.612 20 30 EHEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000485935211 1039701662 /nfs/dbraw/zinc/70/16/62/1039701662.db2.gz RFENYHVJWZDSLG-BEFAXECRSA-N 1 1 349.434 3.795 20 30 EHEDMO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(F)c1OC ZINC000893929161 1039840674 /nfs/dbraw/zinc/84/06/74/1039840674.db2.gz OGCGXMIIBVIVNT-UHFFFAOYSA-N 1 1 340.398 3.879 20 30 EHEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(F)c1OC ZINC000893929161 1039840694 /nfs/dbraw/zinc/84/06/94/1039840694.db2.gz OGCGXMIIBVIVNT-UHFFFAOYSA-N 1 1 340.398 3.879 20 30 EHEDMO CSc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)o1 ZINC000894003251 1039958092 /nfs/dbraw/zinc/95/80/92/1039958092.db2.gz HWVWQWHHVYBVON-UHFFFAOYSA-N 1 1 328.437 3.917 20 30 EHEDMO CCN(CC)C(=O)C1([NH2+]Cc2ccc(Cl)cc2C#N)CCCCC1 ZINC000480751673 1039973701 /nfs/dbraw/zinc/97/37/01/1039973701.db2.gz DLMVPUPZVCZJCQ-UHFFFAOYSA-N 1 1 347.890 3.873 20 30 EHEDMO C=CCCC[C@@H](C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000907281386 1039997607 /nfs/dbraw/zinc/99/76/07/1039997607.db2.gz HYGZFBLPLFRYQT-FXAWDEMLSA-N 1 1 326.484 3.893 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc2oc(=O)oc2c1 ZINC000894086315 1040045208 /nfs/dbraw/zinc/04/52/08/1040045208.db2.gz VDWSTVSJLXNRKP-IAGOWNOFSA-N 1 1 334.375 3.658 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc2oc(=O)oc2c1 ZINC000894086315 1040045220 /nfs/dbraw/zinc/04/52/20/1040045220.db2.gz VDWSTVSJLXNRKP-IAGOWNOFSA-N 1 1 334.375 3.658 20 30 EHEDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000245570545 1040143641 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337.511 3.936 20 30 EHEDMO Cc1nnc(NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000511647024 1040383220 /nfs/dbraw/zinc/38/32/20/1040383220.db2.gz OKBGXZTVKJZUIQ-KXBFYZLASA-N 1 1 349.482 3.678 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2ccnn2C2CCC2)cc1 ZINC000899362018 1040387957 /nfs/dbraw/zinc/38/79/57/1040387957.db2.gz HPHUQAUKCYSLGY-MDZDMXLPSA-N 1 1 332.407 3.998 20 30 EHEDMO C=C[C@H](CC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1)c1ccccc1 ZINC000553783967 1040449149 /nfs/dbraw/zinc/44/91/49/1040449149.db2.gz VOHWIZCUNNNJFS-SOAMZJECSA-N 1 1 326.484 3.535 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC#Cc1ccc(F)cc1 ZINC000481172163 1040454677 /nfs/dbraw/zinc/45/46/77/1040454677.db2.gz IBHWFSFZAFNDIS-GCJKJVERSA-N 1 1 336.454 3.677 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000481172163 1040454689 /nfs/dbraw/zinc/45/46/89/1040454689.db2.gz IBHWFSFZAFNDIS-GCJKJVERSA-N 1 1 336.454 3.677 20 30 EHEDMO C=C(CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000512677669 1040495299 /nfs/dbraw/zinc/49/52/99/1040495299.db2.gz LZLIRINPRZZUTF-NRFANRHFSA-N 1 1 349.478 3.616 20 30 EHEDMO C=C(CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000479707391 1040550923 /nfs/dbraw/zinc/55/09/23/1040550923.db2.gz MUNYEPRLKAZKNT-HDICACEKSA-N 1 1 343.515 3.757 20 30 EHEDMO N#CCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000555422834 1040562434 /nfs/dbraw/zinc/56/24/34/1040562434.db2.gz JCQAPGVPTPZHAU-UHFFFAOYSA-N 1 1 327.306 3.739 20 30 EHEDMO CCCC[C@@H](ON=C(C)C)C(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000899509269 1040618356 /nfs/dbraw/zinc/61/83/56/1040618356.db2.gz VENGWLBOPWZEMH-QGZVFWFLSA-N 1 1 348.491 3.704 20 30 EHEDMO COc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1OCCCC#N ZINC000600190242 1040800977 /nfs/dbraw/zinc/80/09/77/1040800977.db2.gz NTOMAHVJFCGSAI-SJORKVTESA-N 1 1 346.496 3.848 20 30 EHEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000123427527 1040842635 /nfs/dbraw/zinc/84/26/35/1040842635.db2.gz FYWYWNULZTVFPT-UHFFFAOYSA-N 1 1 341.842 3.593 20 30 EHEDMO Cc1[nH+]ccn1CCCNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000078333655 1041020067 /nfs/dbraw/zinc/02/00/67/1041020067.db2.gz SIVKABNCLTVSGQ-UHFFFAOYSA-N 1 1 325.803 3.767 20 30 EHEDMO C=CCc1cc(CNC[C@@H]2CCCC[N@@H+]2CCCC)cc(OC)c1O ZINC000500926147 1041266710 /nfs/dbraw/zinc/26/67/10/1041266710.db2.gz ZQNLHFIEQUHKDL-IBGZPJMESA-N 1 1 346.515 3.874 20 30 EHEDMO C=CCc1cc(C[NH2+]C[C@@H]2CCCCN2CCCC)cc(OC)c1O ZINC000500926147 1041266723 /nfs/dbraw/zinc/26/67/23/1041266723.db2.gz ZQNLHFIEQUHKDL-IBGZPJMESA-N 1 1 346.515 3.874 20 30 EHEDMO C[NH+](C)[C@H](C(=O)N(CCC#N)CC(C)(C)C)c1ccc(Cl)cc1 ZINC001125955116 1041579011 /nfs/dbraw/zinc/57/90/11/1041579011.db2.gz HUSKXUFHBCAKBH-INIZCTEOSA-N 1 1 335.879 3.731 20 30 EHEDMO C[C@@H]1CC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1(C)C ZINC000759924650 1041719771 /nfs/dbraw/zinc/71/97/71/1041719771.db2.gz YDEDRELOMAUELH-GDBMZVCRSA-N 1 1 348.450 3.592 20 30 EHEDMO C[C@@H]1CC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1(C)C ZINC000759924653 1041719998 /nfs/dbraw/zinc/71/99/98/1041719998.db2.gz YDEDRELOMAUELH-ZBFHGGJFSA-N 1 1 348.450 3.592 20 30 EHEDMO C[C@H]1CC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1(C)C ZINC000759924651 1041720694 /nfs/dbraw/zinc/72/06/94/1041720694.db2.gz YDEDRELOMAUELH-GOEBONIOSA-N 1 1 348.450 3.592 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000893419921 1041938296 /nfs/dbraw/zinc/93/82/96/1041938296.db2.gz ILHZQYPEXDQZGH-IYBDPMFKSA-N 1 1 334.460 3.613 20 30 EHEDMO C[NH+](C)[C@H](CNC(=O)Nc1ccc(C#N)cc1)c1ccccc1Cl ZINC000045027206 1042025054 /nfs/dbraw/zinc/02/50/54/1042025054.db2.gz WDYAXXBMSSHBLS-QGZVFWFLSA-N 1 1 342.830 3.636 20 30 EHEDMO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cc2ccccc2o1 ZINC000181778969 1042107286 /nfs/dbraw/zinc/10/72/86/1042107286.db2.gz PVCMWLNPDGECME-LLVKDONJSA-N 1 1 325.393 3.655 20 30 EHEDMO COC[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1cccc(OC)c1 ZINC000661480253 1042141460 /nfs/dbraw/zinc/14/14/60/1042141460.db2.gz SCSZMSLFFOUWDY-LJQANCHMSA-N 1 1 329.827 3.677 20 30 EHEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1C ZINC000661881993 1042390712 /nfs/dbraw/zinc/39/07/12/1042390712.db2.gz YILONLUOVUQZPA-WIYYLYMNSA-N 1 1 344.499 3.755 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2ccc(OCC)cc2)no1 ZINC000662082448 1042503956 /nfs/dbraw/zinc/50/39/56/1042503956.db2.gz VCCGTVCORDVJME-IYBDPMFKSA-N 1 1 325.412 3.818 20 30 EHEDMO CC1(C)C[C@@H](c2ccccc2)[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599439762 1042540868 /nfs/dbraw/zinc/54/08/68/1042540868.db2.gz DZULDMWFCOKSKU-MOPGFXCFSA-N 1 1 342.483 3.531 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CCCC1 ZINC000063505393 1042703350 /nfs/dbraw/zinc/70/33/50/1042703350.db2.gz RPXYZYXRVUTCRT-UHFFFAOYSA-N 1 1 331.485 3.702 20 30 EHEDMO C=C[C@](C)(CC)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000188601668 1042706750 /nfs/dbraw/zinc/70/67/50/1042706750.db2.gz RMYBBYATNLPCOS-PZJWPPBQSA-N 1 1 328.500 3.959 20 30 EHEDMO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc2ccccc2s1 ZINC000344147690 1043332095 /nfs/dbraw/zinc/33/20/95/1043332095.db2.gz QHSGWLGGXMKQNM-UHFFFAOYSA-N 1 1 337.448 3.817 20 30 EHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc2ccccc2s1 ZINC000344147690 1043332109 /nfs/dbraw/zinc/33/21/09/1043332109.db2.gz QHSGWLGGXMKQNM-UHFFFAOYSA-N 1 1 337.448 3.817 20 30 EHEDMO COC[C@H]([NH2+]Cc1cc(C#N)ccc1OC)c1cccc(Cl)c1 ZINC000344280995 1043586008 /nfs/dbraw/zinc/58/60/08/1043586008.db2.gz HVRFBHQTHLYPTD-KRWDZBQOSA-N 1 1 330.815 3.698 20 30 EHEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1cccc(F)c1 ZINC000279377467 1044021829 /nfs/dbraw/zinc/02/18/29/1044021829.db2.gz JTFICCQHXFLVMW-UHFFFAOYSA-N 1 1 349.413 3.630 20 30 EHEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1F ZINC000279429598 1044076403 /nfs/dbraw/zinc/07/64/03/1044076403.db2.gz QECKLURBGWUGPY-UHFFFAOYSA-N 1 1 349.413 3.630 20 30 EHEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1F ZINC000279429598 1044076418 /nfs/dbraw/zinc/07/64/18/1044076418.db2.gz QECKLURBGWUGPY-UHFFFAOYSA-N 1 1 349.413 3.630 20 30 EHEDMO N#CCC[C@H]([NH2+]Cc1ccc(Br)cn1)c1ccccc1 ZINC000344832810 1044500831 /nfs/dbraw/zinc/50/08/31/1044500831.db2.gz WSOGOZRSVWYUTJ-INIZCTEOSA-N 1 1 330.229 3.979 20 30 EHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CCc1cccs1 ZINC000072800698 1126888022 /nfs/dbraw/zinc/88/80/22/1126888022.db2.gz DXRBVVQGGWSAFL-GFCCVEGCSA-N 1 1 347.871 3.775 20 30 EHEDMO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000763901866 1126933373 /nfs/dbraw/zinc/93/33/73/1126933373.db2.gz KMSYQULBNKKQGC-LJQANCHMSA-N 1 1 335.451 3.690 20 30 EHEDMO CC[C@H]1[C@H](C)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000185618714 1126959736 /nfs/dbraw/zinc/95/97/36/1126959736.db2.gz SVDOIDMTLLXWLF-DOMZBBRYSA-N 1 1 331.485 3.557 20 30 EHEDMO C[C@H](NCC#Cc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185711095 1126990457 /nfs/dbraw/zinc/99/04/57/1126990457.db2.gz RNCYGRLHPYRTGG-WMZOPIPTSA-N 1 1 330.903 3.934 20 30 EHEDMO C=CCCC[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000181419399 1127276056 /nfs/dbraw/zinc/27/60/56/1127276056.db2.gz VPRGNPXBLLZYRI-GOSISDBHSA-N 1 1 329.488 3.649 20 30 EHEDMO C=CCCCCCNC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000654524268 1127504728 /nfs/dbraw/zinc/50/47/28/1127504728.db2.gz WCBYURLMBZTFQI-UHFFFAOYSA-N 1 1 330.476 3.536 20 30 EHEDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2ccc(-c3ccc(C#N)cc3)n2)n1 ZINC000765107912 1127576087 /nfs/dbraw/zinc/57/60/87/1127576087.db2.gz ZDMRCMQHQRDZHE-NRFANRHFSA-N 1 1 343.434 3.920 20 30 EHEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cn2ccc(-c3ccc(C#N)cc3)n2)n1 ZINC000765107912 1127576090 /nfs/dbraw/zinc/57/60/90/1127576090.db2.gz ZDMRCMQHQRDZHE-NRFANRHFSA-N 1 1 343.434 3.920 20 30 EHEDMO CCCC(C)(C)[N@@H+](CC(=O)N(CC)CCC#N)Cc1cccs1 ZINC000338594174 1127874839 /nfs/dbraw/zinc/87/48/39/1127874839.db2.gz OVWBSLNTXBMRIU-UHFFFAOYSA-N 1 1 335.517 3.891 20 30 EHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000108360965 1128131875 /nfs/dbraw/zinc/13/18/75/1128131875.db2.gz BXCLMIWNDYDQDN-KBPBESRZSA-N 1 1 331.485 3.607 20 30 EHEDMO C=CCn1c([C@@H](C)CC)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC000508893643 1128419267 /nfs/dbraw/zinc/41/92/67/1128419267.db2.gz IAHUPQLVSLKQTI-KRWDZBQOSA-N 1 1 347.551 3.926 20 30 EHEDMO CC(C)C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cccs1 ZINC000347629594 1128456441 /nfs/dbraw/zinc/45/64/41/1128456441.db2.gz CIYAEDYUBNUUON-NVXWUHKLSA-N 1 1 327.453 3.523 20 30 EHEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCc2ccccc2C1 ZINC000106887190 1128516134 /nfs/dbraw/zinc/51/61/34/1128516134.db2.gz QPKARZSSFNZBCU-UHFFFAOYSA-N 1 1 339.826 3.599 20 30 EHEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCc2ccccc2C1 ZINC000106887190 1128516137 /nfs/dbraw/zinc/51/61/37/1128516137.db2.gz QPKARZSSFNZBCU-UHFFFAOYSA-N 1 1 339.826 3.599 20 30 EHEDMO COc1ccc([C@H]2C[C@H]([N@H+]3CCc4cc(C#N)ccc4C3)CCO2)cc1 ZINC001168638808 1128550811 /nfs/dbraw/zinc/55/08/11/1128550811.db2.gz XXBWWSMWSHJZRX-IFMALSPDSA-N 1 1 348.446 3.845 20 30 EHEDMO N#Cc1ccc(NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)nc1 ZINC000301086093 1128572441 /nfs/dbraw/zinc/57/24/41/1128572441.db2.gz MOJDWCAUVQHVLU-MRXNPFEDSA-N 1 1 344.821 3.995 20 30 EHEDMO CC(=O)c1ccc(C#N)c(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000302026120 1128615634 /nfs/dbraw/zinc/61/56/34/1128615634.db2.gz KVVKTGWRKNDCKX-IBGZPJMESA-N 1 1 337.423 3.993 20 30 EHEDMO C[N@H+]1CCC[C@H]2CN(c3c(C#N)cnc4ccc(Cl)cc43)CC[C@H]21 ZINC000301699564 1128602412 /nfs/dbraw/zinc/60/24/12/1128602412.db2.gz FAQOIYMKMQPVFP-SCLBCKFNSA-N 1 1 340.858 3.680 20 30 EHEDMO C[C@@H](CCNc1ccc(C#N)c([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000357502258 1128604123 /nfs/dbraw/zinc/60/41/23/1128604123.db2.gz KRJJMOLKVBGORX-HNNXBMFYSA-N 1 1 338.411 3.789 20 30 EHEDMO CC(=O)c1ccc(C#N)cc1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000302092762 1128619662 /nfs/dbraw/zinc/61/96/62/1128619662.db2.gz HRZXVSRHCATWPR-HXUWFJFHSA-N 1 1 347.462 3.737 20 30 EHEDMO CC(=O)c1ccc(C#N)cc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000302115526 1128620207 /nfs/dbraw/zinc/62/02/07/1128620207.db2.gz RJVVXJHBLKRCPP-HXUWFJFHSA-N 1 1 347.462 3.862 20 30 EHEDMO CC(=O)c1ccc(C#N)cc1NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000302113517 1128620530 /nfs/dbraw/zinc/62/05/30/1128620530.db2.gz BMWQFHZNPUUDIF-UHFFFAOYSA-N 1 1 334.423 3.677 20 30 EHEDMO CC[N@H+]1CC[C@H](Nc2ccc(C#N)cn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000302136852 1128621618 /nfs/dbraw/zinc/62/16/18/1128621618.db2.gz DJYGRGQSYGUOBI-MAUKXSAKSA-N 1 1 346.356 3.618 20 30 EHEDMO CC[N@@H+]1CC[C@H](Nc2ccc(C#N)cn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000302136852 1128621617 /nfs/dbraw/zinc/62/16/17/1128621617.db2.gz DJYGRGQSYGUOBI-MAUKXSAKSA-N 1 1 346.356 3.618 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000302227313 1128627324 /nfs/dbraw/zinc/62/73/24/1128627324.db2.gz WSPSURSTPJBGAO-DOTOQJQBSA-N 1 1 342.443 3.557 20 30 EHEDMO Cc1ccc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc1C#N ZINC000302839919 1128650626 /nfs/dbraw/zinc/65/06/26/1128650626.db2.gz ZSBNPUISNBRLGO-MAUKXSAKSA-N 1 1 344.821 3.912 20 30 EHEDMO Cc1ccc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc1C#N ZINC000302839919 1128650628 /nfs/dbraw/zinc/65/06/28/1128650628.db2.gz ZSBNPUISNBRLGO-MAUKXSAKSA-N 1 1 344.821 3.912 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000303737797 1128691105 /nfs/dbraw/zinc/69/11/05/1128691105.db2.gz XXSWQTRAMBPOMQ-JXFKEZNVSA-N 1 1 333.435 3.747 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000303829367 1128699818 /nfs/dbraw/zinc/69/98/18/1128699818.db2.gz LHCQAINDSLPEJF-SFHVURJKSA-N 1 1 340.398 3.922 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000303838248 1128700095 /nfs/dbraw/zinc/70/00/95/1128700095.db2.gz MPCBNMBZWHILHC-UHFFFAOYSA-N 1 1 328.456 3.989 20 30 EHEDMO N#Cc1cnc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000060372274 1128726509 /nfs/dbraw/zinc/72/65/09/1128726509.db2.gz FSPFOKNQERAVHG-MRXNPFEDSA-N 1 1 326.831 3.683 20 30 EHEDMO C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000073103278 1128751985 /nfs/dbraw/zinc/75/19/85/1128751985.db2.gz QZNCZLPRGDFFQK-GFCCVEGCSA-N 1 1 345.805 3.982 20 30 EHEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000073103278 1128751987 /nfs/dbraw/zinc/75/19/87/1128751987.db2.gz QZNCZLPRGDFFQK-GFCCVEGCSA-N 1 1 345.805 3.982 20 30 EHEDMO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1csc2ccccc21 ZINC000734506442 1131243381 /nfs/dbraw/zinc/24/33/81/1131243381.db2.gz SNNQEMXYMRGLRP-SGTLLEGYSA-N 1 1 335.432 3.650 20 30 EHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1nc2ccccc2nc1C ZINC000063388338 1128874641 /nfs/dbraw/zinc/87/46/41/1128874641.db2.gz XCVMXADUAHHJKG-UHFFFAOYSA-N 1 1 328.419 3.998 20 30 EHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1nc2ccccc2nc1C ZINC000063388338 1128874643 /nfs/dbraw/zinc/87/46/43/1128874643.db2.gz XCVMXADUAHHJKG-UHFFFAOYSA-N 1 1 328.419 3.998 20 30 EHEDMO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000063522161 1128881837 /nfs/dbraw/zinc/88/18/37/1128881837.db2.gz BBXDVKPVFOQDJI-CYBMUJFWSA-N 1 1 343.377 3.858 20 30 EHEDMO C=CCC[C@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001687384443 1120244016 /nfs/dbraw/zinc/24/40/16/1120244016.db2.gz NKTRXDNOCVUGTB-UXHICEINSA-N 1 1 341.499 3.710 20 30 EHEDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1C ZINC000191855868 1120699332 /nfs/dbraw/zinc/69/93/32/1120699332.db2.gz BBVREXXYYJROBN-UZLBHIALSA-N 1 1 348.446 3.856 20 30 EHEDMO C=C[C@H]1CCCCN1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000494672102 1120717023 /nfs/dbraw/zinc/71/70/23/1120717023.db2.gz GGWSZWATTYGUFR-IBGZPJMESA-N 1 1 341.499 3.573 20 30 EHEDMO Cc1cc(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)ccc1C#N ZINC000487924616 1121263135 /nfs/dbraw/zinc/26/31/35/1121263135.db2.gz XZHLYCLCFLMYON-ICSRJNTNSA-N 1 1 325.500 3.953 20 30 EHEDMO C#Cc1cccc(NC(=O)NC[C@@H](CC)[N@H+]2CCc3ccccc3C2)c1 ZINC000915339669 1121346299 /nfs/dbraw/zinc/34/62/99/1121346299.db2.gz COSHXAKMVYYQAR-OAQYLSRUSA-N 1 1 347.462 3.626 20 30 EHEDMO C[C@@H](C#N)C[N@@H+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000495719103 1121377289 /nfs/dbraw/zinc/37/72/89/1121377289.db2.gz HODDXCDRPLUMSU-HOTGVXAUSA-N 1 1 335.492 3.648 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCC[C@H]1C ZINC000487985702 1121538618 /nfs/dbraw/zinc/53/86/18/1121538618.db2.gz FYMVEVFVZBFVSC-CJNGLKHVSA-N 1 1 338.398 3.797 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000749940187 1121639718 /nfs/dbraw/zinc/63/97/18/1121639718.db2.gz XHJMQSJSGOSCRN-RTBURBONSA-N 1 1 325.456 3.519 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000749940187 1121639722 /nfs/dbraw/zinc/63/97/22/1121639722.db2.gz XHJMQSJSGOSCRN-RTBURBONSA-N 1 1 325.456 3.519 20 30 EHEDMO C[C@@H]1CC2(C[N@H+]1CCCCC#N)CCN(C(=O)OC(C)(C)C)CC2 ZINC000496160550 1121976203 /nfs/dbraw/zinc/97/62/03/1121976203.db2.gz UKWIFNHDSBNJEA-MRXNPFEDSA-N 1 1 335.492 3.792 20 30 EHEDMO C[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496386165 1122069974 /nfs/dbraw/zinc/06/99/74/1122069974.db2.gz KVPCGOYUDDYVAZ-JKSUJKDBSA-N 1 1 337.508 3.799 20 30 EHEDMO C[N@@H+](Cc1cccc(F)c1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496959695 1122219731 /nfs/dbraw/zinc/21/97/31/1122219731.db2.gz GMWGTFOQINYTMP-UHFFFAOYSA-N 1 1 347.434 3.529 20 30 EHEDMO C=CC[N@@H+](C[C@@H](O)COc1ccc(-c2ccccc2)cc1)C(C)C ZINC000917069233 1122475278 /nfs/dbraw/zinc/47/52/78/1122475278.db2.gz LJIKGPKTXOUCLQ-HXUWFJFHSA-N 1 1 325.452 3.990 20 30 EHEDMO C=CC[N@H+](CC(=O)Nc1ccc(C)cc1Br)C(C)C ZINC000917167190 1122542624 /nfs/dbraw/zinc/54/26/24/1122542624.db2.gz ZPRAIRWQKGPIPD-UHFFFAOYSA-N 1 1 325.250 3.592 20 30 EHEDMO C=CC[N@@H+](CC(=O)Nc1ccc(C)cc1Br)C(C)C ZINC000917167190 1122542625 /nfs/dbraw/zinc/54/26/25/1122542625.db2.gz ZPRAIRWQKGPIPD-UHFFFAOYSA-N 1 1 325.250 3.592 20 30 EHEDMO N#Cc1ccccc1OCC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000497617647 1122611000 /nfs/dbraw/zinc/61/10/00/1122611000.db2.gz HAKZLTPNTKLLJT-UHFFFAOYSA-N 1 1 328.362 3.880 20 30 EHEDMO N#Cc1ccccc1OCC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000497617647 1122611002 /nfs/dbraw/zinc/61/10/02/1122611002.db2.gz HAKZLTPNTKLLJT-UHFFFAOYSA-N 1 1 328.362 3.880 20 30 EHEDMO C=C(C)CN(C)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000498285532 1122836266 /nfs/dbraw/zinc/83/62/66/1122836266.db2.gz NAEKCXLAFKFEPR-PKOBYXMFSA-N 1 1 329.488 3.505 20 30 EHEDMO N#Cc1ccc(C[N@H+](CCC(=O)Nc2ccccc2F)C2CC2)cc1 ZINC000194961661 1123094041 /nfs/dbraw/zinc/09/40/41/1123094041.db2.gz FJUKKLQHUXGUDE-UHFFFAOYSA-N 1 1 337.398 3.691 20 30 EHEDMO CC(C)c1cnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000498899488 1123102442 /nfs/dbraw/zinc/10/24/42/1123102442.db2.gz RXTPSTICXSXOBC-UHFFFAOYSA-N 1 1 340.496 3.850 20 30 EHEDMO CCCCCCCC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000920293698 1123355191 /nfs/dbraw/zinc/35/51/91/1123355191.db2.gz XEYUIJFCLKIWMX-SFHVURJKSA-N 1 1 346.515 3.884 20 30 EHEDMO CCCCCCCC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000920293698 1123355195 /nfs/dbraw/zinc/35/51/95/1123355195.db2.gz XEYUIJFCLKIWMX-SFHVURJKSA-N 1 1 346.515 3.884 20 30 EHEDMO COc1cccc(O)c1/C=N/Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000920387039 1123363163 /nfs/dbraw/zinc/36/31/63/1123363163.db2.gz KFGTWDPBEOLXLY-CIAFOILYSA-N 1 1 339.370 3.653 20 30 EHEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(Cc2ccccc2CO)CC1 ZINC000347685739 1129123654 /nfs/dbraw/zinc/12/36/54/1129123654.db2.gz RJYCRFLNDYXBTP-UHFFFAOYSA-N 1 1 338.426 3.644 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C(C)C)C1CCOCC1 ZINC000077323018 1123549582 /nfs/dbraw/zinc/54/95/82/1123549582.db2.gz VKZOUDDCNBADRV-UHFFFAOYSA-N 1 1 348.512 3.793 20 30 EHEDMO COc1ccc(COCC[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000609385286 1123568087 /nfs/dbraw/zinc/56/80/87/1123568087.db2.gz NSMNUDFZJKUPGP-UHFFFAOYSA-N 1 1 338.451 3.994 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC(CC[N@H+](CC#N)C2CCCC2)CC1 ZINC000179830263 1123869039 /nfs/dbraw/zinc/86/90/39/1123869039.db2.gz AGXUJXJUAUPWLG-UHFFFAOYSA-N 1 1 335.492 3.792 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC(CC[N@@H+](CC#N)C2CCCC2)CC1 ZINC000179830263 1123869045 /nfs/dbraw/zinc/86/90/45/1123869045.db2.gz AGXUJXJUAUPWLG-UHFFFAOYSA-N 1 1 335.492 3.792 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000246070870 1124012790 /nfs/dbraw/zinc/01/27/90/1124012790.db2.gz ZISCFZKXCFKSKC-OWCLPIDISA-N 1 1 345.512 3.855 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000246070870 1124012795 /nfs/dbraw/zinc/01/27/95/1124012795.db2.gz ZISCFZKXCFKSKC-OWCLPIDISA-N 1 1 345.512 3.855 20 30 EHEDMO C[C@H](Cc1ccsc1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000543057915 1129170878 /nfs/dbraw/zinc/17/08/78/1129170878.db2.gz NNEAXMOJPNHBTP-QGZVFWFLSA-N 1 1 339.508 3.759 20 30 EHEDMO Clc1cccc(C#CCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246553496 1124511791 /nfs/dbraw/zinc/51/17/91/1124511791.db2.gz KPFZKMGQBWKSLT-PXNSSMCTSA-N 1 1 328.887 3.640 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000247034729 1124580225 /nfs/dbraw/zinc/58/02/25/1124580225.db2.gz DYFJOPNEOSUXEA-OWCLPIDISA-N 1 1 345.512 3.855 20 30 EHEDMO C=C[C@@H](CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000618665658 1125149397 /nfs/dbraw/zinc/14/93/97/1125149397.db2.gz MOUJKOLLMRPJPI-HKUYNNGSSA-N 1 1 326.484 3.870 20 30 EHEDMO CCC[N@H+](Cc1ccnc(C#N)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000618778766 1125195897 /nfs/dbraw/zinc/19/58/97/1125195897.db2.gz YNYPPEXXCPNREA-INIZCTEOSA-N 1 1 336.439 3.501 20 30 EHEDMO CCC[N@@H+](Cc1ccnc(C#N)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000618778766 1125195900 /nfs/dbraw/zinc/19/59/00/1125195900.db2.gz YNYPPEXXCPNREA-INIZCTEOSA-N 1 1 336.439 3.501 20 30 EHEDMO FC(F)(F)Oc1ccc(C#CC[N@H+](Cc2ccncc2)C2CC2)cc1 ZINC000093221476 1125207987 /nfs/dbraw/zinc/20/79/87/1125207987.db2.gz QFNFLTOADLKDPB-UHFFFAOYSA-N 1 1 346.352 3.996 20 30 EHEDMO FC(F)(F)Oc1ccc(C#CC[N@@H+](Cc2ccncc2)C2CC2)cc1 ZINC000093221476 1125207991 /nfs/dbraw/zinc/20/79/91/1125207991.db2.gz QFNFLTOADLKDPB-UHFFFAOYSA-N 1 1 346.352 3.996 20 30 EHEDMO C#CCN(c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21)C1CC1 ZINC000763561283 1125331358 /nfs/dbraw/zinc/33/13/58/1125331358.db2.gz HBIQLSUGXBPIDP-UHFFFAOYSA-N 1 1 340.496 3.506 20 30 EHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)C1(CC)CC ZINC000763566958 1125339686 /nfs/dbraw/zinc/33/96/86/1125339686.db2.gz OIZAWUYIQYYCEB-GUDVDZBRSA-N 1 1 330.472 3.507 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@@H+](C)C[C@H](C)c2nccs2)c1O ZINC000182837911 1125378042 /nfs/dbraw/zinc/37/80/42/1125378042.db2.gz ACAITWVKWOFCJN-ZDUSSCGKSA-N 1 1 332.469 3.821 20 30 EHEDMO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)s1 ZINC000114732457 1129188002 /nfs/dbraw/zinc/18/80/02/1129188002.db2.gz KFWSIXCHDHZXJG-INIZCTEOSA-N 1 1 325.437 3.704 20 30 EHEDMO CC(N=Nc1ccc(F)cc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735609000 1131362906 /nfs/dbraw/zinc/36/29/06/1131362906.db2.gz KBPQIZNOXFTIBY-IBGZPJMESA-N 1 1 345.393 3.654 20 30 EHEDMO CC(N=Nc1ccc(F)cc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735609000 1131362910 /nfs/dbraw/zinc/36/29/10/1131362910.db2.gz KBPQIZNOXFTIBY-IBGZPJMESA-N 1 1 345.393 3.654 20 30 EHEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC(C)(C)C1 ZINC000543182370 1129317674 /nfs/dbraw/zinc/31/76/74/1129317674.db2.gz QMMSFEYLLOHYNV-CYBMUJFWSA-N 1 1 345.512 3.805 20 30 EHEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000067962028 1129326258 /nfs/dbraw/zinc/32/62/58/1129326258.db2.gz YAJXXKCBDLIMNM-AWEZNQCLSA-N 1 1 325.387 3.719 20 30 EHEDMO C=CC[C@@H](CC)NC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000543241853 1129365325 /nfs/dbraw/zinc/36/53/25/1129365325.db2.gz NEAZGHIPRQPHCJ-BWPNAZKDSA-N 1 1 343.515 3.797 20 30 EHEDMO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)C(=O)Nc1ccccc1C#N ZINC000069063662 1129419688 /nfs/dbraw/zinc/41/96/88/1129419688.db2.gz ISFLNNNIECAODE-CHWSQXEVSA-N 1 1 327.815 3.889 20 30 EHEDMO C[C@@H](c1ccco1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000069067392 1129420722 /nfs/dbraw/zinc/42/07/22/1129420722.db2.gz NOJMNVSYKUJILF-LBPRGKRZSA-N 1 1 331.803 3.826 20 30 EHEDMO CCC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000466475162 1129480745 /nfs/dbraw/zinc/48/07/45/1129480745.db2.gz RZGXERBLNQFEMT-UONOGXRCSA-N 1 1 345.512 3.948 20 30 EHEDMO CCC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000466475162 1129480748 /nfs/dbraw/zinc/48/07/48/1129480748.db2.gz RZGXERBLNQFEMT-UONOGXRCSA-N 1 1 345.512 3.948 20 30 EHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)OCc2cncc(C#N)c2)cc1 ZINC000922482800 1129551150 /nfs/dbraw/zinc/55/11/50/1129551150.db2.gz LLZZTAIWTMUELM-UHFFFAOYSA-N 1 1 337.423 3.542 20 30 EHEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](c4ccccc4)CC3)n2c1 ZINC000093003703 1129572258 /nfs/dbraw/zinc/57/22/58/1129572258.db2.gz APSUDHMPNRSUAI-IBGZPJMESA-N 1 1 330.435 3.976 20 30 EHEDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000093280313 1129582667 /nfs/dbraw/zinc/58/26/67/1129582667.db2.gz BLDUDWABNDDOIR-INIZCTEOSA-N 1 1 333.859 3.603 20 30 EHEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCOC4(CCC4)C3)c2)c1 ZINC000093640466 1129597762 /nfs/dbraw/zinc/59/77/62/1129597762.db2.gz APAHINNSOUHYPQ-UHFFFAOYSA-N 1 1 348.446 3.892 20 30 EHEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCOC4(CCC4)C3)c2)c1 ZINC000093640466 1129597764 /nfs/dbraw/zinc/59/77/64/1129597764.db2.gz APAHINNSOUHYPQ-UHFFFAOYSA-N 1 1 348.446 3.892 20 30 EHEDMO CC(C)C[N@H+](Cc1ccccc1C#N)C[C@H](O)c1ccc(F)cc1 ZINC000735872784 1131384672 /nfs/dbraw/zinc/38/46/72/1131384672.db2.gz VXJWWSPCTMCICD-FQEVSTJZSA-N 1 1 326.415 3.889 20 30 EHEDMO C=CCOc1ccc(-c2nnc(SCCn3cc[nH+]c3C)o2)cc1 ZINC000347742413 1129676369 /nfs/dbraw/zinc/67/63/69/1129676369.db2.gz ZCIRNYHSDUJQFJ-UHFFFAOYSA-N 1 1 342.424 3.599 20 30 EHEDMO N#Cc1ccc(COC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000735939561 1131392598 /nfs/dbraw/zinc/39/25/98/1131392598.db2.gz HIAFAWBTRGDGJU-FQEVSTJZSA-N 1 1 334.419 3.514 20 30 EHEDMO C=CCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]c1 ZINC001273089116 1129768187 /nfs/dbraw/zinc/76/81/87/1129768187.db2.gz HEJGPFCZTHGBBH-KDURUIRLSA-N 1 1 344.503 3.502 20 30 EHEDMO C=CCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]c1 ZINC001273089116 1129768189 /nfs/dbraw/zinc/76/81/89/1129768189.db2.gz HEJGPFCZTHGBBH-KDURUIRLSA-N 1 1 344.503 3.502 20 30 EHEDMO C[C@@H]([NH2+]CC1CCC(C#N)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000282419624 1129769904 /nfs/dbraw/zinc/76/99/04/1129769904.db2.gz SNYWGCDOGRVJFI-YXUAKONQSA-N 1 1 325.500 3.817 20 30 EHEDMO CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000030145047 1129913025 /nfs/dbraw/zinc/91/30/25/1129913025.db2.gz ZDGDRIIMFOBFIY-QWHCGFSZSA-N 1 1 331.485 3.557 20 30 EHEDMO CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000030145047 1129913027 /nfs/dbraw/zinc/91/30/27/1129913027.db2.gz ZDGDRIIMFOBFIY-QWHCGFSZSA-N 1 1 331.485 3.557 20 30 EHEDMO C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001168750151 1129935565 /nfs/dbraw/zinc/93/55/65/1129935565.db2.gz IQESUTPHGAAGCZ-NJINODPHSA-N 1 1 335.492 3.646 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCc3ccsc3C2)cc1Cl ZINC000132943617 1129968000 /nfs/dbraw/zinc/96/80/00/1129968000.db2.gz JFORDKXOLVLELQ-UHFFFAOYSA-N 1 1 345.855 3.660 20 30 EHEDMO N#Cc1c(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)cn2ccccc12 ZINC000059406534 1129986674 /nfs/dbraw/zinc/98/66/74/1129986674.db2.gz SEAQJAJPZRZDPJ-HXUWFJFHSA-N 1 1 345.446 3.992 20 30 EHEDMO N#Cc1c(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)cn2ccccc12 ZINC000059406534 1129986675 /nfs/dbraw/zinc/98/66/75/1129986675.db2.gz SEAQJAJPZRZDPJ-HXUWFJFHSA-N 1 1 345.446 3.992 20 30 EHEDMO C=CC[C@@H]1CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)C1 ZINC000625705562 1129987111 /nfs/dbraw/zinc/98/71/11/1129987111.db2.gz VYBNCENWXVLCQJ-LLVKDONJSA-N 1 1 337.345 3.752 20 30 EHEDMO C=CC[C@@H]1CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)C1 ZINC000625705562 1129987113 /nfs/dbraw/zinc/98/71/13/1129987113.db2.gz VYBNCENWXVLCQJ-LLVKDONJSA-N 1 1 337.345 3.752 20 30 EHEDMO COC(=O)c1cc2cc(C[N@@H+](C)Cc3ccc(C#N)cc3)ccc2o1 ZINC000172748656 1130157899 /nfs/dbraw/zinc/15/78/99/1130157899.db2.gz ZPUDDGXRPPMQHD-UHFFFAOYSA-N 1 1 334.375 3.723 20 30 EHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@]4(CC=CCC4)C3)o2)cc1 ZINC000173751343 1130300397 /nfs/dbraw/zinc/30/03/97/1130300397.db2.gz MBMXDBKMAUGDDC-HXUWFJFHSA-N 1 1 334.423 3.931 20 30 EHEDMO N#Cc1ccccc1-c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000245952716 1130334251 /nfs/dbraw/zinc/33/42/51/1130334251.db2.gz CFTLICHITJUPQT-RTWAWAEBSA-N 1 1 331.463 3.942 20 30 EHEDMO N#Cc1ccccc1-c1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000245952716 1130334260 /nfs/dbraw/zinc/33/42/60/1130334260.db2.gz CFTLICHITJUPQT-RTWAWAEBSA-N 1 1 331.463 3.942 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245952260 1130334321 /nfs/dbraw/zinc/33/43/21/1130334321.db2.gz PLXACOIYQAIVHQ-FXAWDEMLSA-N 1 1 347.462 3.650 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000246363651 1130375253 /nfs/dbraw/zinc/37/52/53/1130375253.db2.gz LMTPHBCAOMGHHK-VQIMIIECSA-N 1 1 333.435 3.970 20 30 EHEDMO Cc1oc(NC(=O)C[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c(C#N)c1C ZINC000246811322 1130414288 /nfs/dbraw/zinc/41/42/88/1130414288.db2.gz 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/nfs/dbraw/zinc/73/11/02/1133731102.db2.gz QCSRTRSTHIISGM-HXUWFJFHSA-N 1 1 332.403 3.582 20 30 EHEDMO C=C(C)C[N@H+](C)Cc1cn(-c2cccc(Br)c2)nc1C ZINC001182977463 1133757731 /nfs/dbraw/zinc/75/77/31/1133757731.db2.gz DOXDVHPOPPBRRP-UHFFFAOYSA-N 1 1 334.261 3.951 20 30 EHEDMO C[N@H+](CCc1cccc(C#N)c1)Cc1cccc(O)c1Br ZINC001183429073 1133805032 /nfs/dbraw/zinc/80/50/32/1133805032.db2.gz NOPKSBXUKJLBSM-UHFFFAOYSA-N 1 1 345.240 3.701 20 30 EHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cccc(O)c1Br ZINC001183429073 1133805042 /nfs/dbraw/zinc/80/50/42/1133805042.db2.gz NOPKSBXUKJLBSM-UHFFFAOYSA-N 1 1 345.240 3.701 20 30 EHEDMO N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H](CCc1ccccc1)C(F)F)C2 ZINC001183454865 1133809791 /nfs/dbraw/zinc/80/97/91/1133809791.db2.gz PBSCIFWELXNVQD-RTBURBONSA-N 1 1 326.390 3.882 20 30 EHEDMO C[C@@H](OC(=O)CC[N@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000786815677 1133910387 /nfs/dbraw/zinc/91/03/87/1133910387.db2.gz HHIYVGFZCLDBQG-MRXNPFEDSA-N 1 1 334.419 3.611 20 30 EHEDMO Cc1nc(C#N)cc(NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)n1 ZINC001184840207 1133996042 /nfs/dbraw/zinc/99/60/42/1133996042.db2.gz XKNQVGFVWCLMPS-HNNXBMFYSA-N 1 1 335.455 3.501 20 30 EHEDMO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H](C)CCCC(C)C ZINC001170077344 1134037397 /nfs/dbraw/zinc/03/73/97/1134037397.db2.gz JNGDXUSKARZXQO-FUHWJXTLSA-N 1 1 334.508 3.615 20 30 EHEDMO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@@H](C)CCCC(C)C ZINC001170077344 1134037402 /nfs/dbraw/zinc/03/74/02/1134037402.db2.gz JNGDXUSKARZXQO-FUHWJXTLSA-N 1 1 334.508 3.615 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC000787994382 1134062774 /nfs/dbraw/zinc/06/27/74/1134062774.db2.gz HHDNFYCIHLCQPN-FQEVSTJZSA-N 1 1 341.455 3.534 20 30 EHEDMO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)ccc1C#N ZINC000774911037 1134118729 /nfs/dbraw/zinc/11/87/29/1134118729.db2.gz FPFCGWLCDULCET-MAUKXSAKSA-N 1 1 343.471 3.744 20 30 EHEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1nc(Br)ccc1F ZINC000788520428 1134137042 /nfs/dbraw/zinc/13/70/42/1134137042.db2.gz QYBZDXVPHPJBIX-JTQLQIEISA-N 1 1 334.192 3.706 20 30 EHEDMO C=CCCCNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC001186320579 1134195178 /nfs/dbraw/zinc/19/51/78/1134195178.db2.gz RSXUGRSLVCPBBX-NRFANRHFSA-N 1 1 334.463 3.696 20 30 EHEDMO C=CCCCNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1 ZINC001186320579 1134195182 /nfs/dbraw/zinc/19/51/82/1134195182.db2.gz RSXUGRSLVCPBBX-NRFANRHFSA-N 1 1 334.463 3.696 20 30 EHEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000789449628 1134276309 /nfs/dbraw/zinc/27/63/09/1134276309.db2.gz ICPHANIUJUQQQB-JYYAWHABSA-N 1 1 348.450 3.590 20 30 EHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000791606132 1134582590 /nfs/dbraw/zinc/58/25/90/1134582590.db2.gz QXZCHHBMJBNYGM-PZJWPPBQSA-N 1 1 348.446 3.879 20 30 EHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000791606132 1134582594 /nfs/dbraw/zinc/58/25/94/1134582594.db2.gz QXZCHHBMJBNYGM-PZJWPPBQSA-N 1 1 348.446 3.879 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000792235579 1134669710 /nfs/dbraw/zinc/66/97/10/1134669710.db2.gz CMXZEUUNQCCLEO-UHFFFAOYSA-N 1 1 349.450 3.680 20 30 EHEDMO CC(C)(C)OC(=O)NC1(C)CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000792297177 1134676929 /nfs/dbraw/zinc/67/69/29/1134676929.db2.gz KMWQUXNSCHJSFL-UHFFFAOYSA-N 1 1 347.434 3.577 20 30 EHEDMO C#CC[C@@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1ccccc1 ZINC000775398325 1134725183 /nfs/dbraw/zinc/72/51/83/1134725183.db2.gz GKLLAZBVHACEBY-OAHLLOKOSA-N 1 1 349.459 3.740 20 30 EHEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@H](C)Cc2ccccc2Cl)C1 ZINC001170294754 1134736102 /nfs/dbraw/zinc/73/61/02/1134736102.db2.gz RFFLCZLWXDOZMS-ZBFHGGJFSA-N 1 1 336.863 3.648 20 30 EHEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@@H](C)Cc3ccccc3Cl)C2)C1=O ZINC001170278661 1134740368 /nfs/dbraw/zinc/74/03/68/1134740368.db2.gz WUTWELXMZXNMPZ-JXFKEZNVSA-N 1 1 346.902 3.772 20 30 EHEDMO CCCCCCCNC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001191101620 1134793013 /nfs/dbraw/zinc/79/30/13/1134793013.db2.gz QAAVZKBHYOUNRB-PMACEKPBSA-N 1 1 343.515 3.873 20 30 EHEDMO CCCCCCCNC(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001191104692 1134794281 /nfs/dbraw/zinc/79/42/81/1134794281.db2.gz NTBFSKYTJWJZQK-UHFFFAOYSA-N 1 1 346.519 3.526 20 30 EHEDMO CCCCCCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2OC)C1 ZINC001191123118 1134797725 /nfs/dbraw/zinc/79/77/25/1134797725.db2.gz JABSDPBJNGTZCY-SFHVURJKSA-N 1 1 347.503 3.539 20 30 EHEDMO CCCCCCCNC(=O)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001191096397 1134802089 /nfs/dbraw/zinc/80/20/89/1134802089.db2.gz XSULFTLZTOKDPY-LJQANCHMSA-N 1 1 329.488 3.581 20 30 EHEDMO CCCCCCCNC(=O)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001191096397 1134802094 /nfs/dbraw/zinc/80/20/94/1134802094.db2.gz XSULFTLZTOKDPY-LJQANCHMSA-N 1 1 329.488 3.581 20 30 EHEDMO C[C@@]12CC[N@@H+](CCCC3(C#N)CCOCC3)C[C@@H]1C2(Cl)Cl ZINC000792906978 1134819248 /nfs/dbraw/zinc/81/92/48/1134819248.db2.gz OXJUWZQDIAKEIR-UONOGXRCSA-N 1 1 331.287 3.603 20 30 EHEDMO C#CC[N@H+](CC#CC)CCSc1ccnc2cc(Cl)ccc21 ZINC001191245259 1134835480 /nfs/dbraw/zinc/83/54/80/1134835480.db2.gz RLDFXFBTVRSYTH-UHFFFAOYSA-N 1 1 328.868 3.939 20 30 EHEDMO C#CC[N@@H+](CC#CC)CCSc1ccnc2cc(Cl)ccc21 ZINC001191245259 1134835486 /nfs/dbraw/zinc/83/54/86/1134835486.db2.gz RLDFXFBTVRSYTH-UHFFFAOYSA-N 1 1 328.868 3.939 20 30 EHEDMO C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC001191443676 1134868232 /nfs/dbraw/zinc/86/82/32/1134868232.db2.gz FIKBDJOYWBLAOT-UXHICEINSA-N 1 1 326.484 3.776 20 30 EHEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)ccc2OC)C1(CC)CC ZINC001191820725 1134929323 /nfs/dbraw/zinc/92/93/23/1134929323.db2.gz HCTGPWOHNGSBAI-RBUKOAKNSA-N 1 1 330.472 3.982 20 30 EHEDMO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc2ccccc2s1 ZINC000793584836 1134963134 /nfs/dbraw/zinc/96/31/34/1134963134.db2.gz SZMNHGDOARKFPT-LBPRGKRZSA-N 1 1 333.420 3.666 20 30 EHEDMO C#CC[N@@H+](CC1CC1)CC1(COc2cccc(COC)c2)CCC1 ZINC001192302855 1135002318 /nfs/dbraw/zinc/00/23/18/1135002318.db2.gz NAILMMXNTBQPIS-UHFFFAOYSA-N 1 1 327.468 3.727 20 30 EHEDMO C[NH+](C)Cc1ccc(NC(=O)/C=C/c2ccccc2C#N)cc1Cl ZINC000794219429 1135029034 /nfs/dbraw/zinc/02/90/34/1135029034.db2.gz DDSDRJUJPGZBKT-CSKARUKUSA-N 1 1 339.826 3.925 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2nc(Cl)c(C#N)s2)C1 ZINC000804371494 1135049374 /nfs/dbraw/zinc/04/93/74/1135049374.db2.gz ACXSDXAHXOZLPB-DGCLKSJQSA-N 1 1 332.860 3.916 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2nc(Cl)c(C#N)s2)C1 ZINC000804371496 1135049795 /nfs/dbraw/zinc/04/97/95/1135049795.db2.gz ACXSDXAHXOZLPB-YPMHNXCESA-N 1 1 332.860 3.916 20 30 EHEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC001193914285 1135204254 /nfs/dbraw/zinc/20/42/54/1135204254.db2.gz SBOBHFLAVUZFNK-GOSISDBHSA-N 1 1 336.410 3.625 20 30 EHEDMO Cc1cc(C)cc(C[N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC001194083069 1135227321 /nfs/dbraw/zinc/22/73/21/1135227321.db2.gz OQLUESPZOUYINF-NRFANRHFSA-N 1 1 347.462 3.803 20 30 EHEDMO C[N@@H+](Cc1ccccc1NC(=O)c1cncc(C#N)c1)C1CCCCC1 ZINC001194114118 1135228474 /nfs/dbraw/zinc/22/84/74/1135228474.db2.gz VHYALXOJEYONAZ-UHFFFAOYSA-N 1 1 348.450 3.970 20 30 EHEDMO Cc1ccc(C[N@@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@H]2C)cc1C#N ZINC001195287641 1135407216 /nfs/dbraw/zinc/40/72/16/1135407216.db2.gz CTDRDRLXTOCFPV-NVXWUHKLSA-N 1 1 328.456 3.809 20 30 EHEDMO CC(C)(C)OC(=O)C[N@H+](CCCOc1ccc(C#N)cc1)C1CCC1 ZINC001195638588 1135445431 /nfs/dbraw/zinc/44/54/31/1135445431.db2.gz KAYAAQPUPRQXSB-UHFFFAOYSA-N 1 1 344.455 3.523 20 30 EHEDMO CC(C)(C)OC(=O)C[N@@H+](CCCOc1ccc(C#N)cc1)C1CCC1 ZINC001195638588 1135445433 /nfs/dbraw/zinc/44/54/33/1135445433.db2.gz KAYAAQPUPRQXSB-UHFFFAOYSA-N 1 1 344.455 3.523 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC001195809012 1135473652 /nfs/dbraw/zinc/47/36/52/1135473652.db2.gz FQSVCDYFUMTAIY-INIZCTEOSA-N 1 1 336.435 3.607 20 30 EHEDMO COc1ccc([C@H]([NH2+]Cc2cc(C#N)ccn2)c2ccccc2)cc1 ZINC001196020415 1135506992 /nfs/dbraw/zinc/50/69/92/1135506992.db2.gz BTYILANEGKNQBL-OAQYLSRUSA-N 1 1 329.403 3.841 20 30 EHEDMO C=CC[N@H+](CC(=O)Nc1ccc(Br)c(C)c1)C(C)(C)C ZINC001196199167 1135530775 /nfs/dbraw/zinc/53/07/75/1135530775.db2.gz YAPHLXTZAHGDLJ-UHFFFAOYSA-N 1 1 339.277 3.983 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCCC[C@@H](C)C2)cc1 ZINC000775733123 1135591766 /nfs/dbraw/zinc/59/17/66/1135591766.db2.gz YQYBALHUPYABCH-QZTJIDSGSA-N 1 1 327.472 3.752 20 30 EHEDMO C[N@H+](CC#Cc1cccc(Cl)c1)CCCNC(=O)OC(C)(C)C ZINC000747438301 1135593606 /nfs/dbraw/zinc/59/36/06/1135593606.db2.gz RFNWXDHAAFCZBW-UHFFFAOYSA-N 1 1 336.863 3.538 20 30 EHEDMO C[C@H]1CCC[N@H+]1CCNC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001196706707 1135598845 /nfs/dbraw/zinc/59/88/45/1135598845.db2.gz RECWZLQVXRHYOD-SFHVURJKSA-N 1 1 347.462 3.692 20 30 EHEDMO C[N@H+](CC#Cc1cccc(Cl)c1)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001198156816 1135780683 /nfs/dbraw/zinc/78/06/83/1135780683.db2.gz KPXPMUARLRAXMI-KRWDZBQOSA-N 1 1 348.874 3.633 20 30 EHEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001198156816 1135780686 /nfs/dbraw/zinc/78/06/86/1135780686.db2.gz KPXPMUARLRAXMI-KRWDZBQOSA-N 1 1 348.874 3.633 20 30 EHEDMO CCCCCCC[N@H+]1CCCN(C(=O)c2c(C)cc(=O)[nH]c2C)CC1 ZINC001198190444 1135787103 /nfs/dbraw/zinc/78/71/03/1135787103.db2.gz GFOOLPTYJLNTTM-UHFFFAOYSA-N 1 1 347.503 3.522 20 30 EHEDMO C=CCC[C@@H]1CCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC001198414520 1135811707 /nfs/dbraw/zinc/81/17/07/1135811707.db2.gz VDPOKDCFAQTXDC-SJORKVTESA-N 1 1 346.434 3.654 20 30 EHEDMO C#CCOc1cccc(-c2noc([C@H](c3ccccc3)[N@@H+](C)CC)n2)c1 ZINC000809342677 1135820965 /nfs/dbraw/zinc/82/09/65/1135820965.db2.gz OXEMSZPLPUWQQP-IBGZPJMESA-N 1 1 347.418 3.790 20 30 EHEDMO C#CCOc1cccc(-c2noc([C@H](c3ccccc3)[N@H+](C)CC)n2)c1 ZINC000809342677 1135820970 /nfs/dbraw/zinc/82/09/70/1135820970.db2.gz OXEMSZPLPUWQQP-IBGZPJMESA-N 1 1 347.418 3.790 20 30 EHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@H](N2CCCC2)C[C@@H]1C(C)C ZINC001198622737 1135843620 /nfs/dbraw/zinc/84/36/20/1135843620.db2.gz NLFVAWPTSULYOQ-TZIWHRDSSA-N 1 1 325.500 3.870 20 30 EHEDMO Cc1cc(C#N)cc(C)c1CN1C[C@H]([NH+]2CCCC2)C[C@@H]1C(C)C ZINC001198622737 1135843624 /nfs/dbraw/zinc/84/36/24/1135843624.db2.gz NLFVAWPTSULYOQ-TZIWHRDSSA-N 1 1 325.500 3.870 20 30 EHEDMO C#Cc1ccc(C[NH2+][C@H]2COc3cc(F)c(Br)cc32)cc1 ZINC000809662058 1135869617 /nfs/dbraw/zinc/86/96/17/1135869617.db2.gz ZAUHKWIAPDECFN-INIZCTEOSA-N 1 1 346.199 3.793 20 30 EHEDMO C#C[C@H](C)[NH2+]Cc1c(C)nn(-c2cccc(C(F)(F)F)c2)c1Cl ZINC000809683393 1135871178 /nfs/dbraw/zinc/87/11/78/1135871178.db2.gz BSOSMTYUTGZSQD-JTQLQIEISA-N 1 1 341.764 3.964 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000809750527 1135885286 /nfs/dbraw/zinc/88/52/86/1135885286.db2.gz ZFXWZUZSXRIQPL-WBVHZDCISA-N 1 1 344.455 3.531 20 30 EHEDMO C#CCOc1cccc([C@H](C)OC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)c1 ZINC000810576147 1135977460 /nfs/dbraw/zinc/97/74/60/1135977460.db2.gz LTNSLOIZRVRUCO-MGPUTAFESA-N 1 1 347.430 3.515 20 30 EHEDMO C[N@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000747618646 1135984547 /nfs/dbraw/zinc/98/45/47/1135984547.db2.gz ARGHIJBTAKIXPY-QGZVFWFLSA-N 1 1 348.874 3.633 20 30 EHEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000747618646 1135984549 /nfs/dbraw/zinc/98/45/49/1135984549.db2.gz ARGHIJBTAKIXPY-QGZVFWFLSA-N 1 1 348.874 3.633 20 30 EHEDMO C=CCOc1ccc(COC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC000810676937 1135992959 /nfs/dbraw/zinc/99/29/59/1135992959.db2.gz ZSAARROLIMCHGO-IBGZPJMESA-N 1 1 335.419 3.507 20 30 EHEDMO N#Cc1ncc(F)cc1N=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201474236 1136032211 /nfs/dbraw/zinc/03/22/11/1136032211.db2.gz AQCWAWNLUVFKBB-MSOLQXFVSA-N 1 1 334.398 3.825 20 30 EHEDMO N#Cc1ncc(F)cc1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201474236 1136032215 /nfs/dbraw/zinc/03/22/15/1136032215.db2.gz AQCWAWNLUVFKBB-MSOLQXFVSA-N 1 1 334.398 3.825 20 30 EHEDMO N#Cc1ncc(F)cc1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201474236 1136032218 /nfs/dbraw/zinc/03/22/18/1136032218.db2.gz AQCWAWNLUVFKBB-MSOLQXFVSA-N 1 1 334.398 3.825 20 30 EHEDMO CCCCCCC[N@@H+]1Cc2nnn(CC3CC3)c2[C@H](COCC)C1 ZINC001201762393 1136060739 /nfs/dbraw/zinc/06/07/39/1136060739.db2.gz IYYOTKPHKQBIDZ-KRWDZBQOSA-N 1 1 334.508 3.594 20 30 EHEDMO CCCCCCCCN1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001201813571 1136065123 /nfs/dbraw/zinc/06/51/23/1136065123.db2.gz GMDSATZVOHTMBR-NHCUHLMSSA-N 1 1 345.531 3.717 20 30 EHEDMO CCCCCCCC[N@@H+]1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001201813571 1136065126 /nfs/dbraw/zinc/06/51/26/1136065126.db2.gz GMDSATZVOHTMBR-NHCUHLMSSA-N 1 1 345.531 3.717 20 30 EHEDMO CCCCCCCC[N@H+]1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001201813571 1136065129 /nfs/dbraw/zinc/06/51/29/1136065129.db2.gz GMDSATZVOHTMBR-NHCUHLMSSA-N 1 1 345.531 3.717 20 30 EHEDMO CCCCCCC[N@H+]1CCC[C@@]2(C[C@H](N(C)c3ncccn3)CO2)C1 ZINC001201776773 1136065894 /nfs/dbraw/zinc/06/58/94/1136065894.db2.gz KUWARUFXMUHUNV-AZUAARDMSA-N 1 1 346.519 3.507 20 30 EHEDMO N#Cc1csc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)n1 ZINC000811466971 1136090922 /nfs/dbraw/zinc/09/09/22/1136090922.db2.gz BUZMCEBKCDOIGB-QZTJIDSGSA-N 1 1 341.480 3.883 20 30 EHEDMO N#Cc1csc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)n1 ZINC000811466971 1136090926 /nfs/dbraw/zinc/09/09/26/1136090926.db2.gz BUZMCEBKCDOIGB-QZTJIDSGSA-N 1 1 341.480 3.883 20 30 EHEDMO C[C@H]1C(N=Nc2cnnc3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000811643925 1136116003 /nfs/dbraw/zinc/11/60/03/1136116003.db2.gz OWHGHJBGCWUXPU-HNNXBMFYSA-N 1 1 331.423 3.692 20 30 EHEDMO C[C@H]1C(N=Nc2ccc(C(F)(F)F)nn2)CC[N@H+]1Cc1ccccc1 ZINC000811645962 1136116375 /nfs/dbraw/zinc/11/63/75/1136116375.db2.gz GLBMLAPVTJBBOP-LBPRGKRZSA-N 1 1 349.360 3.558 20 30 EHEDMO C=CCCCCCCNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000811918302 1136154724 /nfs/dbraw/zinc/15/47/24/1136154724.db2.gz QAZNCLWUJSJDLQ-UHFFFAOYSA-N 1 1 344.503 3.926 20 30 EHEDMO CCCCCC[N@@H+](C)CC(=O)Nc1nc(C)c(SCC#N)s1 ZINC000109951941 1136371613 /nfs/dbraw/zinc/37/16/13/1136371613.db2.gz DPAYHACGNPMEBV-UHFFFAOYSA-N 1 1 340.518 3.518 20 30 EHEDMO C[C@H](C1CC1)[N@@H+](CC(=O)Nc1ccccc1SCC#N)C1CC1 ZINC000173200652 1136371883 /nfs/dbraw/zinc/37/18/83/1136371883.db2.gz JBDJYGGYSAUWIK-CYBMUJFWSA-N 1 1 329.469 3.504 20 30 EHEDMO C[C@@H](CN=Cc1cc2ccccc2[nH]c1=O)[N@@H+](C)Cc1ccccc1 ZINC000110129376 1136399271 /nfs/dbraw/zinc/39/92/71/1136399271.db2.gz GFINQGPQMLLSGM-SITPEIFSSA-N 1 1 333.435 3.880 20 30 EHEDMO N#Cc1cccc(NC(=O)C2CC[NH+](CC=C(Cl)Cl)CC2)c1 ZINC000851834995 1136412018 /nfs/dbraw/zinc/41/20/18/1136412018.db2.gz ZQORUEISSJVNDI-UHFFFAOYSA-N 1 1 338.238 3.528 20 30 EHEDMO COCc1ccccc1/C=C(/C)C=[NH+]n1cc(Br)cn1 ZINC000814224072 1136424940 /nfs/dbraw/zinc/42/49/40/1136424940.db2.gz ARPISKGUWWWJAP-VTRITOJHSA-N 1 1 334.217 3.729 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)COc1ccccc1Cl ZINC000216901374 1136432430 /nfs/dbraw/zinc/43/24/30/1136432430.db2.gz CKMKLUPOMBEHEQ-AWEZNQCLSA-N 1 1 337.872 3.829 20 30 EHEDMO C#C[C@@](C)(CC)[NH2+]Cc1csc(-c2ccc(OC)cc2OC)n1 ZINC000852100153 1136433017 /nfs/dbraw/zinc/43/30/17/1136433017.db2.gz UKKUPAXMYPXNDG-SFHVURJKSA-N 1 1 330.453 3.719 20 30 EHEDMO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)CC1 ZINC001170738525 1136437926 /nfs/dbraw/zinc/43/79/26/1136437926.db2.gz IXFJKUVDNIHBLF-BCDXTJNWSA-N 1 1 346.515 3.922 20 30 EHEDMO C=CCC(C)(C)CNC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000814390619 1136446331 /nfs/dbraw/zinc/44/63/31/1136446331.db2.gz ZVLAKHBKWHFKOX-OAQYLSRUSA-N 1 1 343.515 3.800 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852527831 1136462688 /nfs/dbraw/zinc/46/26/88/1136462688.db2.gz QVBZVDLZOKSTSN-PCVOSPCESA-N 1 1 341.455 3.608 20 30 EHEDMO C#CCC[N@@H+](CCOC)CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000852751447 1136483563 /nfs/dbraw/zinc/48/35/63/1136483563.db2.gz CUPFAWKOSCTCLQ-UHFFFAOYSA-N 1 1 344.499 3.844 20 30 EHEDMO C#CCC[N@H+](CCOC)CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000852751447 1136483568 /nfs/dbraw/zinc/48/35/68/1136483568.db2.gz CUPFAWKOSCTCLQ-UHFFFAOYSA-N 1 1 344.499 3.844 20 30 EHEDMO C=CCOCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC000815062450 1136545592 /nfs/dbraw/zinc/54/55/92/1136545592.db2.gz URVBACYPNCOHJF-OAQYLSRUSA-N 1 1 325.452 3.733 20 30 EHEDMO C=CCOc1ccc(C[NH2+]Cc2c(F)cc(F)cc2F)cc1OC ZINC000815151837 1136557609 /nfs/dbraw/zinc/55/76/09/1136557609.db2.gz CTHZZQSIPPICHP-UHFFFAOYSA-N 1 1 337.341 3.967 20 30 EHEDMO N#Cc1ncc(C(F)(F)F)cc1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853996753 1136579277 /nfs/dbraw/zinc/57/92/77/1136579277.db2.gz KLFIGJXBRHRBRZ-CYBMUJFWSA-N 1 1 338.377 3.506 20 30 EHEDMO C#CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000830329754 1136672205 /nfs/dbraw/zinc/67/22/05/1136672205.db2.gz FJUQZTXOMPNVIX-UHFFFAOYSA-N 1 1 344.764 3.643 20 30 EHEDMO C=C(C)[C@H](CC(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)OCC ZINC000816454261 1136716988 /nfs/dbraw/zinc/71/69/88/1136716988.db2.gz BDMNZZRBDQIBIL-IHPCNDPISA-N 1 1 345.483 3.812 20 30 EHEDMO C=C(C)[C@H](CC(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)OCC ZINC000816454260 1136717188 /nfs/dbraw/zinc/71/71/88/1136717188.db2.gz BDMNZZRBDQIBIL-HOJAQTOUSA-N 1 1 345.483 3.812 20 30 EHEDMO C=CCOCCCC(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000816471369 1136719119 /nfs/dbraw/zinc/71/91/19/1136719119.db2.gz CMMRXMHKMQMFEI-IEBWSBKVSA-N 1 1 331.456 3.566 20 30 EHEDMO C=CCC[C@H](C)[NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000544576513 1136756967 /nfs/dbraw/zinc/75/69/67/1136756967.db2.gz NJYJMAFQRXUVMA-NSHDSACASA-N 1 1 335.249 3.679 20 30 EHEDMO CCCCCCCCCCC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000856255719 1136769494 /nfs/dbraw/zinc/76/94/94/1136769494.db2.gz QDTXSZJXKGIGRW-LJQANCHMSA-N 1 1 338.536 3.575 20 30 EHEDMO C[C@@H](C#N)CNN=C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000857212160 1136854004 /nfs/dbraw/zinc/85/40/04/1136854004.db2.gz UZBYIHFVSLGMGQ-PXNSSMCTSA-N 1 1 326.488 3.660 20 30 EHEDMO C[C@H](C#N)CNN=C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000857212161 1136854153 /nfs/dbraw/zinc/85/41/53/1136854153.db2.gz UZBYIHFVSLGMGQ-XLIONFOSSA-N 1 1 326.488 3.660 20 30 EHEDMO CNc1ccc(C#N)cc1NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857254296 1136857374 /nfs/dbraw/zinc/85/73/74/1136857374.db2.gz YWZZZBQWWQNLHG-GOSISDBHSA-N 1 1 348.450 3.661 20 30 EHEDMO C=CC[C@H]1CCCN(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857308533 1136862053 /nfs/dbraw/zinc/86/20/53/1136862053.db2.gz AXKVFSHWSMYWQL-PXNSSMCTSA-N 1 1 326.484 3.924 20 30 EHEDMO CCCCCCC[N@H+]1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001170914757 1136890661 /nfs/dbraw/zinc/89/06/61/1136890661.db2.gz IBGWLDDKWYZGRF-MRXNPFEDSA-N 1 1 328.497 3.572 20 30 EHEDMO C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819024380 1136904474 /nfs/dbraw/zinc/90/44/74/1136904474.db2.gz PDOQMUMEQRZNGI-KRWDZBQOSA-N 1 1 343.298 3.657 20 30 EHEDMO C=C(C)C[NH+]1CCC(NC[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819024380 1136904477 /nfs/dbraw/zinc/90/44/77/1136904477.db2.gz PDOQMUMEQRZNGI-KRWDZBQOSA-N 1 1 343.298 3.657 20 30 EHEDMO Cc1cc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)ccc1C#N ZINC000858016796 1136932329 /nfs/dbraw/zinc/93/23/29/1136932329.db2.gz IKNGMYLMTRFVSB-FQEVSTJZSA-N 1 1 333.435 3.792 20 30 EHEDMO C=C[C@@H]1C[C@]1(Nc1ccc([NH+]2CCCCC2)cc1C)C(=O)OCC ZINC001170926967 1136941983 /nfs/dbraw/zinc/94/19/83/1136941983.db2.gz GCXCGFKVGUSLNK-OXQOHEQNSA-N 1 1 328.456 3.905 20 30 EHEDMO Cn1cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c(Br)n1 ZINC000858168919 1136946267 /nfs/dbraw/zinc/94/62/67/1136946267.db2.gz HWUHJTALIACQCT-HNNXBMFYSA-N 1 1 347.260 3.707 20 30 EHEDMO C=C[C@H](C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC001136515837 1137044570 /nfs/dbraw/zinc/04/45/70/1137044570.db2.gz AQTZQVAWCSLJSA-UWJYYQICSA-N 1 1 334.463 3.519 20 30 EHEDMO COC(=O)c1ccc(C(=[NH2+])Nc2c(C)c(F)ccc2SC)cc1 ZINC001170989016 1137063009 /nfs/dbraw/zinc/06/30/09/1137063009.db2.gz IASKJWWNUOLYAN-UHFFFAOYSA-N 1 1 332.400 3.680 20 30 EHEDMO CCC(C#N)(CC)C(=O)OC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000860552623 1137065971 /nfs/dbraw/zinc/06/59/71/1137065971.db2.gz RZPQXAFDUXHRBM-AEFFLSMTSA-N 1 1 344.455 3.561 20 30 EHEDMO N#CCCC[C@@H]([NH3+])c1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC000823179835 1137088758 /nfs/dbraw/zinc/08/87/58/1137088758.db2.gz YFLMDTXUDNWOMW-VXGBXAGGSA-N 1 1 342.296 3.841 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccnc(Br)c1 ZINC000823617742 1137106653 /nfs/dbraw/zinc/10/66/53/1137106653.db2.gz MAPKGYGNWAQALW-LBPRGKRZSA-N 1 1 330.229 3.909 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000824690584 1137148365 /nfs/dbraw/zinc/14/83/65/1137148365.db2.gz HIGQTZDDXRJAAZ-IFXJQAMLSA-N 1 1 344.842 3.796 20 30 EHEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccccc1CCC(=C)C ZINC001171069175 1137153181 /nfs/dbraw/zinc/15/31/81/1137153181.db2.gz ANSIJJSZIMHDOX-SFHVURJKSA-N 1 1 330.472 3.834 20 30 EHEDMO CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c(C)c1 ZINC000824951018 1137159055 /nfs/dbraw/zinc/15/90/55/1137159055.db2.gz ZUUXYGAYNMPQLD-OAQYLSRUSA-N 1 1 336.435 3.839 20 30 EHEDMO CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c(C)c1 ZINC000824951018 1137159056 /nfs/dbraw/zinc/15/90/56/1137159056.db2.gz ZUUXYGAYNMPQLD-OAQYLSRUSA-N 1 1 336.435 3.839 20 30 EHEDMO Cc1ccccc1[C@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)CC[NH2+]1 ZINC000825163360 1137168720 /nfs/dbraw/zinc/16/87/20/1137168720.db2.gz WYSLCFCBHDCXCN-TZIWHRDSSA-N 1 1 347.462 3.556 20 30 EHEDMO CC(C)O[C@@H](C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000844372150 1137213309 /nfs/dbraw/zinc/21/33/09/1137213309.db2.gz VNYDACBMYSWJBE-RTWAWAEBSA-N 1 1 338.451 3.690 20 30 EHEDMO C[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844403656 1137217523 /nfs/dbraw/zinc/21/75/23/1137217523.db2.gz XIMIVNYHYDQWCD-CVEARBPZSA-N 1 1 337.508 3.942 20 30 EHEDMO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844471358 1137227166 /nfs/dbraw/zinc/22/71/66/1137227166.db2.gz QGHQRMUISSJXFH-DDYRAIOVSA-N 1 1 346.421 3.598 20 30 EHEDMO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844471358 1137227168 /nfs/dbraw/zinc/22/71/68/1137227168.db2.gz QGHQRMUISSJXFH-DDYRAIOVSA-N 1 1 346.421 3.598 20 30 EHEDMO C=CC[C@H](C)C(=O)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001144017957 1137229304 /nfs/dbraw/zinc/22/93/04/1137229304.db2.gz NYTZSGMUEVLNCW-OXJNMPFZSA-N 1 1 330.447 3.605 20 30 EHEDMO C=CC[N@H+](Cc1ccc(OC(C)=O)c(OC(C)=O)c1)C1CCCCC1 ZINC001144291645 1137269432 /nfs/dbraw/zinc/26/94/32/1137269432.db2.gz ZBYRUSYLFUAMQQ-UHFFFAOYSA-N 1 1 345.439 3.858 20 30 EHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+]([C@@H]3CCc4cc(Cl)ccc43)C2)nc1 ZINC000794834278 1137271156 /nfs/dbraw/zinc/27/11/56/1137271156.db2.gz UOVUYRBRNXDXEW-SJLPKXTDSA-N 1 1 339.826 3.747 20 30 EHEDMO C=C(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001144407617 1137284874 /nfs/dbraw/zinc/28/48/74/1137284874.db2.gz BFXKYCIEFRLAQL-JOCHJYFZSA-N 1 1 348.490 3.814 20 30 EHEDMO Cc1ccnc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)c1Br ZINC000865546488 1137293768 /nfs/dbraw/zinc/29/37/68/1137293768.db2.gz VSYUGJVSWSSCBU-HNNXBMFYSA-N 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C[C@@H]([NH2+][C@H](CN(C)C)c1ccc(Cl)cc1)c1cccc(C#N)c1O ZINC000866352597 1137348456 /nfs/dbraw/zinc/34/84/56/1137348456.db2.gz ARLRIYWTQRPIQK-FZKQIMNGSA-N 1 1 343.858 3.871 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001171224764 1137349976 /nfs/dbraw/zinc/34/99/76/1137349976.db2.gz VABAWMNAZSFIDE-HRAATJIYSA-N 1 1 338.426 3.876 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001171229106 1137354233 /nfs/dbraw/zinc/35/42/33/1137354233.db2.gz KRJNIMPUWGWUSG-BZNIZROVSA-N 1 1 334.345 3.846 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001171229106 1137354235 /nfs/dbraw/zinc/35/42/35/1137354235.db2.gz KRJNIMPUWGWUSG-BZNIZROVSA-N 1 1 334.345 3.846 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC001171229483 1137354902 /nfs/dbraw/zinc/35/49/02/1137354902.db2.gz NYLYKMMVUZXBGZ-KRWDZBQOSA-N 1 1 330.435 3.807 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C1CCCC1)C1CCN(C)CC1 ZINC001171230214 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CC[C@H](C)OCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001172353023 1137553927 /nfs/dbraw/zinc/55/39/27/1137553927.db2.gz LCYOJDJESJDRRO-FUHIMQAGSA-N 1 1 330.472 3.995 20 30 EHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c[nH]c3c1cccc3F)C2 ZINC001137056404 1137571176 /nfs/dbraw/zinc/57/11/76/1137571176.db2.gz TYBDWGNMAIEDAY-OXJNMPFZSA-N 1 1 344.430 3.633 20 30 EHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@@H]2CCCc3cc(OC)ccc32)no1 ZINC000872178750 1137575374 /nfs/dbraw/zinc/57/53/74/1137575374.db2.gz RODZWPZFGBPFOI-HUUCEWRRSA-N 1 1 333.819 3.689 20 30 EHEDMO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)c2nccnc2C)cc1OC ZINC000873186663 1137593257 /nfs/dbraw/zinc/59/32/57/1137593257.db2.gz UTSJERSZNAPOPK-CYBMUJFWSA-N 1 1 347.846 3.863 20 30 EHEDMO Cc1[nH+]ccn1C[C@@H](C)OC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000873510147 1137601298 /nfs/dbraw/zinc/60/12/98/1137601298.db2.gz RCVUEIOWWJKAEC-OAHLLOKOSA-N 1 1 337.423 3.507 20 30 EHEDMO C[C@@H]1CCC[C@H](C)[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000125330460 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1 346.862 3.654 20 30 EHEDMO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886229408 1138061167 /nfs/dbraw/zinc/06/11/67/1138061167.db2.gz PATIPQLQXSYXLK-OCCSQVGLSA-N 1 1 346.862 3.654 20 30 EHEDMO COc1ccc(C[C@H]2CCCC[N@H+]2C[C@@H](O)CC2(C#N)CCC2)cc1 ZINC000886267481 1138062753 /nfs/dbraw/zinc/06/27/53/1138062753.db2.gz NXLAMQWIAYUIRF-MOPGFXCFSA-N 1 1 342.483 3.537 20 30 EHEDMO N#CC1(C[C@H](O)C[N@H+]2CCCSC[C@H]2c2ccccc2)CCC1 ZINC000886318064 1138067020 /nfs/dbraw/zinc/06/70/20/1138067020.db2.gz IKXLKWVALBOVBH-ROUUACIJSA-N 1 1 330.497 3.611 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000886355306 1138070439 /nfs/dbraw/zinc/07/04/39/1138070439.db2.gz GGVKXSMRMBHKBM-NSHDSACASA-N 1 1 336.222 3.889 20 30 EHEDMO N#CCC[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)CC1CC1 ZINC000081044905 1138165699 /nfs/dbraw/zinc/16/56/99/1138165699.db2.gz GQRGRXFAGNOROO-UHFFFAOYSA-N 1 1 340.254 3.948 20 30 EHEDMO COc1ccccc1C[N@@H+](Cc1ccc(C#N)s1)C[C@@H]1CCCO1 ZINC000130229621 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C[C@@H](c1cccc(Nc2snc(Cl)c2C#N)c1)[NH+]1CCOCC1 ZINC000271299658 1141341848 /nfs/dbraw/zinc/34/18/48/1141341848.db2.gz JWSGDPSPRJIMEJ-NSHDSACASA-N 1 1 348.859 3.805 20 30 EHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000339194449 1141524259 /nfs/dbraw/zinc/52/42/59/1141524259.db2.gz VBMBBVLPUGGFOH-FQEVSTJZSA-N 1 1 345.462 3.585 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC000348539907 1141548844 /nfs/dbraw/zinc/54/88/44/1141548844.db2.gz RDQIWDRAWBGCIU-NRFANRHFSA-N 1 1 347.462 3.997 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC000348539907 1141548847 /nfs/dbraw/zinc/54/88/47/1141548847.db2.gz RDQIWDRAWBGCIU-NRFANRHFSA-N 1 1 347.462 3.997 20 30 EHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000069036825 215355569 /nfs/dbraw/zinc/35/55/69/215355569.db2.gz PQVRYOBPZYEBCN-CQSZACIVSA-N 1 1 333.863 3.503 20 30 EHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000069036825 215355571 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EHEDMO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+](CCC#N)CC1CC1 ZINC000471190167 1015410805 /nfs/dbraw/zinc/41/08/05/1015410805.db2.gz DAYNRDCEDIVNJN-LJQANCHMSA-N 1 1 344.499 3.658 20 30 EHEDMO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+](CCC#N)CC1CC1 ZINC000471190166 1015410965 /nfs/dbraw/zinc/41/09/65/1015410965.db2.gz DAYNRDCEDIVNJN-IBGZPJMESA-N 1 1 344.499 3.658 20 30 EHEDMO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+](CCC#N)CC1CC1 ZINC000471190166 1015410970 /nfs/dbraw/zinc/41/09/70/1015410970.db2.gz DAYNRDCEDIVNJN-IBGZPJMESA-N 1 1 344.499 3.658 20 30 EHEDMO CCc1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)s1 ZINC000536684676 1032124378 /nfs/dbraw/zinc/12/43/78/1032124378.db2.gz XRCHSFYEMOADQB-UHFFFAOYSA-N 1 1 325.481 3.894 20 30 EHEDMO N#CCSCCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000154748208 1015794251 /nfs/dbraw/zinc/79/42/51/1015794251.db2.gz MYQRBPOMRCRXJN-GOSISDBHSA-N 1 1 346.521 3.931 20 30 EHEDMO C#CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccs1 ZINC001209269910 1016046637 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EHEDMO C#CC[N@@H+](CC(=O)N[C@@H](C)c1cccs1)[C@H]1CCc2ccccc21 ZINC000255588185 1032278018 /nfs/dbraw/zinc/27/80/18/1032278018.db2.gz MJNZVNPDQPVLMF-YJBOKZPZSA-N 1 1 338.476 3.548 20 30 EHEDMO C#CC[N@H+](CC(=O)N[C@@H](C)c1cccs1)[C@H]1CCc2ccccc21 ZINC000255588185 1032278030 /nfs/dbraw/zinc/27/80/30/1032278030.db2.gz MJNZVNPDQPVLMF-YJBOKZPZSA-N 1 1 338.476 3.548 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459640606 1032359980 /nfs/dbraw/zinc/35/99/80/1032359980.db2.gz LQUADWCZRQFJHP-INIZCTEOSA-N 1 1 338.373 3.739 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118390357 1032362832 /nfs/dbraw/zinc/36/28/32/1032362832.db2.gz JJURTFFIGSTEOY-QZTJIDSGSA-N 1 1 344.462 3.870 20 30 EHEDMO C=CC[N@H+](CC(=O)N(C)[C@@H]1CCCC[C@H]1C)Cc1ccc(OC)cc1 ZINC000584424763 1032511138 /nfs/dbraw/zinc/51/11/38/1032511138.db2.gz QFDWCTSWQXRXLS-YLJYHZDGSA-N 1 1 344.499 3.720 20 30 EHEDMO C=CC[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@H]1C)Cc1ccc(OC)cc1 ZINC000584424763 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1019001937 /nfs/dbraw/zinc/00/19/37/1019001937.db2.gz RDBFFUIBRKDESA-UHFFFAOYSA-N 1 1 325.431 3.698 20 30 EHEDMO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1cc(C#N)ccc1F ZINC000379636200 1019001953 /nfs/dbraw/zinc/00/19/53/1019001953.db2.gz RDBFFUIBRKDESA-UHFFFAOYSA-N 1 1 325.431 3.698 20 30 EHEDMO C=CCn1c(CCC(C)C)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000580380263 1019225699 /nfs/dbraw/zinc/22/56/99/1019225699.db2.gz AQUBEXJJBHBSMW-UHFFFAOYSA-N 1 1 345.535 3.507 20 30 EHEDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000513247066 1019474534 /nfs/dbraw/zinc/47/45/34/1019474534.db2.gz IWNPMIQNJOVSLQ-MJGOQNOKSA-N 1 1 339.483 3.754 20 30 EHEDMO C=CCc1cc(C[N@@H+](CCC)C[C@H]2CCCCO2)cc(OC)c1O ZINC000513446630 1019693507 /nfs/dbraw/zinc/69/35/07/1019693507.db2.gz HCMMMVFDCNRUIT-GOSISDBHSA-N 1 1 333.472 3.910 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)cc1)C1CC1 ZINC000434029239 1019905011 /nfs/dbraw/zinc/90/50/11/1019905011.db2.gz AYJLERNIZRPERB-LJQANCHMSA-N 1 1 339.483 3.825 20 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C[N@@H+](CCCc1nc(-c2ccccc2)no1)Cc1cccc(C#N)c1 ZINC000046518181 1026866250 /nfs/dbraw/zinc/86/62/50/1026866250.db2.gz QZJVEUDVJBAIFL-UHFFFAOYSA-N 1 1 332.407 3.673 20 30 EHEDMO Cc1csc(C2([NH2+]Cc3cnc4ccc(C#N)cn34)CCCC2)n1 ZINC000342731496 1026885838 /nfs/dbraw/zinc/88/58/38/1026885838.db2.gz QKYIZCBSNMYLEE-UHFFFAOYSA-N 1 1 337.452 3.530 20 30 EHEDMO C[N@@H+]1CC[C@@H](Nc2cc(C#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000342773691 1027006435 /nfs/dbraw/zinc/00/64/35/1027006435.db2.gz CGTFVSZWZNUZGF-NVXWUHKLSA-N 1 1 330.794 3.603 20 30 EHEDMO C[N@H+]1CC[C@@H](Nc2cc(C#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000342773691 1027006443 /nfs/dbraw/zinc/00/64/43/1027006443.db2.gz CGTFVSZWZNUZGF-NVXWUHKLSA-N 1 1 330.794 3.603 20 30 EHEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000501207972 1027136334 /nfs/dbraw/zinc/13/63/34/1027136334.db2.gz WEFAWBJQDQPKIL-FQEVSTJZSA-N 1 1 335.451 3.668 20 30 EHEDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2ccc(C#N)cc2OC)cc1 ZINC000501299215 1027184709 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342.487 3.682 20 30 EHEDMO CC[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)[C@H]1CCCCN1 ZINC000422997622 1028113900 /nfs/dbraw/zinc/11/39/00/1028113900.db2.gz VAMYJIHNMABBDG-NTFDOXNWSA-N 1 1 341.499 3.759 20 30 EHEDMO C=CCCC[N@H+]1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000502385686 1028163499 /nfs/dbraw/zinc/16/34/99/1028163499.db2.gz MDIWNIWSGRAXHM-HXUWFJFHSA-N 1 1 339.483 3.888 20 30 EHEDMO C=CCCC[N@@H+]1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000502385686 1028163515 /nfs/dbraw/zinc/16/35/15/1028163515.db2.gz MDIWNIWSGRAXHM-HXUWFJFHSA-N 1 1 339.483 3.888 20 30 EHEDMO Cc1cc(C)cc(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000444711059 1028189699 /nfs/dbraw/zinc/18/96/99/1028189699.db2.gz WQSKNAULMACMLN-UHFFFAOYSA-N 1 1 332.407 3.857 20 30 EHEDMO Cc1cc(C)cc(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000444711059 1028189707 /nfs/dbraw/zinc/18/97/07/1028189707.db2.gz WQSKNAULMACMLN-UHFFFAOYSA-N 1 1 332.407 3.857 20 30 EHEDMO COc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000353624812 1028201948 /nfs/dbraw/zinc/20/19/48/1028201948.db2.gz DWTBNHBKYHGHQW-UTKZUKDTSA-N 1 1 349.478 3.710 20 30 EHEDMO COc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000353624812 1028201969 /nfs/dbraw/zinc/20/19/69/1028201969.db2.gz DWTBNHBKYHGHQW-UTKZUKDTSA-N 1 1 349.478 3.710 20 30 EHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000502446842 1028218847 /nfs/dbraw/zinc/21/88/47/1028218847.db2.gz BQXNFZRFKSKVMI-QGZVFWFLSA-N 1 1 340.442 3.561 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000502446842 1028218865 /nfs/dbraw/zinc/21/88/65/1028218865.db2.gz BQXNFZRFKSKVMI-QGZVFWFLSA-N 1 1 340.442 3.561 20 30 EHEDMO C=CC[C@@H]1[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CCCC1(C)C ZINC000444773477 1028260465 /nfs/dbraw/zinc/26/04/65/1028260465.db2.gz DQQDXAWOLQYDTH-CABCVRRESA-N 1 1 346.437 3.854 20 30 EHEDMO C=CC[C@@H]1[N@@H+](Cc2cc(-c3cnn(C)c3C)no2)CCCC1(C)C ZINC000444775246 1028265646 /nfs/dbraw/zinc/26/56/46/1028265646.db2.gz MHZISXRHZZLULR-SFHVURJKSA-N 1 1 328.460 3.950 20 30 EHEDMO CC1(C)C[N@H+](Cc2cccc(C#N)c2F)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440560381 1028277856 /nfs/dbraw/zinc/27/78/56/1028277856.db2.gz HMFPPDMMGUPOGE-LIVBEALHSA-N 1 1 328.431 3.867 20 30 EHEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2F)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440560381 1028277870 /nfs/dbraw/zinc/27/78/70/1028277870.db2.gz HMFPPDMMGUPOGE-LIVBEALHSA-N 1 1 328.431 3.867 20 30 EHEDMO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C#N)CC1)c1cccc2ccccc21 ZINC000057877144 1028375070 /nfs/dbraw/zinc/37/50/70/1028375070.db2.gz DEEIMOWOBVRQDU-HZPDHXFCSA-N 1 1 335.451 3.641 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](C)CC1 ZINC000068829134 1028409011 /nfs/dbraw/zinc/40/90/11/1028409011.db2.gz IWJLHDVEWCKYFB-CVEARBPZSA-N 1 1 331.435 3.583 20 30 EHEDMO C=CCOc1cccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2CC)c1 ZINC000502597895 1028417215 /nfs/dbraw/zinc/41/72/15/1028417215.db2.gz VNRSEOCLDOBJRP-KRWDZBQOSA-N 1 1 331.460 3.637 20 30 EHEDMO CCOc1cc2c(cc1OCC)C[N@H+](Cc1cccc(C#N)c1)CC2 ZINC000016419045 1028436495 /nfs/dbraw/zinc/43/64/95/1028436495.db2.gz GPCAICKSVRTMAZ-UHFFFAOYSA-N 1 1 336.435 3.914 20 30 EHEDMO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC000016419045 1028436500 /nfs/dbraw/zinc/43/65/00/1028436500.db2.gz GPCAICKSVRTMAZ-UHFFFAOYSA-N 1 1 336.435 3.914 20 30 EHEDMO CCn1c(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)nc2ccccc21 ZINC000729682889 1028450398 /nfs/dbraw/zinc/45/03/98/1028450398.db2.gz GWKFDGRLQCTAEW-OAHLLOKOSA-N 1 1 334.423 3.637 20 30 EHEDMO N#Cc1ccc(C2=CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)cc1 ZINC000366979443 1028527018 /nfs/dbraw/zinc/52/70/18/1028527018.db2.gz CDIWDKNMYIXHPJ-UHFFFAOYSA-N 1 1 337.354 3.895 20 30 EHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)cc1 ZINC000366979443 1028527031 /nfs/dbraw/zinc/52/70/31/1028527031.db2.gz CDIWDKNMYIXHPJ-UHFFFAOYSA-N 1 1 337.354 3.895 20 30 EHEDMO CC(C)c1cc(N2CC=C(c3ccc(C#N)cc3)CC2)nc(N(C)C)[nH+]1 ZINC000502779540 1028673065 /nfs/dbraw/zinc/67/30/65/1028673065.db2.gz SKTYDPVAUCTIKE-UHFFFAOYSA-N 1 1 347.466 3.831 20 30 EHEDMO N#Cc1c(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cn2ccccc12 ZINC000343051066 1028803745 /nfs/dbraw/zinc/80/37/45/1028803745.db2.gz ZWBDUDCDKUMEKN-SFHVURJKSA-N 1 1 345.402 3.877 20 30 EHEDMO N#Cc1c(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cn2ccccc12 ZINC000343051066 1028803753 /nfs/dbraw/zinc/80/37/53/1028803753.db2.gz ZWBDUDCDKUMEKN-SFHVURJKSA-N 1 1 345.402 3.877 20 30 EHEDMO N#Cc1ccc(OCc2ccc(C[NH+]3CCOCC3)cc2)c(Cl)c1 ZINC000421831660 1028821850 /nfs/dbraw/zinc/82/18/50/1028821850.db2.gz DRDTWIUCKVNUGI-UHFFFAOYSA-N 1 1 342.826 3.623 20 30 EHEDMO CC(=O)c1ccc(C#N)cc1N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000324216285 1028882715 /nfs/dbraw/zinc/88/27/15/1028882715.db2.gz YGWHYKXFWKBCHA-KRWDZBQOSA-N 1 1 347.462 3.719 20 30 EHEDMO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000532817260 1028909265 /nfs/dbraw/zinc/90/92/65/1028909265.db2.gz BKRKSLBHFHOKSZ-HNAYVOBHSA-N 1 1 344.499 3.656 20 30 EHEDMO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000532817260 1028909282 /nfs/dbraw/zinc/90/92/82/1028909282.db2.gz BKRKSLBHFHOKSZ-HNAYVOBHSA-N 1 1 344.499 3.656 20 30 EHEDMO C=CCCO[C@@H](C)C(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000076170893 1028919363 /nfs/dbraw/zinc/91/93/63/1028919363.db2.gz QNKKIDPPMHGUAW-INIZCTEOSA-N 1 1 330.472 3.968 20 30 EHEDMO Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)nnn1-c1cccc(Cl)c1 ZINC000424320807 1028967832 /nfs/dbraw/zinc/96/78/32/1028967832.db2.gz GOCQSIMMWRQFMQ-CORIIIEPSA-N 1 1 329.835 3.572 20 30 EHEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCC1 ZINC000249474376 1029004067 /nfs/dbraw/zinc/00/40/67/1029004067.db2.gz JFASELOSOYWGSA-RDJZCZTQSA-N 1 1 332.513 3.994 20 30 EHEDMO C=CCCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000076736886 1029039301 /nfs/dbraw/zinc/03/93/01/1029039301.db2.gz FJTVOKPNVGOVNB-UHFFFAOYSA-N 1 1 331.485 3.725 20 30 EHEDMO CC(C)C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000532933436 1029060753 /nfs/dbraw/zinc/06/07/53/1029060753.db2.gz BGIWXWLPIWBHQU-UHFFFAOYSA-N 1 1 346.434 3.527 20 30 EHEDMO N#Cc1ccccc1COc1cccc(CNCC[NH+]2CCCCC2)c1 ZINC000237837221 1029207103 /nfs/dbraw/zinc/20/71/03/1029207103.db2.gz CDAVIHADSWZGQO-UHFFFAOYSA-N 1 1 349.478 3.713 20 30 EHEDMO C=CCN(C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000615001397 1029227245 /nfs/dbraw/zinc/22/72/45/1029227245.db2.gz DYDONCZBRBONCL-IBGZPJMESA-N 1 1 335.451 3.513 20 30 EHEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000424784985 1029333791 /nfs/dbraw/zinc/33/37/91/1029333791.db2.gz KSMQLCRRZXQJSE-OALUTQOASA-N 1 1 342.483 3.692 20 30 EHEDMO CCOCCCN1CC[C@H]([NH2+][C@H](CC)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000278152207 1029363749 /nfs/dbraw/zinc/36/37/49/1029363749.db2.gz AERBCPIYSZUXNQ-UIFIKXQLSA-N 1 1 343.515 3.736 20 30 EHEDMO CCC[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCc2ccccc21 ZINC000533256573 1029536148 /nfs/dbraw/zinc/53/61/48/1029536148.db2.gz SNQIPGOCBBEUCQ-QGZVFWFLSA-N 1 1 339.464 3.958 20 30 EHEDMO C[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000246006529 1029564117 /nfs/dbraw/zinc/56/41/17/1029564117.db2.gz YZSAZBZMEICIOG-IAGOWNOFSA-N 1 1 345.874 3.675 20 30 EHEDMO C[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000246006529 1029564130 /nfs/dbraw/zinc/56/41/30/1029564130.db2.gz YZSAZBZMEICIOG-IAGOWNOFSA-N 1 1 345.874 3.675 20 30 EHEDMO CCN(CC)[C@H](C[NH2+]Cc1ccc(C#N)cc1F)Cc1ccccc1 ZINC000533312309 1029597788 /nfs/dbraw/zinc/59/77/88/1029597788.db2.gz RYQDOUOBVZCKRY-FQEVSTJZSA-N 1 1 339.458 3.740 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000524907294 1029602507 /nfs/dbraw/zinc/60/25/07/1029602507.db2.gz QPIHOHOACYKISQ-SZMVWBNQSA-N 1 1 328.456 3.846 20 30 EHEDMO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)Cc2cc(C)[nH]n2)cc1OC ZINC000623453668 1029674397 /nfs/dbraw/zinc/67/43/97/1029674397.db2.gz ZISMCWAIKPOFNB-LBPRGKRZSA-N 1 1 349.862 3.666 20 30 EHEDMO C[C@H](CO)[N@@H+](CCCC1(C#N)CCOCC1)C[C@@H](C)c1ccccc1 ZINC000347385598 1029720066 /nfs/dbraw/zinc/72/00/66/1029720066.db2.gz ZZYDQFCHYPCZLH-RTBURBONSA-N 1 1 344.499 3.573 20 30 EHEDMO C=CCC(CC=C)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272209689 1029808090 /nfs/dbraw/zinc/80/80/90/1029808090.db2.gz FCTWKQLRFDLSPF-FXAWDEMLSA-N 1 1 326.484 3.782 20 30 EHEDMO C[C@@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000455709966 1029855737 /nfs/dbraw/zinc/85/57/37/1029855737.db2.gz VYHVWVYBOLGLQI-KBPBESRZSA-N 1 1 348.878 3.648 20 30 EHEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000525635120 1029985471 /nfs/dbraw/zinc/98/54/71/1029985471.db2.gz IIIYGHFFJPWVFC-FQEVSTJZSA-N 1 1 349.478 3.886 20 30 EHEDMO CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000151030564 1029999010 /nfs/dbraw/zinc/99/90/10/1029999010.db2.gz MLTFZWCRJSMRIC-GOSISDBHSA-N 1 1 335.451 3.844 20 30 EHEDMO COc1ccc(CN2CCC[N@@H+](CC(C)(C)CCC#N)CC2)cc1 ZINC000156871450 1030084178 /nfs/dbraw/zinc/08/41/78/1030084178.db2.gz XMAGNPOQMDVMQC-UHFFFAOYSA-N 1 1 329.488 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N#Cc1ccc(C2=CC[N@@H+](C[C@H](O)c3cc(F)ccc3F)CC2)cc1 ZINC000378357994 1038513339 /nfs/dbraw/zinc/51/33/39/1038513339.db2.gz TUWQAIXDCUZPQN-FQEVSTJZSA-N 1 1 340.373 3.659 20 30 EHEDMO CC[N@@H+](Cc1cccc(C#N)c1F)[C@H](COC)Cc1ccccc1 ZINC000539250048 1038742922 /nfs/dbraw/zinc/74/29/22/1038742922.db2.gz VKSLGHIBRYPVKS-IBGZPJMESA-N 1 1 326.415 3.777 20 30 EHEDMO CC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccc(OC)cc1 ZINC000539241717 1038749323 /nfs/dbraw/zinc/74/93/23/1038749323.db2.gz HAKQCURAFPATAX-IBGZPJMESA-N 1 1 338.407 3.594 20 30 EHEDMO CC(C)[C@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)N1CCCCCC1 ZINC000236680438 1038749638 /nfs/dbraw/zinc/74/96/38/1038749638.db2.gz CDFQKAXADLDPKH-NQIIRXRSSA-N 1 1 343.515 3.968 20 30 EHEDMO COc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000150166714 1038776546 /nfs/dbraw/zinc/77/65/46/1038776546.db2.gz XSBPYMSUBJOSOV-HXUWFJFHSA-N 1 1 349.434 3.733 20 30 EHEDMO C=CCCC[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487995770 1038780093 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C=CCSc1ccccc1C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000485466111 1039115041 /nfs/dbraw/zinc/11/50/41/1039115041.db2.gz ORCZMNRKPXGMKL-JKSUJKDBSA-N 1 1 332.513 3.815 20 30 EHEDMO C[C@H]1CN(c2ccc(C#N)cc2Br)CC[N@H+](C2CCC2)C1 ZINC000488713314 1039354541 /nfs/dbraw/zinc/35/45/41/1039354541.db2.gz BZIVDLUTRMKLTQ-CYBMUJFWSA-N 1 1 348.288 3.631 20 30 EHEDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2cc(C#N)ccc2C(F)(F)F)C[C@@H](C)C1 ZINC000488754462 1039373711 /nfs/dbraw/zinc/37/37/11/1039373711.db2.gz PSHBTZMQXCBRPJ-HEHGZKQESA-N 1 1 337.389 3.744 20 30 EHEDMO N#Cc1ccc(C[N@H+](C[C@@H](O)Cc2cccc(Cl)c2)C2CC2)cc1 ZINC000558081750 1039528447 /nfs/dbraw/zinc/52/84/47/1039528447.db2.gz MWUGCCHNFILOHY-FQEVSTJZSA-N 1 1 340.854 3.780 20 30 EHEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000552847333 1039562798 /nfs/dbraw/zinc/56/27/98/1039562798.db2.gz UHNUVQOWAPWOQE-RTBURBONSA-N 1 1 326.484 3.569 20 30 EHEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000187994542 1039795104 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332.407 3.540 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894086632 1040054230 /nfs/dbraw/zinc/05/42/30/1040054230.db2.gz YHUFYAGKIDRUJX-VQIMIIECSA-N 1 1 332.407 3.540 20 30 EHEDMO C=CC1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489857183 1040210852 /nfs/dbraw/zinc/21/08/52/1040210852.db2.gz QHNOYKQSCXJCPV-XLIONFOSSA-N 1 1 341.499 3.505 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000663868980 1040233077 /nfs/dbraw/zinc/23/30/77/1040233077.db2.gz VPQOBZHEYXVSPK-KDURUIRLSA-N 1 1 327.472 3.531 20 30 EHEDMO CCc1ccc([C@@H](C#N)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000489950812 1040252065 /nfs/dbraw/zinc/25/20/65/1040252065.db2.gz GQGUXGBKFBBLKC-UYAOXDASSA-N 1 1 339.483 3.584 20 30 EHEDMO C[C@@H](N[C@H](Cc1ccccc1)C[NH+](C)C)c1ccc(C#N)cc1F ZINC000512617319 1040281846 /nfs/dbraw/zinc/28/18/46/1040281846.db2.gz FGPIUFRCKSDUME-CRAIPNDOSA-N 1 1 325.431 3.521 20 30 EHEDMO O=c1[nH]c2ccccc2cc1C=N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000912779290 1040285529 /nfs/dbraw/zinc/28/55/29/1040285529.db2.gz ZJCBLVJZYMOXJM-MEGCXXLRSA-N 1 1 331.419 3.634 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000614164396 1040319031 /nfs/dbraw/zinc/31/90/31/1040319031.db2.gz AAJPQOGSOAVAIZ-HXUWFJFHSA-N 1 1 325.500 3.938 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000614164396 1040319050 /nfs/dbraw/zinc/31/90/50/1040319050.db2.gz AAJPQOGSOAVAIZ-HXUWFJFHSA-N 1 1 325.500 3.938 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2ccc(Cl)cc2C#N)C1 ZINC000614169586 1040345467 /nfs/dbraw/zinc/34/54/67/1040345467.db2.gz FRLIFWZRPAKCST-FQEVSTJZSA-N 1 1 339.870 3.918 20 30 EHEDMO C=C(C)[C@@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)c1ccc(F)c(F)c1 ZINC000512649067 1040392676 /nfs/dbraw/zinc/39/26/76/1040392676.db2.gz SZKJLZKVSGROHR-LJQANCHMSA-N 1 1 344.361 3.703 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)C2(C)CCCC2)c1C ZINC000490198600 1040398557 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Cc1ccccc1-n1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)nn1 ZINC000418142590 1040653134 /nfs/dbraw/zinc/65/31/34/1040653134.db2.gz HEUMIMPOSCTBEI-FQEVSTJZSA-N 1 1 343.434 3.615 20 30 EHEDMO CC1(C#N)CC[NH+](Cc2cccc(F)c2OCC(F)(F)F)CC1 ZINC000600146105 1040723097 /nfs/dbraw/zinc/72/30/97/1040723097.db2.gz FPWKRBZXCBFYHS-UHFFFAOYSA-N 1 1 330.325 3.892 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000500220284 1040751715 /nfs/dbraw/zinc/75/17/15/1040751715.db2.gz WAFJOLJNYOFUQX-AZUAARDMSA-N 1 1 326.484 3.530 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000500220286 1040752392 /nfs/dbraw/zinc/75/23/92/1040752392.db2.gz WAFJOLJNYOFUQX-QUCCMNQESA-N 1 1 326.484 3.530 20 30 EHEDMO COc1nc(NCCC[N@H+]2CCCC[C@@H]2C)c(C#N)c(C)c1Cl ZINC001167752076 1040825469 /nfs/dbraw/zinc/82/54/69/1040825469.db2.gz RGAPBZHBAIRKBG-LBPRGKRZSA-N 1 1 336.867 3.600 20 30 EHEDMO C=CCn1c2ccccc2n(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1=S ZINC000123823607 1040949070 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20 30 EHEDMO COc1cccc(OC(F)(F)F)c1C[NH2+]Cc1ccc(C#N)s1 ZINC000513007292 1041381518 /nfs/dbraw/zinc/38/15/18/1041381518.db2.gz MQHYITJMARKFOC-UHFFFAOYSA-N 1 1 342.342 3.817 20 30 EHEDMO C[NH+]1CCN(c2ccc(NCc3ccc(C#N)cc3)cc2Cl)CC1 ZINC000124759914 1041735137 /nfs/dbraw/zinc/73/51/37/1041735137.db2.gz IHKMLEYEZJXXIL-UHFFFAOYSA-N 1 1 340.858 3.576 20 30 EHEDMO COc1ccc(-n2ccc(C[NH2+][C@@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000181694379 1041761561 /nfs/dbraw/zinc/76/15/61/1041761561.db2.gz RRFLQKVWTPLJEQ-HNNXBMFYSA-N 1 1 332.407 3.603 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCc2sccc2[C@H]1CC ZINC000662079645 1042500196 /nfs/dbraw/zinc/50/01/96/1042500196.db2.gz IDXBUZHWJIFRPP-HLLBOEOZSA-N 1 1 330.497 3.767 20 30 EHEDMO N#Cc1ccc(F)cc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000382264635 1042649043 /nfs/dbraw/zinc/64/90/43/1042649043.db2.gz OEOOBVQWHJCJKS-FPOVZHCZSA-N 1 1 349.453 3.651 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc(C#N)cc2C)cc1 ZINC000128623105 1042796458 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1126887548 /nfs/dbraw/zinc/88/75/48/1126887548.db2.gz GRPNHVLQUJVHTM-SFHVURJKSA-N 1 1 325.456 3.521 20 30 EHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000083170112 1127221448 /nfs/dbraw/zinc/22/14/48/1127221448.db2.gz OYWHYGJPQPKMSN-QUCCMNQESA-N 1 1 334.419 3.570 20 30 EHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000083170112 1127221449 /nfs/dbraw/zinc/22/14/49/1127221449.db2.gz OYWHYGJPQPKMSN-QUCCMNQESA-N 1 1 334.419 3.570 20 30 EHEDMO C=CCn1c(-c2ccccn2)nn(C[N@@H+](CC)[C@@H](C)C(C)C)c1=S ZINC000764923976 1127553119 /nfs/dbraw/zinc/55/31/19/1127553119.db2.gz HOFDRZSWCFBEFP-HNNXBMFYSA-N 1 1 345.516 3.986 20 30 EHEDMO C=CCn1c(-c2ccccn2)nn(C[N@H+](CC)[C@@H](C)C(C)C)c1=S ZINC000764923976 1127553123 /nfs/dbraw/zinc/55/31/23/1127553123.db2.gz HOFDRZSWCFBEFP-HNNXBMFYSA-N 1 1 345.516 3.986 20 30 EHEDMO C=CC[N@@H+](CCC(=O)Nc1cc(F)ccc1C)CCc1ccco1 ZINC001168579042 1128007052 /nfs/dbraw/zinc/00/70/52/1128007052.db2.gz GVCWWHIWTRKTDZ-UHFFFAOYSA-N 1 1 330.403 3.786 20 30 EHEDMO Cc1cc(C#N)cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC001670905537 1128019483 /nfs/dbraw/zinc/01/94/83/1128019483.db2.gz HHRIJXZSTDPTGB-UZLBHIALSA-N 1 1 348.450 3.651 20 30 EHEDMO Cc1cc(C#N)cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC001670905535 1128019844 /nfs/dbraw/zinc/01/98/44/1128019844.db2.gz HHRIJXZSTDPTGB-OXJNMPFZSA-N 1 1 348.450 3.651 20 30 EHEDMO COc1cc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2Br)ccn1 ZINC000347542632 1128062786 /nfs/dbraw/zinc/06/27/86/1128062786.db2.gz PVSJEHCYFVJYCI-LLVKDONJSA-N 1 1 346.228 3.575 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cccs1 ZINC000073605411 1128425004 /nfs/dbraw/zinc/42/50/04/1128425004.db2.gz ATXQCQMJQILJOJ-AWEZNQCLSA-N 1 1 345.443 3.654 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1cccs1 ZINC000073605411 1128425006 /nfs/dbraw/zinc/42/50/06/1128425006.db2.gz ATXQCQMJQILJOJ-AWEZNQCLSA-N 1 1 345.443 3.654 20 30 EHEDMO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccc(C#N)s1 ZINC000153585499 1128475210 /nfs/dbraw/zinc/47/52/10/1128475210.db2.gz JYFNUVIVGOHBEY-HOTGVXAUSA-N 1 1 339.508 3.866 20 30 EHEDMO C=CCc1cc(C[NH2+]Cc2c(Cl)n[nH]c2CC)cc(OC)c1OC ZINC000921694519 1128570669 /nfs/dbraw/zinc/57/06/69/1128570669.db2.gz MHUFNFMRIHLEDF-UHFFFAOYSA-N 1 1 349.862 3.661 20 30 EHEDMO N#Cc1cc(Cl)ccc1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301184786 1128576948 /nfs/dbraw/zinc/57/69/48/1128576948.db2.gz JDPZJFNRVKGTNO-SFHVURJKSA-N 1 1 341.842 3.525 20 30 EHEDMO N#Cc1cc(Cl)ccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301184786 1128576952 /nfs/dbraw/zinc/57/69/52/1128576952.db2.gz JDPZJFNRVKGTNO-SFHVURJKSA-N 1 1 341.842 3.525 20 30 EHEDMO N#Cc1ccc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc1Cl ZINC000301222234 1128579389 /nfs/dbraw/zinc/57/93/89/1128579389.db2.gz BCAWGPNWSQIYHT-IBGZPJMESA-N 1 1 341.842 3.697 20 30 EHEDMO CN(C)c1cc[nH+]c(NCc2cccc(-c3ccc(C#N)s3)c2)n1 ZINC000301793707 1128605777 /nfs/dbraw/zinc/60/57/77/1128605777.db2.gz XSTXLHHGMMOHDG-UHFFFAOYSA-N 1 1 335.436 3.755 20 30 EHEDMO N#Cc1ccc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000302135492 1128621656 /nfs/dbraw/zinc/62/16/56/1128621656.db2.gz HTVHSWMJVVQUMY-HSALFYBXSA-N 1 1 332.451 3.666 20 30 EHEDMO CC[C@@H]1CN(c2ncc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000302138653 1128621792 /nfs/dbraw/zinc/62/17/92/1128621792.db2.gz CQAOTHUZENZDLZ-QGZVFWFLSA-N 1 1 340.858 3.707 20 30 EHEDMO CC[C@@H]1CN(c2ncc(C#N)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000302138653 1128621793 /nfs/dbraw/zinc/62/17/93/1128621793.db2.gz CQAOTHUZENZDLZ-QGZVFWFLSA-N 1 1 340.858 3.707 20 30 EHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000302218075 1128626894 /nfs/dbraw/zinc/62/68/94/1128626894.db2.gz QHUHECMLOPFWSG-UHFFFAOYSA-N 1 1 338.411 3.919 20 30 EHEDMO N#Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000302232415 1128628113 /nfs/dbraw/zinc/62/81/13/1128628113.db2.gz ZDZRVYHVGOSAPX-QGZVFWFLSA-N 1 1 336.395 3.543 20 30 EHEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000929241758 1128721078 /nfs/dbraw/zinc/72/10/78/1128721078.db2.gz UJONOCHIMOIIDJ-UHFFFAOYSA-N 1 1 341.842 3.899 20 30 EHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000929241758 1128721083 /nfs/dbraw/zinc/72/10/83/1128721083.db2.gz UJONOCHIMOIIDJ-UHFFFAOYSA-N 1 1 341.842 3.899 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000153847616 1128760161 /nfs/dbraw/zinc/76/01/61/1128760161.db2.gz FVLDOQVHQDCQIS-IBGZPJMESA-N 1 1 336.435 3.606 20 30 EHEDMO COc1ccc([C@H]2C[C@H]([N@@H+](C)Cc3cccc(C#N)c3)CCO2)cc1 ZINC001168673183 1128776338 /nfs/dbraw/zinc/77/63/38/1128776338.db2.gz QZWKYUZEPKLITK-TZIWHRDSSA-N 1 1 336.435 3.919 20 30 EHEDMO C=CC[N@@H+](CCc1ccco1)Cc1cc(C(=O)OC)ccc1Cl ZINC001653045356 1120068972 /nfs/dbraw/zinc/06/89/72/1120068972.db2.gz QZSUZDRKXSJSSE-UHFFFAOYSA-N 1 1 333.815 3.950 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(C(=O)OC)ccc1Cl ZINC001653045356 1120068975 /nfs/dbraw/zinc/06/89/75/1120068975.db2.gz QZSUZDRKXSJSSE-UHFFFAOYSA-N 1 1 333.815 3.950 20 30 EHEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000494554965 1120593059 /nfs/dbraw/zinc/59/30/59/1120593059.db2.gz MYRJCBBPWOIJGN-LBPRGKRZSA-N 1 1 339.867 3.818 20 30 EHEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000193636223 1120789127 /nfs/dbraw/zinc/78/91/27/1120789127.db2.gz CWTPMHLZCUAUOJ-HZPDHXFCSA-N 1 1 342.487 3.730 20 30 EHEDMO CCOc1ccc(O)c(/C=N\CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000914701888 1120955998 /nfs/dbraw/zinc/95/59/98/1120955998.db2.gz QVKDZAFDRLDDLD-JCMHNJIXSA-N 1 1 338.451 3.658 20 30 EHEDMO C=CCn1ccc2c1nc[nH+]c2N[C@@H](c1ccccn1)C(F)(F)F ZINC001168479057 1120972909 /nfs/dbraw/zinc/97/29/09/1120972909.db2.gz RKFRDWWCEPGMLQ-ZDUSSCGKSA-N 1 1 333.317 3.728 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC1CC1 ZINC000112983465 1128964858 /nfs/dbraw/zinc/96/48/58/1128964858.db2.gz KPIXCZXXYQXIQD-UHFFFAOYSA-N 1 1 331.485 3.559 20 30 EHEDMO Cc1nc(NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)ccc1C#N ZINC000487928393 1121271212 /nfs/dbraw/zinc/27/12/12/1121271212.db2.gz IMIFITQAPZIGDI-INIZCTEOSA-N 1 1 334.467 3.528 20 30 EHEDMO C=CCOCc1ncn2c1C[N@@H+]([C@@H](C)Cc1cccc(F)c1)CCC2 ZINC001168489578 1121274250 /nfs/dbraw/zinc/27/42/50/1121274250.db2.gz WTZNMHRJFAEEHI-INIZCTEOSA-N 1 1 343.446 3.562 20 30 EHEDMO CCCC[C@H](CC)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)C#N)C2 ZINC001272610766 1121286522 /nfs/dbraw/zinc/28/65/22/1121286522.db2.gz LTGBLSFSBWVADR-HBFSDRIKSA-N 1 1 333.520 3.677 20 30 EHEDMO COc1ccc(O)c(/C=N\Cc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000915271240 1121291985 /nfs/dbraw/zinc/29/19/85/1121291985.db2.gz PPDCGKVIOHGMGF-BKUYFWCQSA-N 1 1 326.440 3.860 20 30 EHEDMO N#Cc1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311078228 1128979868 /nfs/dbraw/zinc/97/98/68/1128979868.db2.gz WDRRSELGKHXILM-QFIPXVFZSA-N 1 1 333.479 3.950 20 30 EHEDMO N#Cc1cccc(CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000311078228 1128979873 /nfs/dbraw/zinc/97/98/73/1128979873.db2.gz WDRRSELGKHXILM-QFIPXVFZSA-N 1 1 333.479 3.950 20 30 EHEDMO N#Cc1cccc(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311078228 1128979876 /nfs/dbraw/zinc/97/98/76/1128979876.db2.gz WDRRSELGKHXILM-QFIPXVFZSA-N 1 1 333.479 3.950 20 30 EHEDMO C=C(C)COc1cc(CNCC[N@@H+](C)C2CCCC2)ccc1OC ZINC000237136176 1121473764 /nfs/dbraw/zinc/47/37/64/1121473764.db2.gz ZWMZEMFTJWCVAI-UHFFFAOYSA-N 1 1 332.488 3.614 20 30 EHEDMO C=C(C)COc1cc(C[NH2+]CCN(C)C2CCCC2)ccc1OC ZINC000237136176 1121473770 /nfs/dbraw/zinc/47/37/70/1121473770.db2.gz ZWMZEMFTJWCVAI-UHFFFAOYSA-N 1 1 332.488 3.614 20 30 EHEDMO Cc1cc(C[N@@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC000496005424 1121604045 /nfs/dbraw/zinc/60/40/45/1121604045.db2.gz OWUFBTRNJPAGSF-YJBOKZPZSA-N 1 1 343.471 3.602 20 30 EHEDMO CC[N@H+](CC(=O)Nc1c(F)cccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000193761212 1121621770 /nfs/dbraw/zinc/62/17/70/1121621770.db2.gz GLKQUMBLPAMFTP-CYBMUJFWSA-N 1 1 343.377 3.858 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000193761212 1121621774 /nfs/dbraw/zinc/62/17/74/1121621774.db2.gz GLKQUMBLPAMFTP-CYBMUJFWSA-N 1 1 343.377 3.858 20 30 EHEDMO Cc1cc(C)c(C#N)c(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000488015737 1121632160 /nfs/dbraw/zinc/63/21/60/1121632160.db2.gz STNMRHDPGLKKHA-IBGZPJMESA-N 1 1 334.467 3.547 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1ccc(Cl)s1 ZINC000077247386 1129002425 /nfs/dbraw/zinc/00/24/25/1129002425.db2.gz OPMFHVIOGOIROK-UHFFFAOYSA-N 1 1 336.844 3.793 20 30 EHEDMO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000496124554 1121703906 /nfs/dbraw/zinc/70/39/06/1121703906.db2.gz YPEPURYGOGMNQR-MRXNPFEDSA-N 1 1 337.508 3.943 20 30 EHEDMO N#Cc1c(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)cn2ccccc12 ZINC000609234110 1121808277 /nfs/dbraw/zinc/80/82/77/1121808277.db2.gz PVGKMEAJRQAXLL-NRFANRHFSA-N 1 1 331.419 3.775 20 30 EHEDMO N#Cc1c(C[N@H+]2CCCO[C@H](c3ccccc3)C2)cn2ccccc12 ZINC000609234110 1121808281 /nfs/dbraw/zinc/80/82/81/1121808281.db2.gz PVGKMEAJRQAXLL-NRFANRHFSA-N 1 1 331.419 3.775 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)cc1 ZINC000763236062 1121917000 /nfs/dbraw/zinc/91/70/00/1121917000.db2.gz PGYGCJARZKEGPH-QUCCMNQESA-N 1 1 340.854 3.952 20 30 EHEDMO CCC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCc2ccccc2C1 ZINC000763236772 1121917612 /nfs/dbraw/zinc/91/76/12/1121917612.db2.gz UBPLKHLYHDLVQD-FCHUYYIVSA-N 1 1 334.463 3.861 20 30 EHEDMO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCCCC(C)(C)C#N ZINC000496632165 1122142294 /nfs/dbraw/zinc/14/22/94/1122142294.db2.gz JXULDPFUIUZPCM-HOTGVXAUSA-N 1 1 337.508 3.942 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000763409672 1122230172 /nfs/dbraw/zinc/23/01/72/1122230172.db2.gz GZVVDUHJCDEQOZ-IEBWSBKVSA-N 1 1 326.827 3.735 20 30 EHEDMO CCC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H]1C[C@H](OCC)C1(C)C ZINC000763408519 1122230252 /nfs/dbraw/zinc/23/02/52/1122230252.db2.gz CNXPWOXUKHSWRB-FHWLQOOXSA-N 1 1 330.472 3.507 20 30 EHEDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000615226292 1122426670 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LEIYZKUGUSBMIB-OAQYLSRUSA-N 1 1 344.499 3.748 20 30 EHEDMO C=CC[N@H+](Cc1cccs1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790264780 1134392322 /nfs/dbraw/zinc/39/23/22/1134392322.db2.gz VIOZSEQFQCDVQZ-IBGZPJMESA-N 1 1 340.492 3.927 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790264780 1134392328 /nfs/dbraw/zinc/39/23/28/1134392328.db2.gz VIOZSEQFQCDVQZ-IBGZPJMESA-N 1 1 340.492 3.927 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC001189267960 1134564673 /nfs/dbraw/zinc/56/46/73/1134564673.db2.gz NVJQXSDQAWHBQQ-NRFANRHFSA-N 1 1 341.499 3.692 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC001189276364 1134566362 /nfs/dbraw/zinc/56/63/62/1134566362.db2.gz MLERWBZUUDDWEI-SFHVURJKSA-N 1 1 329.488 3.737 20 30 EHEDMO C=C(C)Cc1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001190224507 1134668682 /nfs/dbraw/zinc/66/86/82/1134668682.db2.gz PKCREGGBJONMIJ-IBGZPJMESA-N 1 1 336.435 3.802 20 30 EHEDMO CC(C)CNC(=O)CCC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC001190615559 1134720661 /nfs/dbraw/zinc/72/06/61/1134720661.db2.gz DQXIFXFDWFJQDK-UHFFFAOYSA-N 1 1 329.488 3.569 20 30 EHEDMO N#CC1(c2ccccc2)CCC([N@@H+](CCN)Cc2ccccc2)CC1 ZINC001170359662 1134755635 /nfs/dbraw/zinc/75/56/35/1134755635.db2.gz DGGGGHVEFHZIGR-UHFFFAOYSA-N 1 1 333.479 3.851 20 30 EHEDMO N#CC1(c2ccccc2)CCC(N(CC[NH3+])Cc2ccccc2)CC1 ZINC001170359662 1134755637 /nfs/dbraw/zinc/75/56/37/1134755637.db2.gz DGGGGHVEFHZIGR-UHFFFAOYSA-N 1 1 333.479 3.851 20 30 EHEDMO CCCCOC(=O)[C@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170359216 1134755861 /nfs/dbraw/zinc/75/58/61/1134755861.db2.gz QTIPLRJXYTZSAO-VQSBYGRUSA-N 1 1 328.456 3.712 20 30 EHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@@H]2CN2CCCC2)CC1 ZINC001170389217 1134763077 /nfs/dbraw/zinc/76/30/77/1134763077.db2.gz NBKSZOSDRPABML-ATKRNPRHSA-N 1 1 337.511 3.951 20 30 EHEDMO N#CC1(c2ccccc2)CCC(N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC001170389217 1134763081 /nfs/dbraw/zinc/76/30/81/1134763081.db2.gz NBKSZOSDRPABML-ATKRNPRHSA-N 1 1 337.511 3.951 20 30 EHEDMO CC(C)N(C)[C@@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170399202 1134765090 /nfs/dbraw/zinc/76/50/90/1134765090.db2.gz ZLYUMWHGCLRTHT-NYLDSWQDSA-N 1 1 325.500 3.805 20 30 EHEDMO CC(C)[N@H+](C)[C@@H]1CCN(C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170399202 1134765094 /nfs/dbraw/zinc/76/50/94/1134765094.db2.gz ZLYUMWHGCLRTHT-NYLDSWQDSA-N 1 1 325.500 3.805 20 30 EHEDMO CC(C)[N@@H+](C)[C@@H]1CCN(C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170399202 1134765101 /nfs/dbraw/zinc/76/51/01/1134765101.db2.gz ZLYUMWHGCLRTHT-NYLDSWQDSA-N 1 1 325.500 3.805 20 30 EHEDMO N#Cc1cccc(C2([NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)c1 ZINC000775430091 1134780229 /nfs/dbraw/zinc/78/02/29/1134780229.db2.gz MTRWOLSOPDURBL-UHFFFAOYSA-N 1 1 327.771 3.899 20 30 EHEDMO CCCCCCCCNC(=O)N1CCN(c2ccc(C)c[nH+]2)CC1 ZINC001191064085 1134785477 /nfs/dbraw/zinc/78/54/77/1134785477.db2.gz PAWKBEXBKPISDA-UHFFFAOYSA-N 1 1 332.492 3.582 20 30 EHEDMO C[C@@H](C#N)C[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C1CC1 ZINC000792833534 1134798514 /nfs/dbraw/zinc/79/85/14/1134798514.db2.gz CZUHLMOZNIKJRQ-LBPRGKRZSA-N 1 1 325.378 3.895 20 30 EHEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C1CC1 ZINC000792833534 1134798520 /nfs/dbraw/zinc/79/85/20/1134798520.db2.gz CZUHLMOZNIKJRQ-LBPRGKRZSA-N 1 1 325.378 3.895 20 30 EHEDMO C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC001191443675 1134868093 /nfs/dbraw/zinc/86/80/93/1134868093.db2.gz FIKBDJOYWBLAOT-PMACEKPBSA-N 1 1 326.484 3.776 20 30 EHEDMO C#CC[N@@H+](CC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1)CC1CC1 ZINC001192303427 1135002782 /nfs/dbraw/zinc/00/27/82/1135002782.db2.gz PHJXBEYKUVNMAY-UHFFFAOYSA-N 1 1 338.495 3.646 20 30 EHEDMO C#CC[N@H+](CC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1)CC1CC1 ZINC001192303427 1135002788 /nfs/dbraw/zinc/00/27/88/1135002788.db2.gz PHJXBEYKUVNMAY-UHFFFAOYSA-N 1 1 338.495 3.646 20 30 EHEDMO C#CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC001192305559 1135003505 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342.361 3.812 20 30 EHEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCSc3ccccc32)C1 ZINC001195954827 1135500535 /nfs/dbraw/zinc/50/05/35/1135500535.db2.gz MCFKQHWFPCEYMA-CVEARBPZSA-N 1 1 330.497 3.802 20 30 EHEDMO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1C(=S)Nc1ccccc1C#N ZINC001196311608 1135541638 /nfs/dbraw/zinc/54/16/38/1135541638.db2.gz JBLIOIYEFWOLNO-DLBZAZTESA-N 1 1 342.512 3.594 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(CCF)CC1 ZINC001196760214 1135603028 /nfs/dbraw/zinc/60/30/28/1135603028.db2.gz TZHLIBROKOOPHY-LBPRGKRZSA-N 1 1 337.826 3.610 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC001197701477 1135727637 /nfs/dbraw/zinc/72/76/37/1135727637.db2.gz JTYNRKBYEANQNB-LJQANCHMSA-N 1 1 332.447 3.565 20 30 EHEDMO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809644096 1135864682 /nfs/dbraw/zinc/86/46/82/1135864682.db2.gz VTAYDEZZKJKBHU-PXNSSMCTSA-N 1 1 338.451 3.751 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCCN(C)Cc2ccco2)cc1 ZINC000809718605 1135877596 /nfs/dbraw/zinc/87/75/96/1135877596.db2.gz LWFFGIRALSEEBV-KRWDZBQOSA-N 1 1 341.455 3.524 20 30 EHEDMO C#C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)C ZINC000809782397 1135891126 /nfs/dbraw/zinc/89/11/26/1135891126.db2.gz SGHBDAJDEIHVHC-HNNXBMFYSA-N 1 1 329.425 3.856 20 30 EHEDMO CN(C)c1cc[nH+]cc1C(=O)Nc1ccccc1-c1ccc(C#N)cc1 ZINC001199354182 1135897050 /nfs/dbraw/zinc/89/70/50/1135897050.db2.gz XVYATSFYOKMVNP-UHFFFAOYSA-N 1 1 342.402 3.939 20 30 EHEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(N2CCCCC2=O)cc1 ZINC000810130526 1135925073 /nfs/dbraw/zinc/92/50/73/1135925073.db2.gz VQZUKXGRHPUZPL-INIZCTEOSA-N 1 1 333.435 3.926 20 30 EHEDMO N#Cc1csc(C[NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)n1 ZINC000810146744 1135930441 /nfs/dbraw/zinc/93/04/41/1135930441.db2.gz WLPFOYGRCCVCKX-UHFFFAOYSA-N 1 1 336.445 3.905 20 30 EHEDMO C[N@@H+]1CCc2c(C#N)c(NC(=S)NC3CCCCCC3)sc2C1 ZINC001199958644 1135940651 /nfs/dbraw/zinc/94/06/51/1135940651.db2.gz AJZBSAFAGDFKAY-UHFFFAOYSA-N 1 1 348.541 3.617 20 30 EHEDMO C[N@H+]1CCc2c(C#N)c(NC(=S)NC3CCCCCC3)sc2C1 ZINC001199958644 1135940652 /nfs/dbraw/zinc/94/06/52/1135940652.db2.gz AJZBSAFAGDFKAY-UHFFFAOYSA-N 1 1 348.541 3.617 20 30 EHEDMO C=CCc1ccc(OC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)c(OC)c1 ZINC000810527047 1135970580 /nfs/dbraw/zinc/97/05/80/1135970580.db2.gz UFZUNZWBCBBOBG-LJQANCHMSA-N 1 1 335.419 3.542 20 30 EHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN=Nc1ccc(Cl)nn1 ZINC000747625543 1136002580 /nfs/dbraw/zinc/00/25/80/1136002580.db2.gz MVCCYBCDQBWSSE-UHFFFAOYSA-N 1 1 331.851 3.686 20 30 EHEDMO CCCCCCC[N@H+]1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001201762499 1136060450 /nfs/dbraw/zinc/06/04/50/1136060450.db2.gz MYWRDARVPLPECY-APWZRJJASA-N 1 1 336.451 3.518 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001201797937 1136064054 /nfs/dbraw/zinc/06/40/54/1136064054.db2.gz HZQBJFRFMICFJB-CYBMUJFWSA-N 1 1 331.382 3.919 20 30 EHEDMO CCCCCCCC[N@H+]1CC[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001201814104 1136064946 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C#CC[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)C1CCCCC1 ZINC000851738189 1136403269 /nfs/dbraw/zinc/40/32/69/1136403269.db2.gz XDKRZKSMABJZTK-SFHVURJKSA-N 1 1 328.481 3.757 20 30 EHEDMO C=CC[C@H]1[N@@H+](C[C@@H](O)P(=O)(OCC)OCC)CCCC1(C)C ZINC000851988854 1136425389 /nfs/dbraw/zinc/42/53/89/1136425389.db2.gz CVTNONMNKVSYMD-CABCVRRESA-N 1 1 333.409 3.638 20 30 EHEDMO C=CCCCC[N@@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852475498 1136458425 /nfs/dbraw/zinc/45/84/25/1136458425.db2.gz DSERXDVFZSTZBK-HOTGVXAUSA-N 1 1 346.437 3.998 20 30 EHEDMO C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000747967060 1136487908 /nfs/dbraw/zinc/48/79/08/1136487908.db2.gz IGSYKGIUQPKQBI-CRAIPNDOSA-N 1 1 343.471 3.683 20 30 EHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000814642050 1136488165 /nfs/dbraw/zinc/48/81/65/1136488165.db2.gz MKNKRTPKLNHXSE-VQTJNVASSA-N 1 1 334.419 3.652 20 30 EHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000814642050 1136488168 /nfs/dbraw/zinc/48/81/68/1136488168.db2.gz MKNKRTPKLNHXSE-VQTJNVASSA-N 1 1 334.419 3.652 20 30 EHEDMO CC1(C)CC(=[NH+]NCCc2ccccc2F)c2cc(N)ccc2O1 ZINC000814875854 1136518729 /nfs/dbraw/zinc/51/87/29/1136518729.db2.gz ZEDFKTKKAYDXSE-UHFFFAOYSA-N 1 1 327.403 3.505 20 30 EHEDMO Cc1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc(C[NH+](C)C)cc1 ZINC000814931094 1136526738 /nfs/dbraw/zinc/52/67/38/1136526738.db2.gz HRLGFSJMPHOYHB-UHFFFAOYSA-N 1 1 326.400 3.801 20 30 EHEDMO CCc1cccc(C)c1N[NH+]=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853343117 1136526715 /nfs/dbraw/zinc/52/67/15/1136526715.db2.gz UVVMNNNLFSVIGO-UHFFFAOYSA-N 1 1 337.467 3.965 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCC[C@@H](COC)C1 ZINC000112960764 1136665318 /nfs/dbraw/zinc/66/53/18/1136665318.db2.gz GBILYJAIJJARKK-OAHLLOKOSA-N 1 1 331.485 3.630 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000816457318 1136718370 /nfs/dbraw/zinc/71/83/70/1136718370.db2.gz YGCLOFALTCXWQJ-LAUBAEHRSA-N 1 1 348.446 3.934 20 30 EHEDMO Cc1oc(C#N)cc1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000816451868 1136722432 /nfs/dbraw/zinc/72/24/32/1136722432.db2.gz SQBDXXAIPRJTBU-AUUYWEPGSA-N 1 1 338.407 3.527 20 30 EHEDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C#N)o2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817418356 1136806424 /nfs/dbraw/zinc/80/64/24/1136806424.db2.gz MZIJJNMNCVFTAF-RBSFLKMASA-N 1 1 347.459 3.522 20 30 EHEDMO C=C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)c1ccccc1 ZINC001136014841 1136840198 /nfs/dbraw/zinc/84/01/98/1136840198.db2.gz LXDWCTRUNYNNHD-JOCHJYFZSA-N 1 1 348.490 3.999 20 30 EHEDMO C[C@H](NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)c1cccc(C#N)c1 ZINC000857142519 1136847429 /nfs/dbraw/zinc/84/74/29/1136847429.db2.gz WBUAWFOMGQVHSA-HRAATJIYSA-N 1 1 347.462 3.858 20 30 EHEDMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)nc1 ZINC000858013131 1136930777 /nfs/dbraw/zinc/93/07/77/1136930777.db2.gz HAVSKKYYIMLYGD-IBGZPJMESA-N 1 1 335.451 3.845 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000858511639 1136975268 /nfs/dbraw/zinc/97/52/68/1136975268.db2.gz HREXERGKDKKIFJ-QGZVFWFLSA-N 1 1 341.499 3.607 20 30 EHEDMO C#CCCCOc1cccnc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000820604767 1136999733 /nfs/dbraw/zinc/99/97/33/1136999733.db2.gz LMSKOWAPBVHZGL-LJQANCHMSA-N 1 1 335.451 3.560 20 30 EHEDMO C#CCCOC(=O)Oc1cccc(C[N@H+]2CCc3ccccc3C2)c1 ZINC000859206732 1137007714 /nfs/dbraw/zinc/00/77/14/1137007714.db2.gz YIIBBHBNXBZGAH-UHFFFAOYSA-N 1 1 335.403 3.784 20 30 EHEDMO C=CCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000859603591 1137022143 /nfs/dbraw/zinc/02/21/43/1137022143.db2.gz APNHDGXQTGYDIS-OLZOCXBDSA-N 1 1 336.398 3.588 20 30 EHEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000821483028 1137029541 /nfs/dbraw/zinc/02/95/41/1137029541.db2.gz ZZLXCZHPHWTSGA-ZDUSSCGKSA-N 1 1 348.516 3.723 20 30 EHEDMO C[C@H](C#N)OCC[N@H+]1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000859960123 1137038777 /nfs/dbraw/zinc/03/87/77/1137038777.db2.gz ARRZQRKATPGXKO-NFAWXSAZSA-N 1 1 337.261 3.556 20 30 EHEDMO N#CCCC[C@@H]([NH3+])c1nc(C2(c3ccccc3F)CCCC2)no1 ZINC000823185151 1137088922 /nfs/dbraw/zinc/08/89/22/1137088922.db2.gz NTSWUWMZCNJLCF-OAHLLOKOSA-N 1 1 328.391 3.762 20 30 EHEDMO C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000266034695 1137134503 /nfs/dbraw/zinc/13/45/03/1137134503.db2.gz UBHHDNAZCBKENY-MGPUTAFESA-N 1 1 340.398 3.690 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000266034695 1137134504 /nfs/dbraw/zinc/13/45/04/1137134504.db2.gz UBHHDNAZCBKENY-MGPUTAFESA-N 1 1 340.398 3.690 20 30 EHEDMO CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c(C)c1 ZINC000824951017 1137159045 /nfs/dbraw/zinc/15/90/45/1137159045.db2.gz ZUUXYGAYNMPQLD-NRFANRHFSA-N 1 1 336.435 3.839 20 30 EHEDMO CCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c(C)c1 ZINC000824951017 1137159046 /nfs/dbraw/zinc/15/90/46/1137159046.db2.gz ZUUXYGAYNMPQLD-NRFANRHFSA-N 1 1 336.435 3.839 20 30 EHEDMO Cc1ccccc1[C@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC[NH2+]1 ZINC000825163560 1137168531 /nfs/dbraw/zinc/16/85/31/1137168531.db2.gz ZPCYMAZIEHGBQX-HXUWFJFHSA-N 1 1 347.462 3.583 20 30 EHEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(F)c(F)c(C(F)F)c1 ZINC001171075275 1137168926 /nfs/dbraw/zinc/16/89/26/1137168926.db2.gz SRFHVCPKPVPOLN-ZDUSSCGKSA-N 1 1 348.340 3.541 20 30 EHEDMO CC(C)(C)OC(=O)Nc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ccn1 ZINC001143693414 1137189655 /nfs/dbraw/zinc/18/96/55/1137189655.db2.gz MUKDWMHGSGCBMJ-AWEZNQCLSA-N 1 1 330.432 3.554 20 30 EHEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)CC1CCC(C(F)(F)F)CC1 ZINC000844370413 1137213236 /nfs/dbraw/zinc/21/32/36/1137213236.db2.gz HCBOUMDLLAMQIT-IMRCBTMISA-N 1 1 340.389 3.892 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)c1 ZINC000844370634 1137213265 /nfs/dbraw/zinc/21/32/65/1137213265.db2.gz IHSQRMZVDFJYCL-IBGZPJMESA-N 1 1 326.827 3.695 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000844370641 1137213295 /nfs/dbraw/zinc/21/32/95/1137213295.db2.gz IIGAGWVWIFLPIW-LJQANCHMSA-N 1 1 326.827 3.695 20 30 EHEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@H]1CCc2c1cccc2Cl ZINC000844367748 1137215822 /nfs/dbraw/zinc/21/58/22/1137215822.db2.gz VFBWEHTYXCCJCM-OALUTQOASA-N 1 1 326.827 3.864 20 30 EHEDMO C=CC[C@@H](C)C(=O)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001144018212 1137229259 /nfs/dbraw/zinc/22/92/59/1137229259.db2.gz QLLRKRIHWCMHRT-CQSZACIVSA-N 1 1 335.407 3.732 20 30 EHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](C2CCC2)C1 ZINC001171157226 1137268533 /nfs/dbraw/zinc/26/85/33/1137268533.db2.gz TVXLYHJGCXQMOU-IUODEOHRSA-N 1 1 331.847 3.661 20 30 EHEDMO CCOc1ccc(O)c(/C=N\C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000794833658 1137271850 /nfs/dbraw/zinc/27/18/50/1137271850.db2.gz OTNNFWIDZAGIHZ-GFHXCNCHSA-N 1 1 338.451 3.732 20 30 EHEDMO CCCC[C@@](CC)([NH2+][C@H](C)Cc1cccc(C#N)c1)C(=O)OCC ZINC001171192552 1137299341 /nfs/dbraw/zinc/29/93/41/1137299341.db2.gz OIANMEXOJQOYHC-OXQOHEQNSA-N 1 1 330.472 3.981 20 30 EHEDMO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)CCCCOc1cccc(C#N)c1 ZINC000845741109 1137307914 /nfs/dbraw/zinc/30/79/14/1137307914.db2.gz RJCUSOUVZMHXMU-QGZVFWFLSA-N 1 1 344.455 3.523 20 30 EHEDMO C#Cc1ccc(C[N@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)cc1 ZINC001144568615 1137311256 /nfs/dbraw/zinc/31/12/56/1137311256.db2.gz ABTJIUUFDKPHNM-GOTSBHOMSA-N 1 1 346.474 3.675 20 30 EHEDMO CCCCOc1ccccc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846007518 1137325461 /nfs/dbraw/zinc/32/54/61/1137325461.db2.gz OWTSPWLCIDGIBT-HXUWFJFHSA-N 1 1 338.451 3.903 20 30 EHEDMO C[C@H]([NH2+][C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cccc(C#N)c1O ZINC000866250178 1137339147 /nfs/dbraw/zinc/33/91/47/1137339147.db2.gz VVNGUKDQELIMKG-MJXNMMHHSA-N 1 1 340.398 3.974 20 30 EHEDMO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)CCO2 ZINC000866341268 1137347260 /nfs/dbraw/zinc/34/72/60/1137347260.db2.gz LVPGQPDSTUIRRV-FZKQIMNGSA-N 1 1 338.407 3.837 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001171225080 1137350698 /nfs/dbraw/zinc/35/06/98/1137350698.db2.gz XOHWWPCKFMOCIF-YFXJRYMSSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001171225080 1137350699 /nfs/dbraw/zinc/35/06/99/1137350699.db2.gz XOHWWPCKFMOCIF-YFXJRYMSSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001171225080 1137350701 /nfs/dbraw/zinc/35/07/01/1137350701.db2.gz XOHWWPCKFMOCIF-YFXJRYMSSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001171230698 1137354935 /nfs/dbraw/zinc/35/49/35/1137354935.db2.gz XOHWWPCKFMOCIF-NMNUPHIUSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001171230698 1137354937 /nfs/dbraw/zinc/35/49/37/1137354937.db2.gz XOHWWPCKFMOCIF-NMNUPHIUSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001171230698 1137354939 /nfs/dbraw/zinc/35/49/39/1137354939.db2.gz XOHWWPCKFMOCIF-NMNUPHIUSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cc2ccccc2s1 ZINC000348188705 1137452107 /nfs/dbraw/zinc/45/21/07/1137452107.db2.gz UISUZFCJXXFPRZ-KPZWWZAWSA-N 1 1 335.432 3.650 20 30 EHEDMO C#CCOc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000773078160 1137463629 /nfs/dbraw/zinc/46/36/29/1137463629.db2.gz VFEPCLQUQXJLOH-RTBURBONSA-N 1 1 328.500 3.717 20 30 EHEDMO C#CCOc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000773078160 1137463631 /nfs/dbraw/zinc/46/36/31/1137463631.db2.gz VFEPCLQUQXJLOH-RTBURBONSA-N 1 1 328.500 3.717 20 30 EHEDMO N#Cc1ccc(O[C@H]2CCC[N@H+]([C@@H]3Cc4cccc(F)c4C3)C2)cc1 ZINC001171809970 1137514133 /nfs/dbraw/zinc/51/41/33/1137514133.db2.gz NTRDRFMJASEZNC-MJGOQNOKSA-N 1 1 336.410 3.708 20 30 EHEDMO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H](C#N)CC1)C2 ZINC001172101568 1137536093 /nfs/dbraw/zinc/53/60/93/1137536093.db2.gz HPGAYSKEUATFKA-WNRNVDISSA-N 1 1 347.503 3.933 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1cncc(Br)c1 ZINC001172306738 1137545637 /nfs/dbraw/zinc/54/56/37/1137545637.db2.gz YJFKSYKMNNQXID-ZDUSSCGKSA-N 1 1 344.256 3.779 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1CC(=O)OC(C)(C)C ZINC001172309654 1137545896 /nfs/dbraw/zinc/54/58/96/1137545896.db2.gz AZRXJUCZVIQKST-MAUKXSAKSA-N 1 1 328.456 3.685 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001172313024 1137546164 /nfs/dbraw/zinc/54/61/64/1137546164.db2.gz NQYGXUIAPQFQLC-NMNUPHIUSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001172313024 1137546165 /nfs/dbraw/zinc/54/61/65/1137546165.db2.gz NQYGXUIAPQFQLC-NMNUPHIUSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001172313024 1137546166 /nfs/dbraw/zinc/54/61/66/1137546166.db2.gz NQYGXUIAPQFQLC-NMNUPHIUSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001172311521 1137546419 /nfs/dbraw/zinc/54/64/19/1137546419.db2.gz SWCBIPYURNRWSI-IIBYNOLFSA-N 1 1 338.426 3.876 20 30 EHEDMO CCCC[C@](CC)([NH2+][C@@H](C)Cc1ccc(C#N)cc1)C(=O)OCC ZINC001172297415 1137548764 /nfs/dbraw/zinc/54/87/64/1137548764.db2.gz PIAXUXLVQUVOBA-JXFKEZNVSA-N 1 1 330.472 3.981 20 30 EHEDMO CC[C@H](C)OCC[C@@H](C)[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001172352307 1137553707 /nfs/dbraw/zinc/55/37/07/1137553707.db2.gz GOBXGHWCYJODEP-AOIWGVFYSA-N 1 1 330.472 3.995 20 30 EHEDMO CCCCCCC[C@@H](CC)[NH+]1CC2(C1)[C@H](CF)CCS2(=O)=O ZINC001172354887 1137554157 /nfs/dbraw/zinc/55/41/57/1137554157.db2.gz LHKCKRGVNNIZRZ-JKSUJKDBSA-N 1 1 333.513 3.584 20 30 EHEDMO CCCCCCC[C@H](CC)[N@H+]1CCO[C@@]2(CCCN(C(C)=O)C2)C1 ZINC001172355063 1137554346 /nfs/dbraw/zinc/55/43/46/1137554346.db2.gz MEQGHOLHNVPINV-VQTJNVASSA-N 1 1 338.536 3.839 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000872259875 1137576725 /nfs/dbraw/zinc/57/67/25/1137576725.db2.gz BZWXMCLPKAWYSZ-NRFANRHFSA-N 1 1 341.499 3.960 20 30 EHEDMO C=C(C)COc1cc(C[NH2+][C@@H](C)c2nccnc2C)ccc1OC ZINC000873189895 1137593259 /nfs/dbraw/zinc/59/32/59/1137593259.db2.gz SXHNNOXURGRWKY-HNNXBMFYSA-N 1 1 327.428 3.599 20 30 EHEDMO C#CCCCCCC[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000876559022 1137655602 /nfs/dbraw/zinc/65/56/02/1137655602.db2.gz UOKCFUGAORVLNQ-GOSISDBHSA-N 1 1 328.504 3.768 20 30 EHEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc(C#N)ccc2N(C)C)s1 ZINC000876715141 1137659530 /nfs/dbraw/zinc/65/95/30/1137659530.db2.gz JMNQBMJDSBQNNJ-CYBMUJFWSA-N 1 1 328.485 3.891 20 30 EHEDMO C[N@H+](Cc1cc(C#N)cnc1Cl)[C@H]1CCCN(c2ccccc2)C1 ZINC000876750600 1137660466 /nfs/dbraw/zinc/66/04/66/1137660466.db2.gz WZQQNEXAXABMSJ-SFHVURJKSA-N 1 1 340.858 3.707 20 30 EHEDMO C[N@@H+](Cc1cc(C#N)cnc1Cl)[C@H]1CCCN(c2ccccc2)C1 ZINC000876750600 1137660467 /nfs/dbraw/zinc/66/04/67/1137660467.db2.gz WZQQNEXAXABMSJ-SFHVURJKSA-N 1 1 340.858 3.707 20 30 EHEDMO CCN(CC)c1ccc(C[NH2+]Cc2cc(C#N)cnc2Cl)cc1F ZINC000877027508 1137668044 /nfs/dbraw/zinc/66/80/44/1137668044.db2.gz OZTLTQFFMSSHHI-UHFFFAOYSA-N 1 1 346.837 3.882 20 30 EHEDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2N(C)C)o1 ZINC000877396362 1137675242 /nfs/dbraw/zinc/67/52/42/1137675242.db2.gz WAGYGOUHDBEQBI-IBGZPJMESA-N 1 1 339.439 3.701 20 30 EHEDMO Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1cc(C#N)cnc1Cl)N(C)C ZINC000877464903 1137677150 /nfs/dbraw/zinc/67/71/50/1137677150.db2.gz OSHAZFNGWSRGQT-KBXCAEBGSA-N 1 1 342.874 3.696 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000877609663 1137682786 /nfs/dbraw/zinc/68/27/86/1137682786.db2.gz MWXUADJYIVXIDE-GJYPPUQNSA-N 1 1 335.492 3.553 20 30 EHEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC000877623562 1137683278 /nfs/dbraw/zinc/68/32/78/1137683278.db2.gz SVJVDZOJYVLYMF-OAQYLSRUSA-N 1 1 328.419 3.687 20 30 EHEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000877623562 1137683279 /nfs/dbraw/zinc/68/32/79/1137683279.db2.gz SVJVDZOJYVLYMF-OAQYLSRUSA-N 1 1 328.419 3.687 20 30 EHEDMO Cc1csc([C@H]2CC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)n1 ZINC000877813321 1137691167 /nfs/dbraw/zinc/69/11/67/1137691167.db2.gz KZGDAONXLXTETN-ZBFHGGJFSA-N 1 1 327.453 3.732 20 30 EHEDMO COC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000877818854 1137691426 /nfs/dbraw/zinc/69/14/26/1137691426.db2.gz QNDQHBDWVNOMBQ-INIZCTEOSA-N 1 1 328.456 3.653 20 30 EHEDMO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000877917565 1137695530 /nfs/dbraw/zinc/69/55/30/1137695530.db2.gz XYIHJKZFMJRRDZ-CQSZACIVSA-N 1 1 341.842 3.979 20 30 EHEDMO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000877917565 1137695531 /nfs/dbraw/zinc/69/55/31/1137695531.db2.gz XYIHJKZFMJRRDZ-CQSZACIVSA-N 1 1 341.842 3.979 20 30 EHEDMO CC[N@@H+](C[C@@H]1CCC2(CCOCC2)O1)[C@H](C)c1ccc(C#N)cc1 ZINC000877991241 1137698650 /nfs/dbraw/zinc/69/86/50/1137698650.db2.gz NONSYUWEXOJYJZ-APWZRJJASA-N 1 1 328.456 3.669 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)C[C@@H]2CCC[C@@H](c3ccccc3)O2)n1 ZINC000878528202 1137718889 /nfs/dbraw/zinc/71/88/89/1137718889.db2.gz PMYHFFXGTLSCEV-SFTDATJTSA-N 1 1 337.467 3.649 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2CCC[C@@H](c3ccccc3)O2)n1 ZINC000878528202 1137718890 /nfs/dbraw/zinc/71/88/90/1137718890.db2.gz PMYHFFXGTLSCEV-SFTDATJTSA-N 1 1 337.467 3.649 20 30 EHEDMO N#CCCC[C@@H]([NH2+]Cc1nnc(-c2cccc(O)c2)o1)c1ccccc1 ZINC000878649188 1137723762 /nfs/dbraw/zinc/72/37/62/1137723762.db2.gz XFBYGTXUBYWEPW-GOSISDBHSA-N 1 1 348.406 3.967 20 30 EHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccccc1OC(C)C)C2 ZINC001137138333 1137729761 /nfs/dbraw/zinc/72/97/61/1137729761.db2.gz XLYFITWALAZKCK-PZJWPPBQSA-N 1 1 345.483 3.800 20 30 EHEDMO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+](C)CCc1cccc(C#N)c1 ZINC000879433772 1137747541 /nfs/dbraw/zinc/74/75/41/1137747541.db2.gz FIALMMGUUATNIW-INIZCTEOSA-N 1 1 346.434 3.768 20 30 EHEDMO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879433772 1137747542 /nfs/dbraw/zinc/74/75/42/1137747542.db2.gz FIALMMGUUATNIW-INIZCTEOSA-N 1 1 346.434 3.768 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2CCC(C)(C)C#N)C1 ZINC000879700161 1137755689 /nfs/dbraw/zinc/75/56/89/1137755689.db2.gz FTJMLCPNYBJABI-JKSUJKDBSA-N 1 1 335.492 3.648 20 30 EHEDMO Cc1csc([C@H]2CC[N@@H+](CCCOc3cccc(C#N)c3)C2)n1 ZINC000880006969 1137764796 /nfs/dbraw/zinc/76/47/96/1137764796.db2.gz ANJUJTGCBQBDGB-INIZCTEOSA-N 1 1 327.453 3.582 20 30 EHEDMO C=CCCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC000880024448 1137765870 /nfs/dbraw/zinc/76/58/70/1137765870.db2.gz JKMBJMSADSWZPN-QWHCGFSZSA-N 1 1 336.398 3.588 20 30 EHEDMO COc1ccccc1[C@@H]1CSCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000880177836 1137770016 /nfs/dbraw/zinc/77/00/16/1137770016.db2.gz ZCEYSVOLNCTFDV-KRWDZBQOSA-N 1 1 328.437 3.840 20 30 EHEDMO COc1ccccc1[C@@H]1CSCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000880177836 1137770017 /nfs/dbraw/zinc/77/00/17/1137770017.db2.gz ZCEYSVOLNCTFDV-KRWDZBQOSA-N 1 1 328.437 3.840 20 30 EHEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccc3cccnc31)C2 ZINC001137176167 1137824988 /nfs/dbraw/zinc/82/49/88/1137824988.db2.gz UFVUCEONJOINRS-TZIWHRDSSA-N 1 1 338.451 3.561 20 30 EHEDMO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2nc(C(C)C)c[nH]2)ccc1OC ZINC000882995959 1137840790 /nfs/dbraw/zinc/84/07/90/1137840790.db2.gz ULVFCYGOHNZGBW-OAHLLOKOSA-N 1 1 342.443 3.512 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000131043415 1137845522 /nfs/dbraw/zinc/84/55/22/1137845522.db2.gz YYWQWRSSYPGNCV-UHFFFAOYSA-N 1 1 343.434 3.771 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000131209657 1137848350 /nfs/dbraw/zinc/84/83/50/1137848350.db2.gz XHRWOWZSNIBTSS-SFHVURJKSA-N 1 1 337.471 3.841 20 30 EHEDMO C=CCCC[C@H]([NH2+]Cc1cn(Cc2cccnc2)nn1)c1ccccc1 ZINC000883324983 1137854931 /nfs/dbraw/zinc/85/49/31/1137854931.db2.gz KYIGNYSWSAKIOT-NRFANRHFSA-N 1 1 347.466 3.909 20 30 EHEDMO C=CCCC[C@H](NC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)c1ccccc1 ZINC000883858454 1137875534 /nfs/dbraw/zinc/87/55/34/1137875534.db2.gz LKTJVIQIFPBMQY-HSALFYBXSA-N 1 1 341.499 3.820 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1Cl ZINC000103468924 1137876532 /nfs/dbraw/zinc/87/65/32/1137876532.db2.gz QTKDTLRYFKFOSH-KRWDZBQOSA-N 1 1 342.830 3.705 20 30 EHEDMO C=CCNC(=O)N1CCC2(CCC[N@H+](Cc3ccc(C)cc3)C2)CC1 ZINC001202565959 1137876666 /nfs/dbraw/zinc/87/66/66/1137876666.db2.gz YVZNZDZJHBGYLU-UHFFFAOYSA-N 1 1 341.499 3.569 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCCCCC1 ZINC000108355451 1137889312 /nfs/dbraw/zinc/88/93/12/1137889312.db2.gz XRXIEBYADKSBPT-OAHLLOKOSA-N 1 1 331.485 3.895 20 30 EHEDMO CCc1nc([C@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)cs1 ZINC000111407388 1137904515 /nfs/dbraw/zinc/90/45/15/1137904515.db2.gz HYLNWABMZALGCR-AWEZNQCLSA-N 1 1 328.485 3.906 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000118396538 1137933626 /nfs/dbraw/zinc/93/36/26/1137933626.db2.gz KFBJTVCESCFKDT-QGZVFWFLSA-N 1 1 349.434 3.826 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c(F)c1 ZINC000134785937 1137960674 /nfs/dbraw/zinc/96/06/74/1137960674.db2.gz ANRFLISJPUBPRT-UYAOXDASSA-N 1 1 342.389 3.925 20 30 EHEDMO C#CC[C@@H]1CC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000886353939 1138070087 /nfs/dbraw/zinc/07/00/87/1138070087.db2.gz SPZUTJFSHUVETH-CQSZACIVSA-N 1 1 330.428 3.706 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000886353939 1138070088 /nfs/dbraw/zinc/07/00/88/1138070088.db2.gz SPZUTJFSHUVETH-CQSZACIVSA-N 1 1 330.428 3.706 20 30 EHEDMO C#CC[C@H]1CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000886361495 1138070906 /nfs/dbraw/zinc/07/09/06/1138070906.db2.gz JOZDGUASWRJJBW-LBPRGKRZSA-N 1 1 325.239 3.667 20 30 EHEDMO C#CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000886359904 1138070923 /nfs/dbraw/zinc/07/09/23/1138070923.db2.gz LSPXSAHACXBMHQ-NSHDSACASA-N 1 1 344.764 3.643 20 30 EHEDMO C#CCCCCNC(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000137885107 1138073663 /nfs/dbraw/zinc/07/36/63/1138073663.db2.gz QPDAIUNPZSAYJA-ICSRJNTNSA-N 1 1 341.499 3.657 20 30 EHEDMO C=CCCC[C@H](COc1ccccc1)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000886612445 1138101995 /nfs/dbraw/zinc/10/19/95/1138101995.db2.gz LKEQVJQBRQWHAP-DLBZAZTESA-N 1 1 325.456 3.661 20 30 EHEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc(OCc2nccn2C)cc1 ZINC000072691470 1138107140 /nfs/dbraw/zinc/10/71/40/1138107140.db2.gz FKUNDFOTHYWLSL-UHFFFAOYSA-N 1 1 340.471 3.761 20 30 EHEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc(OCc2nccn2C)cc1 ZINC000072691470 1138107141 /nfs/dbraw/zinc/10/71/41/1138107141.db2.gz FKUNDFOTHYWLSL-UHFFFAOYSA-N 1 1 340.471 3.761 20 30 EHEDMO CCSCC[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000072900288 1138108908 /nfs/dbraw/zinc/10/89/08/1138108908.db2.gz GCONRUMDNJXDGE-GFCCVEGCSA-N 1 1 339.892 3.614 20 30 EHEDMO CC[N@H+](Cc1cccc(C#N)c1)CC1CCN(c2ccccn2)CC1 ZINC000076108504 1138129579 /nfs/dbraw/zinc/12/95/79/1138129579.db2.gz WIBQFQIYKKBRIU-UHFFFAOYSA-N 1 1 334.467 3.692 20 30 EHEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](CCCSCC#N)CC3)c2c1 ZINC000080722710 1138164451 /nfs/dbraw/zinc/16/44/51/1138164451.db2.gz YQAJRJZZNAUREX-UHFFFAOYSA-N 1 1 341.480 3.912 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC000886890696 1138166852 /nfs/dbraw/zinc/16/68/52/1138166852.db2.gz PYJNLVGWBVMAIT-ZWOKBUDYSA-N 1 1 347.503 3.792 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2CC2(O)CCCCC2)cc1 ZINC000887036803 1138188203 /nfs/dbraw/zinc/18/82/03/1138188203.db2.gz NTOMALNSQGECTJ-WOJBJXKFSA-N 1 1 342.483 3.531 20 30 EHEDMO COc1cc(F)c([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1OC ZINC000090117383 1138209401 /nfs/dbraw/zinc/20/94/01/1138209401.db2.gz IVXIPNNTYLUZRO-LLVKDONJSA-N 1 1 332.350 3.704 20 30 EHEDMO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000090665209 1138212422 /nfs/dbraw/zinc/21/24/22/1138212422.db2.gz BZBCUSCEBDEZNF-KXBFYZLASA-N 1 1 342.464 3.786 20 30 EHEDMO CN(CCC#N)C(=O)CC[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000092798049 1138232137 /nfs/dbraw/zinc/23/21/37/1138232137.db2.gz XBLMMIALAWNIPR-NRFANRHFSA-N 1 1 347.462 3.548 20 30 EHEDMO COc1ccc(C[N@@H+]2CCOC[C@@H]2CC(C)C)cc1OCCCC#N ZINC000093340302 1138236274 /nfs/dbraw/zinc/23/62/74/1138236274.db2.gz MBBRWYDHEDYJHB-SFHVURJKSA-N 1 1 346.471 3.625 20 30 EHEDMO COc1ccc(C[N@H+]2CCOC[C@@H]2CC(C)C)cc1OCCCC#N ZINC000093340302 1138236276 /nfs/dbraw/zinc/23/62/76/1138236276.db2.gz MBBRWYDHEDYJHB-SFHVURJKSA-N 1 1 346.471 3.625 20 30 EHEDMO COc1ccc(C[N@H+]2CCC[C@@H]2CSC)cc1OCCCC#N ZINC000093761482 1138240980 /nfs/dbraw/zinc/24/09/80/1138240980.db2.gz IABRURFNVICGTR-MRXNPFEDSA-N 1 1 334.485 3.705 20 30 EHEDMO CC1(C)CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000127010321 1138344673 /nfs/dbraw/zinc/34/46/73/1138344673.db2.gz IMZOBAHOHLBVAX-UHFFFAOYSA-N 1 1 331.485 3.753 20 30 EHEDMO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3C)C2)c(C#N)c1C ZINC000263757841 1138358236 /nfs/dbraw/zinc/35/82/36/1138358236.db2.gz UGPCZYHNMGAOCR-MRXNPFEDSA-N 1 1 337.423 3.505 20 30 EHEDMO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3C)C2)c(C#N)c1C ZINC000263757841 1138358239 /nfs/dbraw/zinc/35/82/39/1138358239.db2.gz UGPCZYHNMGAOCR-MRXNPFEDSA-N 1 1 337.423 3.505 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000337362368 1138544986 /nfs/dbraw/zinc/54/49/86/1138544986.db2.gz IZAYUUGZKABYCX-MRXNPFEDSA-N 1 1 328.431 3.504 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134917836 1138712774 /nfs/dbraw/zinc/71/27/74/1138712774.db2.gz KXQACTLRRDQESH-WIYYLYMNSA-N 1 1 337.511 3.936 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134917836 1138712777 /nfs/dbraw/zinc/71/27/77/1138712777.db2.gz KXQACTLRRDQESH-WIYYLYMNSA-N 1 1 337.511 3.936 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134917836 1138712781 /nfs/dbraw/zinc/71/27/81/1138712781.db2.gz KXQACTLRRDQESH-WIYYLYMNSA-N 1 1 337.511 3.936 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134917836 1138712784 /nfs/dbraw/zinc/71/27/84/1138712784.db2.gz KXQACTLRRDQESH-WIYYLYMNSA-N 1 1 337.511 3.936 20 30 EHEDMO CC(C)[N@H+]1CCC[C@H](CNc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000265165751 1138752427 /nfs/dbraw/zinc/75/24/27/1138752427.db2.gz GBMUXDUSXXEZPB-GFCCVEGCSA-N 1 1 326.366 3.504 20 30 EHEDMO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)nc1C ZINC000348490767 1138938143 /nfs/dbraw/zinc/93/81/43/1138938143.db2.gz JAUQYHIFCBLSRE-CYBMUJFWSA-N 1 1 343.452 3.545 20 30 EHEDMO COc1ccc(C[NH2+][C@H](COCC(C)C)c2ccco2)cc1C#N ZINC000174328676 1139414547 /nfs/dbraw/zinc/41/45/47/1139414547.db2.gz BCBOBXHOHLDEEW-QGZVFWFLSA-N 1 1 328.412 3.663 20 30 EHEDMO C=C[C@H](CC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000179523074 1139762816 /nfs/dbraw/zinc/76/28/16/1139762816.db2.gz RWXLUMHPAKXRFO-GOSISDBHSA-N 1 1 326.484 3.823 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179518927 1139763132 /nfs/dbraw/zinc/76/31/32/1139763132.db2.gz KLDHBLUYOPHBAZ-QGZVFWFLSA-N 1 1 349.482 3.863 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179518927 1139763137 /nfs/dbraw/zinc/76/31/37/1139763137.db2.gz KLDHBLUYOPHBAZ-QGZVFWFLSA-N 1 1 349.482 3.863 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179518927 1139763144 /nfs/dbraw/zinc/76/31/44/1139763144.db2.gz KLDHBLUYOPHBAZ-QGZVFWFLSA-N 1 1 349.482 3.863 20 30 EHEDMO C[C@H]1C[NH+](Cc2ccccc2N[C@@H]2CCC[C@H](C#N)C2)C[C@H](C)O1 ZINC000185739041 1140167146 /nfs/dbraw/zinc/16/71/46/1140167146.db2.gz OAYUFMTWZXKODS-LSTDLKDCSA-N 1 1 327.472 3.790 20 30 EHEDMO C#CCC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000185860725 1140174359 /nfs/dbraw/zinc/17/43/59/1140174359.db2.gz NNZVDFIDLQKILL-PKOBYXMFSA-N 1 1 326.484 3.547 20 30 EHEDMO N#CC(CC[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2)(c1ccccc1)c1ccccc1 ZINC000193053634 1140562332 /nfs/dbraw/zinc/56/23/32/1140562332.db2.gz DFICAVRLNUHAFY-CBQGHPETSA-N 1 1 346.474 3.874 20 30 EHEDMO C[C@H](O)[C@@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193095172 1140563368 /nfs/dbraw/zinc/56/33/68/1140563368.db2.gz HPKANSBZCKYECY-RBUKOAKNSA-N 1 1 334.463 3.589 20 30 EHEDMO C#Cc1cccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000266317999 1140667586 /nfs/dbraw/zinc/66/75/86/1140667586.db2.gz BQTRQCFMAGSKKN-FQEVSTJZSA-N 1 1 347.462 3.654 20 30 EHEDMO CCCCCC#CC(=O)N1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001274439766 1140981481 /nfs/dbraw/zinc/98/14/81/1140981481.db2.gz WHGPHCQKGSZZMW-KDURUIRLSA-N 1 1 330.516 3.683 20 30 EHEDMO C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268917395 1141024975 /nfs/dbraw/zinc/02/49/75/1141024975.db2.gz VMWZFXFQKGFNBT-DENIHFKCSA-N 1 1 341.543 3.670 20 30 EHEDMO C[C@H](c1cccc(NCc2ccc(C#N)s2)c1)[NH+]1CCOCC1 ZINC000269313889 1141091464 /nfs/dbraw/zinc/09/14/64/1141091464.db2.gz KZRYOFYNKXFQHB-CQSZACIVSA-N 1 1 327.453 3.625 20 30 EHEDMO C[N@H+]1CC[C@@H](CNc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270707873 1141259803 /nfs/dbraw/zinc/25/98/03/1141259803.db2.gz KEBBWBPEQRRBSJ-KSSFIOAISA-N 1 1 344.821 3.851 20 30 EHEDMO COc1ccc(C[N@@H+](C)[C@@H](C)CCSC)cc1OCCCC#N ZINC000271215421 1141326504 /nfs/dbraw/zinc/32/65/04/1141326504.db2.gz WPSJDIZUVSOYHY-HNNXBMFYSA-N 1 1 336.501 3.951 20 30 EHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc2c(c1)CCO2 ZINC000348864533 1141598502 /nfs/dbraw/zinc/59/85/02/1141598502.db2.gz BVRWQPQTVGCYON-UHFFFAOYSA-N 1 1 325.456 3.977 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000348871319 1141601233 /nfs/dbraw/zinc/60/12/33/1141601233.db2.gz WIFKATLSPBZNEH-MRXNPFEDSA-N 1 1 329.362 3.531 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000067320537 215132203 /nfs/dbraw/zinc/13/22/03/215132203.db2.gz KSIXFGFRTRSICG-KRWDZBQOSA-N 1 1 343.427 3.659 20 30 EHEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(Br)cc1Cl ZINC000073141674 216354939 /nfs/dbraw/zinc/35/49/39/216354939.db2.gz AQIOAEAEPHCEBR-UHFFFAOYSA-N 1 1 345.668 3.939 20 30 EHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(Br)cc1Cl ZINC000073141674 216354942 /nfs/dbraw/zinc/35/49/42/216354942.db2.gz AQIOAEAEPHCEBR-UHFFFAOYSA-N 1 1 345.668 3.939 20 30 EHEDMO C=CC[N@H+](CCCCC(F)(F)F)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903475 607738427 /nfs/dbraw/zinc/73/84/27/607738427.db2.gz BRDFAUBOCHTTBG-UHFFFAOYSA-N 1 1 339.365 3.587 20 30 EHEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1c(C#N)c(Cl)nc2cccc(Cl)c21 ZINC001164631351 719258762 /nfs/dbraw/zinc/25/87/62/719258762.db2.gz DECPPXMKOAYKMF-WDEREUQCSA-N 1 1 349.265 3.942 20 30 EHEDMO C[C@@H]1CN(c2c(C#N)c(Cl)nc3cccc(Cl)c32)[C@@H](C)C[N@H+]1C ZINC001164631349 719258916 /nfs/dbraw/zinc/25/89/16/719258916.db2.gz DECPPXMKOAYKMF-MNOVXSKESA-N 1 1 349.265 3.942 20 30 EHEDMO C=CCc1cc(C[N@H+]2CC=C(C(F)(F)F)CC2)cc(OC)c1O ZINC000536661041 1032078709 /nfs/dbraw/zinc/07/87/09/1032078709.db2.gz MCTIKRACSVVGNI-UHFFFAOYSA-N 1 1 327.346 3.824 20 30 EHEDMO C=CCc1cc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc(OC)c1O ZINC000536661041 1032078717 /nfs/dbraw/zinc/07/87/17/1032078717.db2.gz MCTIKRACSVVGNI-UHFFFAOYSA-N 1 1 327.346 3.824 20 30 EHEDMO C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000459412462 1032084055 /nfs/dbraw/zinc/08/40/55/1032084055.db2.gz VUSSKVVYYDKRIR-NQCMUKECSA-N 1 1 337.379 3.509 20 30 EHEDMO C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654727089 1014256261 /nfs/dbraw/zinc/25/62/61/1014256261.db2.gz FSXKBIMGIYMOFR-MOPGFXCFSA-N 1 1 345.462 3.540 20 30 EHEDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000577669975 1014453702 /nfs/dbraw/zinc/45/37/02/1014453702.db2.gz TUKDQYVAPYEQKL-MRXNPFEDSA-N 1 1 326.362 3.704 20 30 EHEDMO Cc1cc2cc(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)oc2cc1C ZINC000430166520 1014528646 /nfs/dbraw/zinc/52/86/46/1014528646.db2.gz RBIHKLCPEYITBF-SFHVURJKSA-N 1 1 347.418 3.970 20 30 EHEDMO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000538021195 1032106275 /nfs/dbraw/zinc/10/62/75/1032106275.db2.gz OLDCYKPTEXGTHU-VXGBXAGGSA-N 1 1 349.276 3.925 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2ccccc2Br)no1 ZINC000904539034 1032108830 /nfs/dbraw/zinc/10/88/30/1032108830.db2.gz SSCLOBPPNAPSLK-ZDUSSCGKSA-N 1 1 336.233 3.779 20 30 EHEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1nccs1)c1ccc(F)c(F)c1 ZINC000187789774 1015489789 /nfs/dbraw/zinc/48/97/89/1015489789.db2.gz CDIGZKWIMIZQHT-HZMBPMFUSA-N 1 1 337.395 3.655 20 30 EHEDMO C=C[C@](C)(CC)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000188072618 1015638760 /nfs/dbraw/zinc/63/87/60/1015638760.db2.gz WXMUYDOOKSLJSF-OAQYLSRUSA-N 1 1 328.500 3.959 20 30 EHEDMO C[C@H]1SCC[N@H+](Cc2cc(C#N)ccc2Br)[C@H]1C ZINC000191792954 1120695334 /nfs/dbraw/zinc/69/53/34/1120695334.db2.gz DLNDVXHVFCISNO-WDEREUQCSA-N 1 1 325.275 3.647 20 30 EHEDMO C[C@H]1SCC[N@@H+](Cc2cc(C#N)ccc2Br)[C@H]1C ZINC000191792954 1120695339 /nfs/dbraw/zinc/69/53/39/1120695339.db2.gz DLNDVXHVFCISNO-WDEREUQCSA-N 1 1 325.275 3.647 20 30 EHEDMO C=CCC[C@@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000275153020 1016101730 /nfs/dbraw/zinc/10/17/30/1016101730.db2.gz PWVPNBKKADEDLL-QFBILLFUSA-N 1 1 325.456 3.694 20 30 EHEDMO N#Cc1ccc(C[N@H+](CCc2ccccn2)Cc2cccnc2)cc1F ZINC000430308557 1016228367 /nfs/dbraw/zinc/22/83/67/1016228367.db2.gz YBKMRZUDTUNJCQ-UHFFFAOYSA-N 1 1 346.409 3.732 20 30 EHEDMO N#Cc1ccc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)cc1F ZINC000430308557 1016228376 /nfs/dbraw/zinc/22/83/76/1016228376.db2.gz YBKMRZUDTUNJCQ-UHFFFAOYSA-N 1 1 346.409 3.732 20 30 EHEDMO N#Cc1ccc(OCCC[N@H+]2CC[C@H](COc3ccccc3)C2)cc1 ZINC000780365326 1016395388 /nfs/dbraw/zinc/39/53/88/1016395388.db2.gz LKTURYDOHKQEBS-IBGZPJMESA-N 1 1 336.435 3.728 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000247064614 1016396181 /nfs/dbraw/zinc/39/61/81/1016396181.db2.gz UKWJWCSZOMFKNM-SJLPKXTDSA-N 1 1 340.471 3.677 20 30 EHEDMO C=C(C)Cn1c(CC(C)(C)C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460952163 1032149588 /nfs/dbraw/zinc/14/95/88/1032149588.db2.gz AWIBQYUYCQTRHT-IRXDYDNUSA-N 1 1 347.551 3.609 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC000414490042 1016933738 /nfs/dbraw/zinc/93/37/38/1016933738.db2.gz UVOLSBUINRPRHB-AEFFLSMTSA-N 1 1 346.352 3.885 20 30 EHEDMO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC000414490042 1016933751 /nfs/dbraw/zinc/93/37/51/1016933751.db2.gz UVOLSBUINRPRHB-AEFFLSMTSA-N 1 1 346.352 3.885 20 30 EHEDMO COC(=O)c1cccc(C[N@@H+]2CCSC3(CCCCC3)C2)c1C#N ZINC000535963555 1017006915 /nfs/dbraw/zinc/00/69/15/1017006915.db2.gz LJFACUSPKZWHCE-UHFFFAOYSA-N 1 1 344.480 3.597 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2CCSC3(CCCCC3)C2)c1C#N ZINC000535963555 1017006931 /nfs/dbraw/zinc/00/69/31/1017006931.db2.gz LJFACUSPKZWHCE-UHFFFAOYSA-N 1 1 344.480 3.597 20 30 EHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000538150949 1032189350 /nfs/dbraw/zinc/18/93/50/1032189350.db2.gz SURPKQBYNFDGEG-HUUCEWRRSA-N 1 1 334.426 3.854 20 30 EHEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000184092034 1032251969 /nfs/dbraw/zinc/25/19/69/1032251969.db2.gz PEGNBVYGHUUPAV-KRWDZBQOSA-N 1 1 337.423 3.729 20 30 EHEDMO N#Cc1ccc(C2=CC[N@H+]([C@@H]3CCN(C4CCCCC4)C3=O)CC2)cc1 ZINC000528431692 1032269600 /nfs/dbraw/zinc/26/96/00/1032269600.db2.gz QIYZVPDBMYSEGK-OAQYLSRUSA-N 1 1 349.478 3.581 20 30 EHEDMO N#Cc1ccc(C2=CC[N@@H+]([C@@H]3CCN(C4CCCCC4)C3=O)CC2)cc1 ZINC000528431692 1032269611 /nfs/dbraw/zinc/26/96/11/1032269611.db2.gz QIYZVPDBMYSEGK-OAQYLSRUSA-N 1 1 349.478 3.581 20 30 EHEDMO Cc1ccc2oc(N3CC[NH+]([C@@H](C)c4ccc(C#N)cc4)CC3)nc2c1 ZINC000118398044 1032462169 /nfs/dbraw/zinc/46/21/69/1032462169.db2.gz BRUXJZZEVLBGSA-INIZCTEOSA-N 1 1 346.434 3.891 20 30 EHEDMO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000584415586 1032480322 /nfs/dbraw/zinc/48/03/22/1032480322.db2.gz OPALLPRTQBONDI-MRXNPFEDSA-N 1 1 334.529 3.939 20 30 EHEDMO CCC(=O)Nc1ccc(C)c(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000328662701 1017090855 /nfs/dbraw/zinc/09/08/55/1017090855.db2.gz XMKKPZAZRIZPPP-WBVHZDCISA-N 1 1 344.459 3.946 20 30 EHEDMO CCC(C#N)(CC)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000528658069 1032543518 /nfs/dbraw/zinc/54/35/18/1032543518.db2.gz ZRYCZCGOJRQIDU-GOEBONIOSA-N 1 1 333.501 3.577 20 30 EHEDMO C=CCOc1ccccc1C[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449427084 1032543655 /nfs/dbraw/zinc/54/36/55/1032543655.db2.gz RVPZXMWQWYTRRQ-FPOVZHCZSA-N 1 1 341.426 3.551 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+](C)[C@H](CO)c2ccccc2)ccc1OC ZINC000449449726 1032565748 /nfs/dbraw/zinc/56/57/48/1032565748.db2.gz DVMDVGKVUKJVER-LJQANCHMSA-N 1 1 341.451 3.816 20 30 EHEDMO C=CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000537232840 1032571556 /nfs/dbraw/zinc/57/15/56/1032571556.db2.gz RDYWSFCPCPOVIT-WMZOPIPTSA-N 1 1 332.463 3.899 20 30 EHEDMO CCCOc1ccc(C[NH2+]Cc2cccc(F)c2C#N)cc1OC ZINC000602003343 1032588259 /nfs/dbraw/zinc/58/82/59/1032588259.db2.gz IIEPRDYJRONMKQ-UHFFFAOYSA-N 1 1 328.387 3.785 20 30 EHEDMO N#CCc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC000597751217 1032646356 /nfs/dbraw/zinc/64/63/56/1032646356.db2.gz JRUFXASJRNGNPL-HXUWFJFHSA-N 1 1 347.462 3.646 20 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CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccccc1C#N ZINC001270803110 1021541322 /nfs/dbraw/zinc/54/13/22/1021541322.db2.gz GCUJZWOINFMTEL-QRQLOZEOSA-N 1 1 339.483 3.673 20 30 EHEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]3CCC[C@@H]32)ccc1Cl ZINC000426471269 1021658040 /nfs/dbraw/zinc/65/80/40/1021658040.db2.gz VZYVYDXQJCTKTR-YJBOKZPZSA-N 1 1 345.874 3.770 20 30 EHEDMO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000593660257 1033000438 /nfs/dbraw/zinc/00/04/38/1033000438.db2.gz GCGJMQBXQCGAAV-KRWDZBQOSA-N 1 1 346.471 3.767 20 30 EHEDMO CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000593660257 1033000446 /nfs/dbraw/zinc/00/04/46/1033000446.db2.gz GCGJMQBXQCGAAV-KRWDZBQOSA-N 1 1 346.471 3.767 20 30 EHEDMO C[C@](CO)([NH2+]Cc1ccc(C#N)s1)c1cc(Cl)cc(Cl)c1 ZINC000449664579 1033002127 /nfs/dbraw/zinc/00/21/27/1033002127.db2.gz BZJNTOLBYCPNLV-OAHLLOKOSA-N 1 1 341.263 3.924 20 30 EHEDMO C=CCCCC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000439787738 1021731546 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C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(C#N)cc1OC(F)F ZINC000437435066 1021838149 /nfs/dbraw/zinc/83/81/49/1021838149.db2.gz OOYRYKNZZAJWEY-UHFFFAOYSA-N 1 1 346.333 3.520 20 30 EHEDMO N#Cc1ccccc1N1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000337696323 1021879002 /nfs/dbraw/zinc/87/90/02/1021879002.db2.gz YFNSEKWWPYGJNE-UHFFFAOYSA-N 1 1 344.418 3.535 20 30 EHEDMO O=C(C[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)c1cccs1 ZINC000440955410 1021902417 /nfs/dbraw/zinc/90/24/17/1021902417.db2.gz SSJYTJYRVKZRRO-QGZVFWFLSA-N 1 1 327.424 3.976 20 30 EHEDMO O=C(C[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)c1cccs1 ZINC000440955410 1021902424 /nfs/dbraw/zinc/90/24/24/1021902424.db2.gz SSJYTJYRVKZRRO-QGZVFWFLSA-N 1 1 327.424 3.976 20 30 EHEDMO N#Cc1csc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CCC2)c1 ZINC000592520256 1033016308 /nfs/dbraw/zinc/01/63/08/1033016308.db2.gz IKTBZHWWCSLGIA-IBGZPJMESA-N 1 1 326.465 3.783 20 30 EHEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000437569187 1021955578 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C[C@@H](CCC#N)C[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000602612168 1033027237 /nfs/dbraw/zinc/02/72/37/1033027237.db2.gz GXKFTIGQJKHNFD-NSHDSACASA-N 1 1 325.225 3.886 20 30 EHEDMO C[N@@H+](CCC1CC1)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000135287162 1022081660 /nfs/dbraw/zinc/08/16/60/1022081660.db2.gz QVFLFGOXYZEIJA-UHFFFAOYSA-N 1 1 331.485 3.559 20 30 EHEDMO CC[C@H](CC#N)[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000517171585 1022103713 /nfs/dbraw/zinc/10/37/13/1022103713.db2.gz OJZBKFWLSZLHFS-RTBURBONSA-N 1 1 341.499 3.929 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441264677 1022109213 /nfs/dbraw/zinc/10/92/13/1022109213.db2.gz FZUNFPCUYOGYBL-UHFFFAOYSA-N 1 1 344.418 3.839 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441264677 1022109221 /nfs/dbraw/zinc/10/92/21/1022109221.db2.gz FZUNFPCUYOGYBL-UHFFFAOYSA-N 1 1 344.418 3.839 20 30 EHEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000441374674 1022195382 /nfs/dbraw/zinc/19/53/82/1022195382.db2.gz GEMRLYKCLRBEJE-VQTJNVASSA-N 1 1 326.484 3.764 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)c(OC)c1O ZINC000891652004 1022224462 /nfs/dbraw/zinc/22/44/62/1022224462.db2.gz AIVKKFJFGAPWED-UHFFFAOYSA-N 1 1 340.423 3.693 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000438072699 1022355061 /nfs/dbraw/zinc/35/50/61/1022355061.db2.gz JHHGCUZDXMTAKM-KFWWJZLASA-N 1 1 346.500 3.543 20 30 EHEDMO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000438059021 1022357269 /nfs/dbraw/zinc/35/72/69/1022357269.db2.gz MZFCEMUGZFDZCC-GOSISDBHSA-N 1 1 339.385 3.911 20 30 EHEDMO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000438059021 1022357286 /nfs/dbraw/zinc/35/72/86/1022357286.db2.gz MZFCEMUGZFDZCC-GOSISDBHSA-N 1 1 339.385 3.911 20 30 EHEDMO C=CCCCN(CC)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000894518050 1022454590 /nfs/dbraw/zinc/45/45/90/1022454590.db2.gz VBVRWBDSNYIUOM-IBGZPJMESA-N 1 1 329.488 3.506 20 30 EHEDMO CCOc1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)o1 ZINC000891722453 1022458273 /nfs/dbraw/zinc/45/82/73/1022458273.db2.gz ZEFSXLXXMVSHQY-UHFFFAOYSA-N 1 1 326.396 3.593 20 30 EHEDMO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+]1CCOC[C@@H](C)C1 ZINC000328680684 1022465836 /nfs/dbraw/zinc/46/58/36/1022465836.db2.gz NTTITDMTTNAHDX-SOUVJXGZSA-N 1 1 330.428 3.807 20 30 EHEDMO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+]1CCOC[C@@H](C)C1 ZINC000328680684 1022465840 /nfs/dbraw/zinc/46/58/40/1022465840.db2.gz NTTITDMTTNAHDX-SOUVJXGZSA-N 1 1 330.428 3.807 20 30 EHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)C1 ZINC000328853944 1022515537 /nfs/dbraw/zinc/51/55/37/1022515537.db2.gz SRHOYIHZDDZYHH-FRFSOERESA-N 1 1 340.402 3.747 20 30 EHEDMO Cn1cc[nH+]c1[C@@H]1CCN(C([O-])=[NH+][C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000328879582 1022525791 /nfs/dbraw/zinc/52/57/91/1022525791.db2.gz VIYAKGRJBLSXFL-RHSMWYFYSA-N 1 1 338.455 3.546 20 30 EHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(CC#N)c2)C1 ZINC000330709751 1022657238 /nfs/dbraw/zinc/65/72/38/1022657238.db2.gz WQFKOIOSGVBJEZ-INIZCTEOSA-N 1 1 327.472 3.958 20 30 EHEDMO CCC1(CC)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000438505709 1022742436 /nfs/dbraw/zinc/74/24/36/1022742436.db2.gz NXBYTJWZMXIFGM-QGZVFWFLSA-N 1 1 327.472 3.834 20 30 EHEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2cc(Br)cs2)no1 ZINC000593942329 1033083265 /nfs/dbraw/zinc/08/32/65/1033083265.db2.gz HMKREMVEQJUGRU-SECBINFHSA-N 1 1 341.234 3.644 20 30 EHEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000276777988 1022824100 /nfs/dbraw/zinc/82/41/00/1022824100.db2.gz PVEMWALEZLNWDA-PKOBYXMFSA-N 1 1 326.484 3.760 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)s1 ZINC000506296161 1022844168 /nfs/dbraw/zinc/84/41/68/1022844168.db2.gz XDGIGUITWVCBCR-UHFFFAOYSA-N 1 1 345.899 3.981 20 30 EHEDMO C[C@@]1(CNC(=O)Nc2ccc(C#N)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000426084272 1022872157 /nfs/dbraw/zinc/87/21/57/1022872157.db2.gz GYPZWBFJYWEEBJ-NRFANRHFSA-N 1 1 348.450 3.734 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(-n2cncn2)cc1 ZINC000120721788 1022874357 /nfs/dbraw/zinc/87/43/57/1022874357.db2.gz FMTHKHWJTXLOOI-UHFFFAOYSA-N 1 1 331.423 3.551 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC000341682563 1023002895 /nfs/dbraw/zinc/00/28/95/1023002895.db2.gz ZFMCHPLAAUVKHP-UHFFFAOYSA-N 1 1 339.826 3.599 20 30 EHEDMO CCC[N@H+]1CC[C@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000598342437 1033107451 /nfs/dbraw/zinc/10/74/51/1033107451.db2.gz NFLHBIHBDPYFGQ-SFHVURJKSA-N 1 1 349.434 3.565 20 30 EHEDMO C=C(C)C[N@H+](C)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000181292667 1023896551 /nfs/dbraw/zinc/89/65/51/1023896551.db2.gz UUOXXBVLITUYEK-HXUWFJFHSA-N 1 1 340.492 3.730 20 30 EHEDMO C[C@H]1[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)CCC12CCOCC2 ZINC000329655993 1023990109 /nfs/dbraw/zinc/99/01/09/1023990109.db2.gz GANHQLNDQYEOHA-CYBMUJFWSA-N 1 1 349.500 3.501 20 30 EHEDMO C[C@H]1[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)CCC12CCOCC2 ZINC000329655993 1023990127 /nfs/dbraw/zinc/99/01/27/1023990127.db2.gz GANHQLNDQYEOHA-CYBMUJFWSA-N 1 1 349.500 3.501 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)N1CCCc2ccccc21 ZINC000425534240 1024007451 /nfs/dbraw/zinc/00/74/51/1024007451.db2.gz LTBUQQUJLFGJSN-QGZVFWFLSA-N 1 1 347.462 3.921 20 30 EHEDMO C=CC[N@H+](CCc1ccc(OC)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063288460 1033179257 /nfs/dbraw/zinc/17/92/57/1033179257.db2.gz UOGWTUCZRNKGRF-UHFFFAOYSA-N 1 1 326.396 3.834 20 30 EHEDMO COc1cc([C@H](C)[NH2+]Cc2cccc(F)c2C#N)cc(OC)c1OC ZINC000428310100 1024094899 /nfs/dbraw/zinc/09/48/99/1024094899.db2.gz FYXSOJHJKUYGSR-LBPRGKRZSA-N 1 1 344.386 3.574 20 30 EHEDMO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+](C)C[C@H]1CCCCO1 ZINC000329822996 1024210281 /nfs/dbraw/zinc/21/02/81/1024210281.db2.gz HHNSHMKYEYIHNA-CHWSQXEVSA-N 1 1 333.457 3.774 20 30 EHEDMO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+](C)C[C@H]1CCCCO1 ZINC000329822996 1024210295 /nfs/dbraw/zinc/21/02/95/1024210295.db2.gz HHNSHMKYEYIHNA-CHWSQXEVSA-N 1 1 333.457 3.774 20 30 EHEDMO CCN1CCC([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000047697811 1024244411 /nfs/dbraw/zinc/24/44/11/1024244411.db2.gz AZAMMSKNDHWZMU-UHFFFAOYSA-N 1 1 349.478 3.711 20 30 EHEDMO COc1ccc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c(OC(C)C)c1 ZINC000329914273 1024246479 /nfs/dbraw/zinc/24/64/79/1024246479.db2.gz CIIMROKQRSZULK-HNNXBMFYSA-N 1 1 346.471 3.804 20 30 EHEDMO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(Oc3ccccn3)CC2)[C@H]1C ZINC000329922733 1024252019 /nfs/dbraw/zinc/25/20/19/1024252019.db2.gz UBACFUDEYFFJGF-RYRKJORJSA-N 1 1 345.487 3.706 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nccc(C#N)c2Cl)C1 ZINC000342206311 1024401390 /nfs/dbraw/zinc/40/13/90/1024401390.db2.gz ARHXKSHAMAGEOQ-CABCVRRESA-N 1 1 332.879 3.697 20 30 EHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000892047823 1024472714 /nfs/dbraw/zinc/47/27/14/1024472714.db2.gz CZTYFJITPRSNJN-DZGCQCFKSA-N 1 1 349.500 3.745 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434896859 1024488627 /nfs/dbraw/zinc/48/86/27/1024488627.db2.gz TYJVJKBUFIRXMZ-QFBILLFUSA-N 1 1 336.435 3.824 20 30 EHEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000434901786 1024492504 /nfs/dbraw/zinc/49/25/04/1024492504.db2.gz ZEVLLDMHFCDEIL-HBGVWJBISA-N 1 1 345.446 3.542 20 30 EHEDMO C=C(Cl)C[N@H+](C[C@@H](O)COc1ccccc1SC)C(C)C ZINC000839645301 1024522264 /nfs/dbraw/zinc/52/22/64/1024522264.db2.gz AKWMDJBCZJNJIS-CQSZACIVSA-N 1 1 329.893 3.611 20 30 EHEDMO Cc1ccc(C)c([C@@H]2CCC[N@H+]2CC(=O)NCc2ccc(C#N)cc2)c1 ZINC000474225759 1024597416 /nfs/dbraw/zinc/59/74/16/1024597416.db2.gz ICHNXCVUKFMHHW-NRFANRHFSA-N 1 1 347.462 3.628 20 30 EHEDMO C=CCC[C@H](NC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000435112842 1024629881 /nfs/dbraw/zinc/62/98/81/1024629881.db2.gz DWTKMSPXKOMUSZ-GBESFXJTSA-N 1 1 327.472 3.620 20 30 EHEDMO CCC[N@H+](CC(=O)Nc1ccc(F)cc1F)Cc1ccc(C#N)cc1 ZINC000052825522 1024712773 /nfs/dbraw/zinc/71/27/73/1024712773.db2.gz FGBRIXYEKQQUAW-UHFFFAOYSA-N 1 1 343.377 3.687 20 30 EHEDMO CCC[N@@H+](CC(=O)Nc1ccc(F)cc1F)Cc1ccc(C#N)cc1 ZINC000052825522 1024712787 /nfs/dbraw/zinc/71/27/87/1024712787.db2.gz FGBRIXYEKQQUAW-UHFFFAOYSA-N 1 1 343.377 3.687 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000281336987 1024937745 /nfs/dbraw/zinc/93/77/45/1024937745.db2.gz YZLXSPYTOFSEAL-APWZRJJASA-N 1 1 333.435 3.604 20 30 EHEDMO N#Cc1nnc2ccccc2c1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435600769 1025041523 /nfs/dbraw/zinc/04/15/23/1025041523.db2.gz GBHTZKSKJSZMCI-INIZCTEOSA-N 1 1 335.455 3.710 20 30 EHEDMO CC[N@@H+](Cc1ccc(C#N)nc1)Cc1cccc(Br)c1 ZINC001140545358 1025058409 /nfs/dbraw/zinc/05/84/09/1025058409.db2.gz AYCJYQOMALKGIB-UHFFFAOYSA-N 1 1 330.229 3.738 20 30 EHEDMO COc1cc(C#N)ccc1C[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000602925365 1033257186 /nfs/dbraw/zinc/25/71/86/1033257186.db2.gz MXLWGGSMCLNZAS-QGZVFWFLSA-N 1 1 348.805 3.573 20 30 EHEDMO C=C(C)[C@H]1OCC[C@H]1C[NH2+]CC(C)(C)CN(C)Cc1ccccc1 ZINC000435730558 1025097816 /nfs/dbraw/zinc/09/78/16/1025097816.db2.gz FMZSBDPBOOZTKF-VQTJNVASSA-N 1 1 330.516 3.715 20 30 EHEDMO CC1(C)CCC[N@H+](CCNCc2cccc(OCCCC#N)c2)C1 ZINC000444007904 1025179810 /nfs/dbraw/zinc/17/98/10/1025179810.db2.gz GSTWWAPGSLPGAI-UHFFFAOYSA-N 1 1 329.488 3.581 20 30 EHEDMO CC1(C)CCC[N@@H+](CCNCc2cccc(OCCCC#N)c2)C1 ZINC000444007904 1025179815 /nfs/dbraw/zinc/17/98/15/1025179815.db2.gz GSTWWAPGSLPGAI-UHFFFAOYSA-N 1 1 329.488 3.581 20 30 EHEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000173387425 1033270583 /nfs/dbraw/zinc/27/05/83/1033270583.db2.gz CGBSMLWAZLCLST-DNVCBOLYSA-N 1 1 337.471 3.983 20 30 EHEDMO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@H]1CCNC(=O)OC(C)(C)C ZINC000896244047 1025272732 /nfs/dbraw/zinc/27/27/32/1025272732.db2.gz NLNAITULNUVVSU-HZPDHXFCSA-N 1 1 337.508 3.799 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000425444861 1025297045 /nfs/dbraw/zinc/29/70/45/1025297045.db2.gz OHZXUQBQALUXAL-BBWFWOEESA-N 1 1 342.487 3.524 20 30 EHEDMO C=CCOc1ccccc1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000303535304 1025474588 /nfs/dbraw/zinc/47/45/88/1025474588.db2.gz SMMDTBFFEXNRKO-HXUWFJFHSA-N 1 1 338.451 3.561 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccncc1OCC(F)F)c1ccc(C#N)c(F)c1 ZINC000442875921 1025548145 /nfs/dbraw/zinc/54/81/45/1025548145.db2.gz PWDXRXUEYSUDNM-LLVKDONJSA-N 1 1 335.329 3.587 20 30 EHEDMO COc1cc(C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)ccc1C#N ZINC000442881934 1025562545 /nfs/dbraw/zinc/56/25/45/1025562545.db2.gz BYHNEGHHMKLBKE-HXUWFJFHSA-N 1 1 335.451 3.970 20 30 EHEDMO CC[C@H](C)Oc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000329077196 1025590583 /nfs/dbraw/zinc/59/05/83/1025590583.db2.gz QCVSKKCWBQVAMD-BMGDILEWSA-N 1 1 331.460 3.817 20 30 EHEDMO COc1ccc(CCC[N@@H+](C)CCCC2(C#N)CCOCC2)cc1 ZINC000281869238 1025613791 /nfs/dbraw/zinc/61/37/91/1025613791.db2.gz CDSONEZBMQQZGW-UHFFFAOYSA-N 1 1 330.472 3.660 20 30 EHEDMO C[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C1(C(N)=O)CCCC1 ZINC000329137186 1025621926 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ZINC000425542144 1025698349 /nfs/dbraw/zinc/69/83/49/1025698349.db2.gz QEQITJXYMYZEMI-INIZCTEOSA-N 1 1 325.456 3.558 20 30 EHEDMO COc1cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)ccc1C ZINC000436487889 1025790866 /nfs/dbraw/zinc/79/08/66/1025790866.db2.gz QWXXVAQMLNAXOG-UHFFFAOYSA-N 1 1 335.451 3.588 20 30 EHEDMO CNC(=O)C1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000329398687 1025808278 /nfs/dbraw/zinc/80/82/78/1025808278.db2.gz AKQNAVOAMHWJLY-HWOWSKLDSA-N 1 1 335.492 3.743 20 30 EHEDMO C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)C[C@H](c2ccccc2)O1 ZINC000281968481 1025812852 /nfs/dbraw/zinc/81/28/52/1025812852.db2.gz KXLPOKFHLDNALV-PKOBYXMFSA-N 1 1 328.456 3.549 20 30 EHEDMO C[C@]1(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCOC1 ZINC000329431368 1025841020 /nfs/dbraw/zinc/84/10/20/1025841020.db2.gz ILRLLTNQDKJUII-BEFAXECRSA-N 1 1 331.460 3.629 20 30 EHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000093419965 1025841988 /nfs/dbraw/zinc/84/19/88/1025841988.db2.gz NKWAVTAJIASOOB-CVEARBPZSA-N 1 1 337.508 3.942 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC000329610716 1026075376 /nfs/dbraw/zinc/07/53/76/1026075376.db2.gz CBHVDPQYGWNHOL-OIISXLGYSA-N 1 1 329.444 3.678 20 30 EHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000563363799 1026338666 /nfs/dbraw/zinc/33/86/66/1026338666.db2.gz CFZNMLZFNAYBRD-IBGZPJMESA-N 1 1 349.434 3.928 20 30 EHEDMO N#Cc1cccc(OCCCN2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000323651679 1026514802 /nfs/dbraw/zinc/51/48/02/1026514802.db2.gz JNYLGWFSXVGENK-UHFFFAOYSA-N 1 1 349.478 3.535 20 30 EHEDMO N#Cc1cccc(OCCC[N@@H+]2CCCN(Cc3ccccc3)CC2)c1 ZINC000323651679 1026514810 /nfs/dbraw/zinc/51/48/10/1026514810.db2.gz JNYLGWFSXVGENK-UHFFFAOYSA-N 1 1 349.478 3.535 20 30 EHEDMO N#Cc1cccc(OCCC[N@H+]2CCCN(Cc3ccccc3)CC2)c1 ZINC000323651679 1026514822 /nfs/dbraw/zinc/51/48/22/1026514822.db2.gz JNYLGWFSXVGENK-UHFFFAOYSA-N 1 1 349.478 3.535 20 30 EHEDMO CC(C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000342666946 1026652976 /nfs/dbraw/zinc/65/29/76/1026652976.db2.gz UKLXNWMOIZTNJM-ROUUACIJSA-N 1 1 327.472 3.690 20 30 EHEDMO C[C@H](c1cccnc1)[NH+]1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000563420096 1026788856 /nfs/dbraw/zinc/78/88/56/1026788856.db2.gz KZDYPJPKDCKIGQ-CQSZACIVSA-N 1 1 342.393 3.774 20 30 EHEDMO CCC[N@@H+](C)C[C@H]1CCN(c2cc(C#N)ccc2C(F)(F)F)C1 ZINC000128020776 1026816874 /nfs/dbraw/zinc/81/68/74/1026816874.db2.gz YIAAPOCGFAKVMQ-CQSZACIVSA-N 1 1 325.378 3.745 20 30 EHEDMO CSc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000046518510 1026913095 /nfs/dbraw/zinc/91/30/95/1026913095.db2.gz INFVXRSTDBYXFC-CQSZACIVSA-N 1 1 339.464 3.739 20 30 EHEDMO CSc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000046518510 1026913108 /nfs/dbraw/zinc/91/31/08/1026913108.db2.gz INFVXRSTDBYXFC-CQSZACIVSA-N 1 1 339.464 3.739 20 30 EHEDMO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]CCCC#N)c1ccccc1 ZINC000342742632 1026926490 /nfs/dbraw/zinc/92/64/90/1026926490.db2.gz RASYEDZHVNRSDR-IBGZPJMESA-N 1 1 337.423 3.577 20 30 EHEDMO Cc1ccc(C(=O)N2CC[NH+](CCCCC(C)(C)C#N)CC2)cc1F ZINC000277789824 1026951557 /nfs/dbraw/zinc/95/15/57/1026951557.db2.gz SNZLJXCDRSGGMP-UHFFFAOYSA-N 1 1 345.462 3.612 20 30 EHEDMO Clc1ccccc1C#CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000135217469 1027042947 /nfs/dbraw/zinc/04/29/47/1027042947.db2.gz YIEQPOUGBJMOAX-XLIONFOSSA-N 1 1 328.887 3.640 20 30 EHEDMO Cc1oc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(C)cc2)c(C#N)c1C ZINC000128118251 1027267903 /nfs/dbraw/zinc/26/79/03/1027267903.db2.gz ARURNBUGOGANJO-AWEZNQCLSA-N 1 1 325.412 3.708 20 30 EHEDMO Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(C)cc2)c(C#N)c1C ZINC000128118251 1027267915 /nfs/dbraw/zinc/26/79/15/1027267915.db2.gz ARURNBUGOGANJO-AWEZNQCLSA-N 1 1 325.412 3.708 20 30 EHEDMO CCCCOc1ccc(C[NH+]2CCC(C#N)(COC)CC2)cc1OC ZINC000342835392 1027543737 /nfs/dbraw/zinc/54/37/37/1027543737.db2.gz FAPGXYZCMSRPPM-UHFFFAOYSA-N 1 1 346.471 3.626 20 30 EHEDMO Cc1ccc(C(=O)N2CC[NH+](CCCCC(C)(C)C#N)CC2)s1 ZINC000277876532 1027568789 /nfs/dbraw/zinc/56/87/89/1027568789.db2.gz YYMIDUMEVKHLHC-UHFFFAOYSA-N 1 1 333.501 3.534 20 30 EHEDMO COCC1(C#N)CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000342838595 1027572282 /nfs/dbraw/zinc/57/22/82/1027572282.db2.gz PQJFOTUCLSRCIF-UHFFFAOYSA-N 1 1 347.890 3.692 20 30 EHEDMO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046529841 1027727404 /nfs/dbraw/zinc/72/74/04/1027727404.db2.gz KRKXYWUXANUWCB-SJORKVTESA-N 1 1 335.451 3.564 20 30 EHEDMO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046529841 1027727423 /nfs/dbraw/zinc/72/74/23/1027727423.db2.gz KRKXYWUXANUWCB-SJORKVTESA-N 1 1 335.451 3.564 20 30 EHEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000119917611 1027847006 /nfs/dbraw/zinc/84/70/06/1027847006.db2.gz XJNHQPMGPGHJQN-INIZCTEOSA-N 1 1 342.487 3.587 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CCC1 ZINC000533439832 1027847375 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N#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)nc1 ZINC000582853491 1028011074 /nfs/dbraw/zinc/01/10/74/1028011074.db2.gz GYMVQXPREHOZIP-HNNXBMFYSA-N 1 1 348.233 3.913 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)nc1 ZINC000582853491 1028011090 /nfs/dbraw/zinc/01/10/90/1028011090.db2.gz GYMVQXPREHOZIP-HNNXBMFYSA-N 1 1 348.233 3.913 20 30 EHEDMO CC[C@@H](c1ccccc1)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC(C)C ZINC000533523257 1028043770 /nfs/dbraw/zinc/04/37/70/1028043770.db2.gz IXRUEYHIVZTITO-PZJWPPBQSA-N 1 1 341.499 3.904 20 30 EHEDMO N#CCC[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422994256 1028100847 /nfs/dbraw/zinc/10/08/47/1028100847.db2.gz HFDSVWUDQICEDV-ONTIZHBOSA-N 1 1 347.462 3.877 20 30 EHEDMO CC[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1O ZINC000444662116 1028123060 /nfs/dbraw/zinc/12/30/60/1028123060.db2.gz MLTXOLPUQSWSII-NQIIRXRSSA-N 1 1 334.463 3.589 20 30 EHEDMO C[C@H]1CCC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@@H]1CO ZINC000444660826 1028123356 /nfs/dbraw/zinc/12/33/56/1028123356.db2.gz GQOZRDYQBJGXII-SIKLNZKXSA-N 1 1 348.490 3.979 20 30 EHEDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444671912 1028142689 /nfs/dbraw/zinc/14/26/89/1028142689.db2.gz KHKMMRNZWQIAMA-WOJBJXKFSA-N 1 1 347.506 3.911 20 30 EHEDMO C[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@H](C)CN1C ZINC000444671912 1028142701 /nfs/dbraw/zinc/14/27/01/1028142701.db2.gz KHKMMRNZWQIAMA-WOJBJXKFSA-N 1 1 347.506 3.911 20 30 EHEDMO C[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@H](C)CN1C ZINC000444671912 1028142707 /nfs/dbraw/zinc/14/27/07/1028142707.db2.gz KHKMMRNZWQIAMA-WOJBJXKFSA-N 1 1 347.506 3.911 20 30 EHEDMO N#CC(CC[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)(c1ccccc1)c1ccccc1 ZINC000444689419 1028164235 /nfs/dbraw/zinc/16/42/35/1028164235.db2.gz NOTJPJDCOSNZIP-BWAGFHJFSA-N 1 1 346.474 3.589 20 30 EHEDMO COc1cccc(C2=CC[N@@H+](Cc3cc(C#N)ccc3OC)CC2)c1 ZINC000440566972 1028300417 /nfs/dbraw/zinc/30/04/17/1028300417.db2.gz 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C[C@@H](C[N@@H+](Cc1cccc(F)c1C#N)[C@@H](C)CO)c1ccccc1 ZINC000428975156 1129653895 /nfs/dbraw/zinc/65/38/95/1129653895.db2.gz GYUIHKYLSPMTFC-HOTGVXAUSA-N 1 1 326.415 3.684 20 30 EHEDMO C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000429006065 1129690253 /nfs/dbraw/zinc/69/02/53/1129690253.db2.gz HOWMYIUYWRXOME-JOCHJYFZSA-N 1 1 331.463 3.753 20 30 EHEDMO CN1CC[C@@]2(CC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000429006065 1129690255 /nfs/dbraw/zinc/69/02/55/1129690255.db2.gz HOWMYIUYWRXOME-JOCHJYFZSA-N 1 1 331.463 3.753 20 30 EHEDMO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000429006065 1129690257 /nfs/dbraw/zinc/69/02/57/1129690257.db2.gz HOWMYIUYWRXOME-JOCHJYFZSA-N 1 1 331.463 3.753 20 30 EHEDMO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000429006065 1129690259 /nfs/dbraw/zinc/69/02/59/1129690259.db2.gz HOWMYIUYWRXOME-JOCHJYFZSA-N 1 1 331.463 3.753 20 30 EHEDMO C[N@H+]1CC[C@@]2(CCN(Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000429006065 1129690260 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C=CC[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000625703970 1129987265 /nfs/dbraw/zinc/98/72/65/1129987265.db2.gz QIKANLOVBKGNGK-OXQOHEQNSA-N 1 1 340.492 3.852 20 30 EHEDMO Cc1[nH+]cn(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1C ZINC000171667516 1130078069 /nfs/dbraw/zinc/07/80/69/1130078069.db2.gz SQHCKUPWRFLWJZ-UHFFFAOYSA-N 1 1 342.468 3.731 20 30 EHEDMO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000429236195 1130159628 /nfs/dbraw/zinc/15/96/28/1130159628.db2.gz LMPNRDVGYMEBOU-AWEZNQCLSA-N 1 1 327.378 3.547 20 30 EHEDMO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000429236195 1130159631 /nfs/dbraw/zinc/15/96/31/1130159631.db2.gz LMPNRDVGYMEBOU-AWEZNQCLSA-N 1 1 327.378 3.547 20 30 EHEDMO N#Cc1cccc(OC2CC[NH+](Cc3ccncc3Cl)CC2)c1 ZINC000173667029 1130278629 /nfs/dbraw/zinc/27/86/29/1130278629.db2.gz AAEHWCXJVAWJPB-UHFFFAOYSA-N 1 1 327.815 3.650 20 30 EHEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1Oc1ccccc1C ZINC000730286118 1130693467 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C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1nc2ccccc2[nH]1 ZINC000734362886 1131224729 /nfs/dbraw/zinc/22/47/29/1131224729.db2.gz UTITZCHJYIOMGE-OAHLLOKOSA-N 1 1 333.439 3.873 20 30 EHEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000739856224 1131511757 /nfs/dbraw/zinc/51/17/57/1131511757.db2.gz FFTSWIGMMRDPLR-KXBFYZLASA-N 1 1 337.471 3.983 20 30 EHEDMO CC(C)C[N@@H+](CCC#N)CCC(=O)Nc1ccc(Cl)cc1F ZINC000740423541 1131530753 /nfs/dbraw/zinc/53/07/53/1131530753.db2.gz MUUIOEZUHOMWNB-UHFFFAOYSA-N 1 1 325.815 3.679 20 30 EHEDMO C#Cc1cccc(N(C)C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000741213377 1131586752 /nfs/dbraw/zinc/58/67/52/1131586752.db2.gz YIAYFGYNIKVWEX-SFHVURJKSA-N 1 1 326.827 3.587 20 30 EHEDMO C=C(Br)COC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000741333010 1131595610 /nfs/dbraw/zinc/59/56/10/1131595610.db2.gz BQXQRHBLYXSQHN-UHFFFAOYSA-N 1 1 340.261 3.984 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000741782425 1131646929 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C[C@@H](CCCC#N)[N@H+]1CCc2ncnc(-c3cccc(F)c3)c2CC1 ZINC001172495835 1131758709 /nfs/dbraw/zinc/75/87/09/1131758709.db2.gz IGFJCNVBTKKGKI-HNNXBMFYSA-N 1 1 338.430 3.766 20 30 EHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC001172498043 1131759882 /nfs/dbraw/zinc/75/98/82/1131759882.db2.gz IGQQBRVSYLRTPA-QAPCUYQASA-N 1 1 331.485 3.649 20 30 EHEDMO CCCCCCC[C@@H](CCC)[N@H+]1CC[C@H]2OCC[C@@]2(C(=O)NC)C1 ZINC001172511096 1131764093 /nfs/dbraw/zinc/76/40/93/1131764093.db2.gz MSTWAEIALHWCSA-QWFCFKBJSA-N 1 1 338.536 3.743 20 30 EHEDMO CC(C)OC(=O)CC[C@H](C)[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001172771976 1131841983 /nfs/dbraw/zinc/84/19/83/1131841983.db2.gz ARNOJKAVDVMLMY-FUHWJXTLSA-N 1 1 344.455 3.522 20 30 EHEDMO CCOc1ccc(O)c(/C=N/[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000743044117 1131842131 /nfs/dbraw/zinc/84/21/31/1131842131.db2.gz FQQCJGDCPRGEEW-CKMDTHJYSA-N 1 1 349.434 3.927 20 30 EHEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172792250 1131847528 /nfs/dbraw/zinc/84/75/28/1131847528.db2.gz PUJZPQBSTGDMIV-WSTZPKSXSA-N 1 1 325.452 3.731 20 30 EHEDMO CC[N@@H+](Cc1cccs1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172989435 1131925047 /nfs/dbraw/zinc/92/50/47/1131925047.db2.gz GQSJSSZYLFYQIB-GJZGRUSLSA-N 1 1 349.500 3.862 20 30 EHEDMO Cc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c1 ZINC001172981391 1131925189 /nfs/dbraw/zinc/92/51/89/1131925189.db2.gz VUJIYZIVLLGADG-ROUUACIJSA-N 1 1 343.471 3.719 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCC[C@@H]3CCCC[C@H]32)C[C@H]1C#N ZINC001172983188 1131925878 /nfs/dbraw/zinc/92/58/78/1131925878.db2.gz CRJMHJWBJMEABI-XLAORIBOSA-N 1 1 347.503 3.933 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CC[C@@H]2c2ccccc2)C[C@H]1C#N ZINC001172992137 1131937348 /nfs/dbraw/zinc/93/73/48/1131937348.db2.gz QVZWDTIYJYMREZ-FGTMMUONSA-N 1 1 341.455 3.725 20 30 EHEDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)CN1C(=O)OC(C)(C)C ZINC001173069700 1131953943 /nfs/dbraw/zinc/95/39/43/1131953943.db2.gz JTAXGJLWLXNANJ-YJBOKZPZSA-N 1 1 343.471 3.778 20 30 EHEDMO CCCC[C@@H](CC(C)C)[NH2+][C@@H](Cc1ccc(C#N)cc1)C(=O)OC ZINC001173254772 1132020900 /nfs/dbraw/zinc/02/09/00/1132020900.db2.gz BBCCTXUOBXRURJ-OALUTQOASA-N 1 1 330.472 3.837 20 30 EHEDMO CCCCCCCC[C@@H](CCC)[NH2+]Cc1noc(C(=O)N(C)C)n1 ZINC001173310465 1132037889 /nfs/dbraw/zinc/03/78/89/1132037889.db2.gz VYFAXRKNISTANM-OAHLLOKOSA-N 1 1 338.496 3.780 20 30 EHEDMO C=CCOC1CCC([N@@H+](C[C@H](O)c2ccccc2OC)C(C)C)CC1 ZINC001173326531 1132047908 /nfs/dbraw/zinc/04/79/08/1132047908.db2.gz JKRUEJIOSGYTHE-QLOJAFMTSA-N 1 1 347.499 3.953 20 30 EHEDMO CC(C)[C@H]([NH2+]C1CCC(CC#N)CC1)C(=O)OCc1ccccc1 ZINC001173328365 1132049423 /nfs/dbraw/zinc/04/94/23/1132049423.db2.gz YIOKORHSMDFIIU-KVZIAJEVSA-N 1 1 328.456 3.816 20 30 EHEDMO C=CCOC1CCC([NH2+][C@@H](CCSC)C(=O)OC(C)(C)C)CC1 ZINC001173315266 1132059584 /nfs/dbraw/zinc/05/95/84/1132059584.db2.gz KGVXXHXUYRUYFY-GPANFISMSA-N 1 1 343.533 3.553 20 30 EHEDMO C=C(Br)C[C@@H]([NH3+])c1nc(-c2cc(F)c(F)cc2C)no1 ZINC001249256294 1132090072 /nfs/dbraw/zinc/09/00/72/1132090072.db2.gz OOKODBYXUQAQGN-LLVKDONJSA-N 1 1 344.159 3.622 20 30 EHEDMO C[C@H]1CC[N@H+](C2CCC(C)(C#N)CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001173591995 1132098261 /nfs/dbraw/zinc/09/82/61/1132098261.db2.gz BNRZXKLGTLTJRU-RIGHFQGKSA-N 1 1 349.519 3.942 20 30 EHEDMO C[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(C)(C#N)CC1 ZINC001173600325 1132102142 /nfs/dbraw/zinc/10/21/42/1132102142.db2.gz ZSYROHTXLCCELU-LYGPFTKASA-N 1 1 335.492 3.648 20 30 EHEDMO C=CC[C@@](C)([NH2+]C1CCC2(CCc3ccccc32)CC1)C(=O)OC ZINC001173686154 1132124587 /nfs/dbraw/zinc/12/45/87/1132124587.db2.gz JYXSXXQXYSZSLN-TWMPVWRBSA-N 1 1 327.468 3.911 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@@H](C)CC2)cc1 ZINC000745170800 1132212952 /nfs/dbraw/zinc/21/29/52/1132212952.db2.gz RFCMZWSIZDOVJR-AEFFLSMTSA-N 1 1 327.472 3.752 20 30 EHEDMO COC(=O)c1ccc(NC2=CCC[N@@H+](Cc3ccccc3)C2)c(C#N)c1 ZINC001174395159 1132328636 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C#CC(C)(C)[N@H+](C)CC(=O)N1CCC(CCc2ccc(C)cc2)CC1 ZINC001169243637 1132707139 /nfs/dbraw/zinc/70/71/39/1132707139.db2.gz RREWPBQXOUSAQJ-UHFFFAOYSA-N 1 1 340.511 3.510 20 30 EHEDMO C#CC(C)(C)[N@@H+](C)CC(=O)N1CCC(CCc2ccc(C)cc2)CC1 ZINC001169243637 1132707143 /nfs/dbraw/zinc/70/71/43/1132707143.db2.gz RREWPBQXOUSAQJ-UHFFFAOYSA-N 1 1 340.511 3.510 20 30 EHEDMO CC(C)(C)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC001169724536 1132835681 /nfs/dbraw/zinc/83/56/81/1132835681.db2.gz RWSFCTYTNDOHSS-AWEZNQCLSA-N 1 1 333.863 3.908 20 30 EHEDMO C#Cc1ccc(C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC001177982012 1133126199 /nfs/dbraw/zinc/12/61/99/1133126199.db2.gz ZJBMJWHJFIXZEP-RTBURBONSA-N 1 1 332.491 3.914 20 30 EHEDMO C[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C[N@H+](Cc2ccccc2)C1 ZINC000768517186 1133154008 /nfs/dbraw/zinc/15/40/08/1133154008.db2.gz IXCFXGLTPITNRX-JXFKEZNVSA-N 1 1 337.442 3.698 20 30 EHEDMO C[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C[N@@H+](Cc2ccccc2)C1 ZINC000768517186 1133154010 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C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000769188883 1133242199 /nfs/dbraw/zinc/24/21/99/1133242199.db2.gz QLRODYMMOVUDIC-UHFFFAOYSA-N 1 1 341.367 4.000 20 30 EHEDMO C#CCCOc1ccc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)cc1 ZINC000769399898 1133276538 /nfs/dbraw/zinc/27/65/38/1133276538.db2.gz XLSRVMBOVOMZKS-JOCHJYFZSA-N 1 1 335.447 3.836 20 30 EHEDMO C#CCCOc1ccc(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)cc1 ZINC000769399898 1133276543 /nfs/dbraw/zinc/27/65/43/1133276543.db2.gz XLSRVMBOVOMZKS-JOCHJYFZSA-N 1 1 335.447 3.836 20 30 EHEDMO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@@H](C)C#N ZINC001179894013 1133293917 /nfs/dbraw/zinc/29/39/17/1133293917.db2.gz HRKDKMSVCJYUIL-ZDUSSCGKSA-N 1 1 332.407 3.861 20 30 EHEDMO CCC[N@@H+](Cc1cc(C(=O)OCC)c(C)[nH]1)Cc1ccc(C#N)cc1 ZINC001180225606 1133346480 /nfs/dbraw/zinc/34/64/80/1133346480.db2.gz UAVWXXWFMQBUQL-UHFFFAOYSA-N 1 1 339.439 3.784 20 30 EHEDMO C#CCCCCCC[NH+]1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001180451936 1133377737 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3.646 20 30 EHEDMO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1(C)CCCC1 ZINC000786218436 1133821391 /nfs/dbraw/zinc/82/13/91/1133821391.db2.gz PMPXMYQXFBDOBA-ZDUSSCGKSA-N 1 1 327.453 3.737 20 30 EHEDMO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1(C)CCCC1 ZINC000786218436 1133821399 /nfs/dbraw/zinc/82/13/99/1133821399.db2.gz PMPXMYQXFBDOBA-ZDUSSCGKSA-N 1 1 327.453 3.737 20 30 EHEDMO N#Cc1c[nH]c2cc(NC(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc12 ZINC001183569446 1133825105 /nfs/dbraw/zinc/82/51/05/1133825105.db2.gz QAXOYXLAIUZRRO-MRXNPFEDSA-N 1 1 344.418 3.500 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCOCC3(CCCC3)C2)c(O)c(OC)c1 ZINC000774655748 1133835229 /nfs/dbraw/zinc/83/52/29/1133835229.db2.gz OIIARMDLJCNZHY-UHFFFAOYSA-N 1 1 331.456 3.522 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c1F ZINC000774661361 1133839618 /nfs/dbraw/zinc/83/96/18/1133839618.db2.gz WLWYMHGHNSDHHE-HZPDHXFCSA-N 1 1 330.428 3.847 20 30 EHEDMO C=C1CC(C)(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001184783530 1133989878 /nfs/dbraw/zinc/98/98/78/1133989878.db2.gz GUVXDZWEYZRAHV-MTQWCTHYSA-N 1 1 340.511 3.764 20 30 EHEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC001184795556 1133991693 /nfs/dbraw/zinc/99/16/93/1133991693.db2.gz ZSCNVWBVFUVARH-SFHVURJKSA-N 1 1 326.484 3.760 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000789500704 1134286091 /nfs/dbraw/zinc/28/60/91/1134286091.db2.gz CYVVPRJQSMHPPP-QZTJIDSGSA-N 1 1 343.496 3.915 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000789542341 1134293520 /nfs/dbraw/zinc/29/35/20/1134293520.db2.gz SERCZQRMHUQZQH-IBGZPJMESA-N 1 1 343.496 3.774 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)CCCc2c(F)cccc2Cl)n1 ZINC000789759450 1134328390 /nfs/dbraw/zinc/32/83/90/1134328390.db2.gz STKIAIAXCYRLER-UHFFFAOYSA-N 1 1 333.838 3.764 20 30 EHEDMO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+]([C@@H]1CC[C@H](C)C1)CC2 ZINC001170141127 1134443877 /nfs/dbraw/zinc/44/38/77/1134443877.db2.gz YPSKGENYKGIRBA-DOTOQJQBSA-N 1 1 329.488 3.542 20 30 EHEDMO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000775184280 1134490624 /nfs/dbraw/zinc/49/06/24/1134490624.db2.gz OGKKPIZSNODOQO-OXQOHEQNSA-N 1 1 344.455 3.675 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC001189275682 1134566014 /nfs/dbraw/zinc/56/60/14/1134566014.db2.gz DGQFZLZYBYXJQE-QGZVFWFLSA-N 1 1 343.515 3.986 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cc(OC)ccc1OC ZINC000791565918 1134574920 /nfs/dbraw/zinc/57/49/20/1134574920.db2.gz KSNBMRCBNSDIBW-HXUWFJFHSA-N 1 1 341.451 3.816 20 30 EHEDMO CCC(CC)[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)NCCC#N ZINC000791595596 1134579983 /nfs/dbraw/zinc/57/99/83/1134579983.db2.gz TVANMNCNKLFHDC-SFHVURJKSA-N 1 1 335.879 3.779 20 30 EHEDMO CC(C)[C@@H](C(=O)[C@@H](C#N)c1nccc2ccccc21)[NH+]1CCCCC1 ZINC000792094649 1134654053 /nfs/dbraw/zinc/65/40/53/1134654053.db2.gz PCHRSPARWQZOPX-ICSRJNTNSA-N 1 1 335.451 3.922 20 30 EHEDMO C#CC[N@H+](C[C@@H]1CCCC[C@H]1C(=O)OC)[C@H]1CCc2ccccc21 ZINC001190527851 1134712843 /nfs/dbraw/zinc/71/28/43/1134712843.db2.gz HTKPEAMYZAYATL-SXLOBPIMSA-N 1 1 325.452 3.589 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC001190698743 1134734245 /nfs/dbraw/zinc/73/42/45/1134734245.db2.gz ATQJITPMDSFNLG-NRFANRHFSA-N 1 1 334.463 3.831 20 30 EHEDMO N#CC1(c2ccccc2)CCC([NH+]2CCN(C3CCCC3)CC2)CC1 ZINC001170387004 1134762153 /nfs/dbraw/zinc/76/21/53/1134762153.db2.gz PIVISXQDTWKYDL-UHFFFAOYSA-N 1 1 337.511 3.951 20 30 EHEDMO N#CC1(c2ccccc2)CCC([N@@H+]2CCOC[C@H]2c2cccnc2)CC1 ZINC001170396100 1134764529 /nfs/dbraw/zinc/76/45/29/1134764529.db2.gz VJIDVYHLOJYRKB-ORFBVSJDSA-N 1 1 347.462 3.859 20 30 EHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCOC[C@H]2c2cccnc2)CC1 ZINC001170396100 1134764535 /nfs/dbraw/zinc/76/45/35/1134764535.db2.gz VJIDVYHLOJYRKB-ORFBVSJDSA-N 1 1 347.462 3.859 20 30 EHEDMO C#CC[N@@H+](CC#CC)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001191246925 1134835756 /nfs/dbraw/zinc/83/57/56/1134835756.db2.gz YSZYRKVBKKDCNW-UHFFFAOYSA-N 1 1 346.430 3.766 20 30 EHEDMO COc1ccc(O)c(/C=N/C[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000005291752 1134920948 /nfs/dbraw/zinc/92/09/48/1134920948.db2.gz WSGMCQFQJDZDEO-MLHZQLSASA-N 1 1 332.831 3.776 20 30 EHEDMO CCCCCCC[C@H](C)NC(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001192926728 1135078047 /nfs/dbraw/zinc/07/80/47/1135078047.db2.gz OJEAWVZFQOKRFQ-KRWDZBQOSA-N 1 1 335.536 3.863 20 30 EHEDMO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001193103550 1135101485 /nfs/dbraw/zinc/10/14/85/1135101485.db2.gz JENIZUIHNQERNU-UKRRQHHQSA-N 1 1 327.346 3.612 20 30 EHEDMO CCCC[N@@H+](C[C@@H](O)COc1ccccc1C#N)C1CCCCC1 ZINC001194674133 1135304652 /nfs/dbraw/zinc/30/46/52/1135304652.db2.gz BWPWKDSWBVMNGM-LJQANCHMSA-N 1 1 330.472 3.733 20 30 EHEDMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000805762474 1135329044 /nfs/dbraw/zinc/32/90/44/1135329044.db2.gz AWFJBVIHQIJSMT-GOSISDBHSA-N 1 1 343.471 3.828 20 30 EHEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)N=Cc1cc2ccccc2[nH]c1=O ZINC000775631523 1135361547 /nfs/dbraw/zinc/36/15/47/1135361547.db2.gz SPYACDHNSCVFPL-NXUSMQHESA-N 1 1 333.435 3.880 20 30 EHEDMO C#CCOc1ccc([C@@H](C)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000806173572 1135397831 /nfs/dbraw/zinc/39/78/31/1135397831.db2.gz YJISUTYBOVCRCI-IERDGZPVSA-N 1 1 340.442 3.791 20 30 EHEDMO COC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1cccc(Cl)c1F ZINC000806148430 1135401507 /nfs/dbraw/zinc/40/15/07/1135401507.db2.gz GROHRAGYCMXBFI-MRXNPFEDSA-N 1 1 348.805 3.837 20 30 EHEDMO Cc1cc(C#N)cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001195429200 1135429014 /nfs/dbraw/zinc/42/90/14/1135429014.db2.gz IJCCQZFWEIHYTK-LJQANCHMSA-N 1 1 347.462 3.509 20 30 EHEDMO C=CC[C@@H]1CCC[N@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC001195945944 1135498000 /nfs/dbraw/zinc/49/80/00/1135498000.db2.gz CYADIHFLCSJBQG-CYBMUJFWSA-N 1 1 334.261 3.885 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C3CCCCC3)C2)cc1 ZINC001196410617 1135559356 /nfs/dbraw/zinc/55/93/56/1135559356.db2.gz SNQRJNARMAGXMC-SFHVURJKSA-N 1 1 325.456 3.789 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)c(Br)c1 ZINC001137638927 1135571613 /nfs/dbraw/zinc/57/16/13/1135571613.db2.gz AMPMFUWYLNSTPN-UHFFFAOYSA-N 1 1 343.224 3.585 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCc3cccc(O)c3C2)c(Br)c1 ZINC001137638927 1135571619 /nfs/dbraw/zinc/57/16/19/1135571619.db2.gz AMPMFUWYLNSTPN-UHFFFAOYSA-N 1 1 343.224 3.585 20 30 EHEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)c1ccc(-c3ccc(C#N)cc3)o1)C2 ZINC001197403674 1135685035 /nfs/dbraw/zinc/68/50/35/1135685035.db2.gz NZIAJNAUCGAJNN-NNZMDNLPSA-N 1 1 349.434 3.563 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2CC[C@@H](C)[C@@H]2c2ccccc2)c1C#N ZINC001197661702 1135717745 /nfs/dbraw/zinc/71/77/45/1135717745.db2.gz ZCJZGZRJOCINCG-FOIQADDNSA-N 1 1 334.419 3.928 20 30 EHEDMO C#CC[C@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC001197700870 1135727485 /nfs/dbraw/zinc/72/74/85/1135727485.db2.gz AEZXQMBCLXVJCS-STQMWFEESA-N 1 1 339.266 3.516 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)CC[C@H]2C)cc1C ZINC000747532425 1135755989 /nfs/dbraw/zinc/75/59/89/1135755989.db2.gz XQWAUQLVLNOXCZ-CRAIPNDOSA-N 1 1 327.472 3.671 20 30 EHEDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1sc2ccc(C#N)cc2c1C ZINC001131558840 1135778540 /nfs/dbraw/zinc/77/85/40/1135778540.db2.gz CKHGZPTUCVPGQG-UHFFFAOYSA-N 1 1 343.496 3.932 20 30 EHEDMO C#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)cc1 ZINC000809591586 1135858955 /nfs/dbraw/zinc/85/89/55/1135858955.db2.gz IQOWJHRJUAOABP-NRFANRHFSA-N 1 1 331.415 3.997 20 30 EHEDMO C#C[C@@H]([NH2+][C@@H](C)Cc1cccc(OC)n1)c1ccc(Cl)cc1F ZINC000809699534 1135869404 /nfs/dbraw/zinc/86/94/04/1135869404.db2.gz SPDNKXPKWUPNBJ-YVEFUNNKSA-N 1 1 332.806 3.778 20 30 EHEDMO C[C@@H](C#N)C[N@@H+](C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000809965603 1135904469 /nfs/dbraw/zinc/90/44/69/1135904469.db2.gz IQJZNKIBDLFMSV-ULQDDVLXSA-N 1 1 349.519 3.942 20 30 EHEDMO Cc1ncsc1CO[NH+]=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000809991215 1135909506 /nfs/dbraw/zinc/90/95/06/1135909506.db2.gz ANMYYVRVKSJJFQ-UHFFFAOYSA-N 1 1 346.412 3.511 20 30 EHEDMO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000810033294 1135917245 /nfs/dbraw/zinc/91/72/45/1135917245.db2.gz FEGYOBPYJYMKHW-IBGZPJMESA-N 1 1 341.455 3.582 20 30 EHEDMO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000810033294 1135917248 /nfs/dbraw/zinc/91/72/48/1135917248.db2.gz FEGYOBPYJYMKHW-IBGZPJMESA-N 1 1 341.455 3.582 20 30 EHEDMO CCCC[C@H](C)[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000810125338 1135924248 /nfs/dbraw/zinc/92/42/48/1135924248.db2.gz ULXBCDXMKIZHCZ-GOEBONIOSA-N 1 1 336.439 3.734 20 30 EHEDMO CCN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000810437857 1135964612 /nfs/dbraw/zinc/96/46/12/1135964612.db2.gz JQRDDWGZEAXHBC-YWZLYKJASA-N 1 1 345.462 3.680 20 30 EHEDMO C#CCOc1cccc([C@@H](C)OC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)c1 ZINC000810576146 1135977406 /nfs/dbraw/zinc/97/74/06/1135977406.db2.gz LTNSLOIZRVRUCO-FOIQADDNSA-N 1 1 347.430 3.515 20 30 EHEDMO CC[C@H](C)C[N@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001201510067 1136030504 /nfs/dbraw/zinc/03/05/04/1136030504.db2.gz WUNYNECPLKSTFS-GHTZIAJQSA-N 1 1 341.499 3.523 20 30 EHEDMO C#CCCCCCC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000810981451 1136033241 /nfs/dbraw/zinc/03/32/41/1136033241.db2.gz CIFRSJUXKHDBDP-NRFANRHFSA-N 1 1 340.511 3.989 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CCc1ccccc1)[C@H]2CC ZINC001201597070 1136039556 /nfs/dbraw/zinc/03/95/56/1136039556.db2.gz SAYYNDWGSOGSHC-FPOVZHCZSA-N 1 1 326.484 3.651 20 30 EHEDMO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1C[C@@H](CC)CCCC ZINC001201560591 1136040689 /nfs/dbraw/zinc/04/06/89/1136040689.db2.gz UPXFWNGKDCCECJ-FUHWJXTLSA-N 1 1 334.508 3.616 20 30 EHEDMO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1C[C@@H](CC)CCCC ZINC001201560591 1136040691 /nfs/dbraw/zinc/04/06/91/1136040691.db2.gz UPXFWNGKDCCECJ-FUHWJXTLSA-N 1 1 334.508 3.616 20 30 EHEDMO CCC[N@H+]1CCc2c(N)sc(Nc3ccc(C#N)cc3F)c2C1 ZINC001201567181 1136042079 /nfs/dbraw/zinc/04/20/79/1136042079.db2.gz ZTCGISUZAZPANH-UHFFFAOYSA-N 1 1 330.432 3.853 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@H]2[C@H](C1)OCCN2C(=O)OC(C)(C)C ZINC001201761716 1136060474 /nfs/dbraw/zinc/06/04/74/1136060474.db2.gz PGUBHZNSWQVGAR-IRXDYDNUSA-N 1 1 340.508 3.667 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@@H](Oc2ncc(Br)cn2)C1 ZINC001201788031 1136066285 /nfs/dbraw/zinc/06/62/85/1136066285.db2.gz SWXHKXVFEKMBDJ-CQSZACIVSA-N 1 1 342.281 3.663 20 30 EHEDMO CCCCCCCC[N@H+]1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001201826100 1136067924 /nfs/dbraw/zinc/06/79/24/1136067924.db2.gz NBYSGZSZFOECOG-TZIWHRDSSA-N 1 1 343.515 3.770 20 30 EHEDMO CCCCCCCCC[N@H+]1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC001201840116 1136069712 /nfs/dbraw/zinc/06/97/12/1136069712.db2.gz URKDXIXVTOHJKA-RTBURBONSA-N 1 1 330.520 3.985 20 30 EHEDMO CCCCCCCCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001201875084 1136072035 /nfs/dbraw/zinc/07/20/35/1136072035.db2.gz OXVAUVDIZMNARR-MOPGFXCFSA-N 1 1 346.519 3.507 20 30 EHEDMO N#Cc1csc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)n1 ZINC000811467750 1136094406 /nfs/dbraw/zinc/09/44/06/1136094406.db2.gz SKPCEOBNBZIAKW-LSDHHAIUSA-N 1 1 347.509 3.945 20 30 EHEDMO N#Cc1csc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)n1 ZINC000811467750 1136094409 /nfs/dbraw/zinc/09/44/09/1136094409.db2.gz SKPCEOBNBZIAKW-LSDHHAIUSA-N 1 1 347.509 3.945 20 30 EHEDMO C=CCN(C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C(C)C ZINC000776264349 1136115436 /nfs/dbraw/zinc/11/54/36/1136115436.db2.gz MHTBGZAIDZVDKF-LJQANCHMSA-N 1 1 329.488 3.503 20 30 EHEDMO Cc1nc(C(C)C)ccc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000338909505 1136147977 /nfs/dbraw/zinc/14/79/77/1136147977.db2.gz INPCDJXNGJFRNV-UHFFFAOYSA-N 1 1 348.494 3.703 20 30 EHEDMO Cc1nc(C(C)C)ccc1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000338909505 1136147978 /nfs/dbraw/zinc/14/79/78/1136147978.db2.gz INPCDJXNGJFRNV-UHFFFAOYSA-N 1 1 348.494 3.703 20 30 EHEDMO C[C@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccc(OCC#N)cc1 ZINC000776349431 1136162092 /nfs/dbraw/zinc/16/20/92/1136162092.db2.gz BPBTWDMQRMVNHO-ZDUSSCGKSA-N 1 1 327.453 3.775 20 30 EHEDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000812825843 1136250749 /nfs/dbraw/zinc/25/07/49/1136250749.db2.gz NTNNKMTYVNSAKU-SFHVURJKSA-N 1 1 349.475 3.650 20 30 EHEDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1sc2c(c1C#N)C(C)(C)CC2 ZINC001133944144 1136369377 /nfs/dbraw/zinc/36/93/77/1136369377.db2.gz PPDGPFCJHXAMPE-ZDUSSCGKSA-N 1 1 331.485 3.655 20 30 EHEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1sc2c(c1C#N)C(C)(C)CC2 ZINC001133944144 1136369380 /nfs/dbraw/zinc/36/93/80/1136369380.db2.gz PPDGPFCJHXAMPE-ZDUSSCGKSA-N 1 1 331.485 3.655 20 30 EHEDMO CC[C@H](CC#N)[NH2+]Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000852156046 1136437010 /nfs/dbraw/zinc/43/70/10/1136437010.db2.gz IDAQLQIUWXRJFL-QGZVFWFLSA-N 1 1 343.471 3.762 20 30 EHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@H]1CNC(=O)OC(C)(C)C ZINC000747969950 1136498107 /nfs/dbraw/zinc/49/81/07/1136498107.db2.gz UJWHRCLZFQNOCF-YJBOKZPZSA-N 1 1 343.471 3.683 20 30 EHEDMO CCc1cc(Br)ccc1N[NH+]=C(C)c1ccc(N)nc1 ZINC000814901679 1136522191 /nfs/dbraw/zinc/52/21/91/1136522191.db2.gz UTCIFVJHGNKRHG-UHFFFAOYSA-N 1 1 333.233 3.825 20 30 EHEDMO N#CC[C@@H]1CCC[N@@H+](Cn2nccc2-c2ccc(F)c(Cl)c2)C1 ZINC000853523887 1136540418 /nfs/dbraw/zinc/54/04/18/1136540418.db2.gz IFOVYCLDKBVKDC-ZDUSSCGKSA-N 1 1 332.810 3.926 20 30 EHEDMO N#CC[C@@H]1CCC[N@H+](Cn2nccc2-c2ccc(F)c(Cl)c2)C1 ZINC000853523887 1136540422 /nfs/dbraw/zinc/54/04/22/1136540422.db2.gz IFOVYCLDKBVKDC-ZDUSSCGKSA-N 1 1 332.810 3.926 20 30 EHEDMO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000815448269 1136597114 /nfs/dbraw/zinc/59/71/14/1136597114.db2.gz JMEAPMMLTQJEAI-KXBFYZLASA-N 1 1 326.440 3.960 20 30 EHEDMO C=CCC(F)(F)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000815744023 1136633145 /nfs/dbraw/zinc/63/31/45/1136633145.db2.gz FJBGQYCMDSBWKI-IBGZPJMESA-N 1 1 348.437 3.713 20 30 EHEDMO Cc1ccn(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c(=O)c1C#N ZINC000776774734 1136661444 /nfs/dbraw/zinc/66/14/44/1136661444.db2.gz MTSIJUKJWGDNJU-NRSPTQNISA-N 1 1 347.462 3.644 20 30 EHEDMO C#CCCOc1ccc(C[NH2+]Cc2ccn(-c3ccccc3)n2)cc1 ZINC000113329735 1136697390 /nfs/dbraw/zinc/69/73/90/1136697390.db2.gz ASULQHVJNQNSIV-UHFFFAOYSA-N 1 1 331.419 3.564 20 30 EHEDMO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001136030090 1136840900 /nfs/dbraw/zinc/84/09/00/1136840900.db2.gz VCXILCZLDMXMHU-FQEVSTJZSA-N 1 1 332.447 3.898 20 30 EHEDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001136030090 1136840902 /nfs/dbraw/zinc/84/09/02/1136840902.db2.gz VCXILCZLDMXMHU-FQEVSTJZSA-N 1 1 332.447 3.898 20 30 EHEDMO C=CC[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccncc1 ZINC000817893977 1136843830 /nfs/dbraw/zinc/84/38/30/1136843830.db2.gz JZEWEFWQYPECFN-ZVDOUQERSA-N 1 1 335.451 3.544 20 30 EHEDMO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](CCOCCC#N)C1 ZINC000339005690 1136896636 /nfs/dbraw/zinc/89/66/36/1136896636.db2.gz XZUVQSSTOMMQTF-HNNXBMFYSA-N 1 1 336.863 3.533 20 30 EHEDMO N#Cc1ccc(CC[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858050056 1136935782 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C[C@H]1[C@H](c2ccccc2)c2ccccc2CC[N@H+]1CCOCCC#N ZINC000339044921 1137160700 /nfs/dbraw/zinc/16/07/00/1137160700.db2.gz YWNUBHZEUHJZSA-PGRDOPGGSA-N 1 1 334.463 3.995 20 30 EHEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(N2CCOC2=O)cc1 ZINC000794460445 1137163348 /nfs/dbraw/zinc/16/33/48/1137163348.db2.gz YPHDYUVCTWJJAZ-ZDUSSCGKSA-N 1 1 339.370 3.505 20 30 EHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](c2ccccc2)OC1=O ZINC000863258907 1137178523 /nfs/dbraw/zinc/17/85/23/1137178523.db2.gz PZNLQFZHUAWLNZ-FQEVSTJZSA-N 1 1 349.434 3.920 20 30 EHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](c2ccccc2)OC1=O ZINC000863258907 1137178524 /nfs/dbraw/zinc/17/85/24/1137178524.db2.gz PZNLQFZHUAWLNZ-FQEVSTJZSA-N 1 1 349.434 3.920 20 30 EHEDMO CO[C@@H](C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000844371052 1137213085 /nfs/dbraw/zinc/21/30/85/1137213085.db2.gz MACYRVVUJJMDKU-OALUTQOASA-N 1 1 344.842 3.565 20 30 EHEDMO CC(C)O[C@H](C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000844372149 1137213111 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COc1ccc(OC(F)(F)F)cc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001144005005 1137224994 /nfs/dbraw/zinc/22/49/94/1137224994.db2.gz MPMYGBKAICBLBG-DEZZGGKRSA-N 1 1 340.345 3.860 20 30 EHEDMO C=CC[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001144019059 1137229148 /nfs/dbraw/zinc/22/91/48/1137229148.db2.gz AGPWHOFCHPHLKG-IHPCNDPISA-N 1 1 326.484 3.569 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(N)(c2ccccc2F)CC1 ZINC001171194212 1137300877 /nfs/dbraw/zinc/30/08/77/1137300877.db2.gz HRXWKFGXDKWPFB-MRXNPFEDSA-N 1 1 337.442 3.578 20 30 EHEDMO C[N@H+](Cc1ccccc1OCC1CC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006240 1137325327 /nfs/dbraw/zinc/32/53/27/1137325327.db2.gz JNEKSTWWELYOSW-HXUWFJFHSA-N 1 1 336.435 3.512 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000846009068 1137325357 /nfs/dbraw/zinc/32/53/57/1137325357.db2.gz YHWLTAOOEITMFT-MPGHIAIKSA-N 1 1 344.455 3.672 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000846009068 1137325359 /nfs/dbraw/zinc/32/53/59/1137325359.db2.gz YHWLTAOOEITMFT-MPGHIAIKSA-N 1 1 344.455 3.672 20 30 EHEDMO C[C@H](CCc1cccc(F)c1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846006913 1137325479 /nfs/dbraw/zinc/32/54/79/1137325479.db2.gz LHZQWRBPKPXDAZ-QRWLVFNGSA-N 1 1 326.415 3.684 20 30 EHEDMO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cccc(C#N)c1O ZINC000866250175 1137339324 /nfs/dbraw/zinc/33/93/24/1137339324.db2.gz VVNGUKDQELIMKG-AGRHKRQWSA-N 1 1 340.398 3.974 20 30 EHEDMO COc1cccc2c1OCCC[C@@H]2[NH2+]Cc1cc(C#N)ccc1F ZINC000866304242 1137344063 /nfs/dbraw/zinc/34/40/63/1137344063.db2.gz WHKUUGYWUXCPPO-KRWDZBQOSA-N 1 1 326.371 3.709 20 30 EHEDMO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(OC)c1OC ZINC000866304597 1137344085 /nfs/dbraw/zinc/34/40/85/1137344085.db2.gz ZAGUFVWPBODJIV-QGZVFWFLSA-N 1 1 328.387 3.955 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001171221904 1137348266 /nfs/dbraw/zinc/34/82/66/1137348266.db2.gz WXDRDVPZVPFGPS-OALUTQOASA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCN(Cc2ccccc2)C[C@@H]1C ZINC001171221904 1137348268 /nfs/dbraw/zinc/34/82/68/1137348268.db2.gz WXDRDVPZVPFGPS-OALUTQOASA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[NH+]1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001171222117 1137348313 /nfs/dbraw/zinc/34/83/13/1137348313.db2.gz DXXHDZMWJNPPRZ-LEOXJPRUSA-N 1 1 345.490 3.553 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001171231395 1137355258 /nfs/dbraw/zinc/35/52/58/1137355258.db2.gz IYVOHXIVGPHFTQ-UIFIKXQLSA-N 1 1 331.463 3.557 20 30 EHEDMO Cc1cccnc1O[C@@H]1CCC[N@H+]([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171232795 1137356099 /nfs/dbraw/zinc/35/60/99/1137356099.db2.gz WMKNXSUWBGEHMO-YLJYHZDGSA-N 1 1 335.451 3.736 20 30 EHEDMO N#CC1(Nc2cccc3c2CC[C@H]3[NH3+])CCN(Cc2ccccc2)CC1 ZINC001171276839 1137389137 /nfs/dbraw/zinc/38/91/37/1137389137.db2.gz FAENHGKMUHAYKZ-HXUWFJFHSA-N 1 1 346.478 3.603 20 30 EHEDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2ccc(C(C)(C)CCC#N)cc2)C1 ZINC001148909831 1137437683 /nfs/dbraw/zinc/43/76/83/1137437683.db2.gz XJCATFLHOGJPAB-KRWDZBQOSA-N 1 1 341.499 3.730 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCCC3(CCC3)C2)c1 ZINC000348168118 1137449847 /nfs/dbraw/zinc/44/98/47/1137449847.db2.gz LXYJAYNYZWYQOS-UHFFFAOYSA-N 1 1 339.483 3.816 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(OC(C)=O)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000122943459 1137477265 /nfs/dbraw/zinc/47/72/65/1137477265.db2.gz RNCOLMRINCSTEE-UHFFFAOYSA-N 1 1 340.379 3.708 20 30 EHEDMO C=CC[N@H+](Cc1ccc(OC(C)=O)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000122943459 1137477266 /nfs/dbraw/zinc/47/72/66/1137477266.db2.gz RNCOLMRINCSTEE-UHFFFAOYSA-N 1 1 340.379 3.708 20 30 EHEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC001171571763 1137498757 /nfs/dbraw/zinc/49/87/57/1137498757.db2.gz BCQDXQBLPZAEHR-GOSISDBHSA-N 1 1 348.446 3.549 20 30 EHEDMO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC001171571763 1137498758 /nfs/dbraw/zinc/49/87/58/1137498758.db2.gz BCQDXQBLPZAEHR-GOSISDBHSA-N 1 1 348.446 3.549 20 30 EHEDMO C[C@@H]1C[C@@H](NC(=N)c2ccc3ccccc3n2)C[N@@H+]1Cc1ccccc1 ZINC001171733470 1137505059 /nfs/dbraw/zinc/50/50/59/1137505059.db2.gz TWCOXKAXFNLKLK-VQIMIIECSA-N 1 1 344.462 3.603 20 30 EHEDMO C[C@@H]1C[C@@H](NC(=N)c2ccc3ccccc3n2)C[N@H+]1Cc1ccccc1 ZINC001171733470 1137505061 /nfs/dbraw/zinc/50/50/61/1137505061.db2.gz TWCOXKAXFNLKLK-VQIMIIECSA-N 1 1 344.462 3.603 20 30 EHEDMO C=CC[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC001171847202 1137515765 /nfs/dbraw/zinc/51/57/65/1137515765.db2.gz IUSDCNNDNKRGGD-SUMWQHHRSA-N 1 1 336.838 3.873 20 30 EHEDMO C=CC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC001171847199 1137515797 /nfs/dbraw/zinc/51/57/97/1137515797.db2.gz IUSDCNNDNKRGGD-CXAGYDPISA-N 1 1 336.838 3.873 20 30 EHEDMO C[N@@H+](CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172054325 1137528457 /nfs/dbraw/zinc/52/84/57/1137528457.db2.gz VMXUKXDPJNMHGN-MRXNPFEDSA-N 1 1 335.492 3.934 20 30 EHEDMO N#C[C@@H](CCc1ccccc1)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888574795 1137542302 /nfs/dbraw/zinc/54/23/02/1137542302.db2.gz QDJULEZRYDNDNM-GOSISDBHSA-N 1 1 348.450 3.783 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001172313389 1137546297 /nfs/dbraw/zinc/54/62/97/1137546297.db2.gz WECMESSXGAKRDT-BZNIZROVSA-N 1 1 334.345 3.846 20 30 EHEDMO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC001172314593 1137546518 /nfs/dbraw/zinc/54/65/18/1137546518.db2.gz KROUPKMNNZXEGD-HBGVWJBISA-N 1 1 348.446 3.725 20 30 EHEDMO COC(C[N@@H+](Cc1ccccc1)[C@H](C)Cc1ccc(C#N)cc1)OC ZINC001172316778 1137546689 /nfs/dbraw/zinc/54/66/89/1137546689.db2.gz XIGJUDUOXBOVFF-QGZVFWFLSA-N 1 1 338.451 3.610 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC001172289823 1137548126 /nfs/dbraw/zinc/54/81/26/1137548126.db2.gz IQKYZSQYJODQHY-WMZHIEFXSA-N 1 1 347.506 3.991 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001172357261 1137554256 /nfs/dbraw/zinc/55/42/56/1137554256.db2.gz KQIRSYIGYOWWKK-AEFFLSMTSA-N 1 1 336.524 3.983 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001172357261 1137554257 /nfs/dbraw/zinc/55/42/57/1137554257.db2.gz KQIRSYIGYOWWKK-AEFFLSMTSA-N 1 1 336.524 3.983 20 30 EHEDMO CCCCCCC[C@@H](CC)[NH+]1CC2(C1)[C@@H](CF)CCS2(=O)=O ZINC001172354885 1137554278 /nfs/dbraw/zinc/55/42/78/1137554278.db2.gz LHKCKRGVNNIZRZ-HZPDHXFCSA-N 1 1 333.513 3.584 20 30 EHEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)C(=O)Nc1ccc(C)cc1 ZINC000871873733 1137561646 /nfs/dbraw/zinc/56/16/46/1137561646.db2.gz UMKLYWYGOWHECV-GOSISDBHSA-N 1 1 325.387 3.513 20 30 EHEDMO C[C@@H](CCC#N)C[N@@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000876584498 1137656172 /nfs/dbraw/zinc/65/61/72/1137656172.db2.gz IFMJOOIYFANBKC-HNNXBMFYSA-N 1 1 335.492 3.790 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000877390752 1137675173 /nfs/dbraw/zinc/67/51/73/1137675173.db2.gz UJSQDBNEQNHUML-CQSZACIVSA-N 1 1 331.341 3.962 20 30 EHEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2N(C)C)o1 ZINC000877396363 1137675180 /nfs/dbraw/zinc/67/51/80/1137675180.db2.gz WAGYGOUHDBEQBI-LJQANCHMSA-N 1 1 339.439 3.701 20 30 EHEDMO Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1cc(C#N)cnc1Cl)N(C)C ZINC000877464904 1137677113 /nfs/dbraw/zinc/67/71/13/1137677113.db2.gz OSHAZFNGWSRGQT-KDOFPFPSSA-N 1 1 342.874 3.696 20 30 EHEDMO C[N@H+](Cc1ccccc1CC(F)(F)F)C[C@H](O)c1cccc(C#N)c1 ZINC000877608977 1137682809 /nfs/dbraw/zinc/68/28/09/1137682809.db2.gz BHFYLTFQXYCLCZ-SFHVURJKSA-N 1 1 348.368 3.828 20 30 EHEDMO CC[N@H+](Cc1nnc(-c2cccc(O)c2)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000877992399 1137698681 /nfs/dbraw/zinc/69/86/81/1137698681.db2.gz YWJCSYIEDWEPNU-AWEZNQCLSA-N 1 1 348.406 3.897 20 30 EHEDMO CC[N@@H+](Cc1nnc(-c2cccc(O)c2)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000877992399 1137698682 /nfs/dbraw/zinc/69/86/82/1137698682.db2.gz YWJCSYIEDWEPNU-AWEZNQCLSA-N 1 1 348.406 3.897 20 30 EHEDMO C=CCCC[C@H](C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000878213559 1137707385 /nfs/dbraw/zinc/70/73/85/1137707385.db2.gz HHSIDJOFOQTUPW-PXNSSMCTSA-N 1 1 326.484 3.727 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)C[C@H](C)c1nccs1)c1ccccc1 ZINC000878407309 1137714667 /nfs/dbraw/zinc/71/46/67/1137714667.db2.gz PTINHRRFZOPRTB-KXBFYZLASA-N 1 1 341.480 3.619 20 30 EHEDMO C#CCCCCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000878508787 1137718441 /nfs/dbraw/zinc/71/84/41/1137718441.db2.gz YLHOBCNOFVIOSZ-QGZVFWFLSA-N 1 1 331.460 3.684 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C)c1ccccc1 ZINC000878535157 1137719274 /nfs/dbraw/zinc/71/92/74/1137719274.db2.gz WBJQBFREDXFGBZ-RRQGHBQHSA-N 1 1 338.373 3.700 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCC[N@@H+](CC3(CC#N)CC3)C2)C1 ZINC000878683922 1137724936 /nfs/dbraw/zinc/72/49/36/1137724936.db2.gz ADZXBQQLKGTEKY-DLBZAZTESA-N 1 1 347.503 3.649 20 30 EHEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccccc1OC(C)C)C2 ZINC001137138334 1137729730 /nfs/dbraw/zinc/72/97/30/1137729730.db2.gz XLYFITWALAZKCK-TZIWHRDSSA-N 1 1 345.483 3.800 20 30 EHEDMO C=CCCC[C@H](C(=O)NCc1c[nH+]c2n1CCCC2)c1ccccc1 ZINC000879908298 1137762043 /nfs/dbraw/zinc/76/20/43/1137762043.db2.gz KTISEVFNLWHNKJ-IBGZPJMESA-N 1 1 337.467 3.976 20 30 EHEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](CF)C2)sc2c1CCCC2 ZINC000880233141 1137771633 /nfs/dbraw/zinc/77/16/33/1137771633.db2.gz BKAMJXBFYYVJCM-CYBMUJFWSA-N 1 1 349.475 3.509 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)c(OC(F)F)c1 ZINC000880316788 1137774836 /nfs/dbraw/zinc/77/48/36/1137774836.db2.gz HEGYVTCXNUJNCX-ZDUSSCGKSA-N 1 1 335.379 3.606 20 30 EHEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H](c3nccs3)C2)c1 ZINC000880319956 1137774978 /nfs/dbraw/zinc/77/49/78/1137774978.db2.gz BQNAIQFCHUQGOO-GFCCVEGCSA-N 1 1 348.269 3.767 20 30 EHEDMO C#CCCCCC[N@@H+]1CC[C@@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000880325671 1137775432 /nfs/dbraw/zinc/77/54/32/1137775432.db2.gz BKIISTXRTJNNEV-OAHLLOKOSA-N 1 1 334.485 3.611 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)ccc1O ZINC000131155217 1137847013 /nfs/dbraw/zinc/84/70/13/1137847013.db2.gz NLWCWDFPGXEFDT-UHFFFAOYSA-N 1 1 331.213 3.658 20 30 EHEDMO C=CCC[C@H](Cc1ccccc1)[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000883207351 1137848694 /nfs/dbraw/zinc/84/86/94/1137848694.db2.gz KZOIMSHAWNVOAF-FSSWDIPSSA-N 1 1 342.527 3.531 20 30 EHEDMO N#Cc1ccc(CNc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)s1 ZINC000883345586 1137856182 /nfs/dbraw/zinc/85/61/82/1137856182.db2.gz GKHUEPUSFDWXOF-QGZVFWFLSA-N 1 1 338.480 3.516 20 30 EHEDMO Cc1cccc2ncc(C[N@H+]3CCC[C@@H](Oc4ccccc4C#N)C3)n21 ZINC001137197782 1137873384 /nfs/dbraw/zinc/87/33/84/1137873384.db2.gz LTRZICLCLWOGIN-LJQANCHMSA-N 1 1 346.434 3.558 20 30 EHEDMO CCS[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000331427104 1137908002 /nfs/dbraw/zinc/90/80/02/1137908002.db2.gz CBFNOSXQBJNNIZ-HIFRSBDPSA-N 1 1 349.500 3.703 20 30 EHEDMO CCS[C@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000331427104 1137908003 /nfs/dbraw/zinc/90/80/03/1137908003.db2.gz CBFNOSXQBJNNIZ-HIFRSBDPSA-N 1 1 349.500 3.703 20 30 EHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@]4(CC=CCC4)C3)o2)c1 ZINC000333027465 1137953251 /nfs/dbraw/zinc/95/32/51/1137953251.db2.gz BJHSFWGHGYQOIR-FQEVSTJZSA-N 1 1 334.423 3.931 20 30 EHEDMO CC(C)(C)OC(=O)Nc1ccnc(C[NH2+]Cc2cccc(C#N)c2)c1 ZINC000886265286 1138062677 /nfs/dbraw/zinc/06/26/77/1138062677.db2.gz CYRSTFLSFUBRBS-UHFFFAOYSA-N 1 1 338.411 3.590 20 30 EHEDMO N#CC1(C[C@H](O)C[N@@H+]2CCc3ccc(Cl)c(Cl)c3C2)CCC1 ZINC000886277061 1138063614 /nfs/dbraw/zinc/06/36/14/1138063614.db2.gz FRTQMKVBTOVGNB-ZDUSSCGKSA-N 1 1 339.266 3.796 20 30 EHEDMO N#CC1(C[C@H](O)C[N@H+]2CCc3ccc(Cl)c(Cl)c3C2)CCC1 ZINC000886277061 1138063616 /nfs/dbraw/zinc/06/36/16/1138063616.db2.gz FRTQMKVBTOVGNB-ZDUSSCGKSA-N 1 1 339.266 3.796 20 30 EHEDMO C#CC[C@@H]1CC[N@@H+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000886359524 1138070805 /nfs/dbraw/zinc/07/08/05/1138070805.db2.gz DORZFJJWOVGEEJ-CQSZACIVSA-N 1 1 349.459 3.909 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000886359524 1138070808 /nfs/dbraw/zinc/07/08/08/1138070808.db2.gz DORZFJJWOVGEEJ-CQSZACIVSA-N 1 1 349.459 3.909 20 30 EHEDMO CCC[N@H+](CCCC#N)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000067127673 1138079732 /nfs/dbraw/zinc/07/97/32/1138079732.db2.gz HJKZNNKQTMXIGA-UHFFFAOYSA-N 1 1 328.243 3.948 20 30 EHEDMO CCC[N@@H+](CCCC#N)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000067127673 1138079733 /nfs/dbraw/zinc/07/97/33/1138079733.db2.gz HJKZNNKQTMXIGA-UHFFFAOYSA-N 1 1 328.243 3.948 20 30 EHEDMO CC[C@@](C)([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nccs1 ZINC000072683417 1138107190 /nfs/dbraw/zinc/10/71/90/1138107190.db2.gz IJRYHVJWBHYKAI-MRXNPFEDSA-N 1 1 348.859 3.522 20 30 EHEDMO C[N@@H+](CCCc1ccccc1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075626270 1138128831 /nfs/dbraw/zinc/12/88/31/1138128831.db2.gz UDGSKQYNEKEYCQ-UHFFFAOYSA-N 1 1 332.407 3.673 20 30 EHEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000076388085 1138131200 /nfs/dbraw/zinc/13/12/00/1138131200.db2.gz HRTLNKHEKGRCNI-GDBMZVCRSA-N 1 1 339.464 3.745 20 30 EHEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000076388085 1138131201 /nfs/dbraw/zinc/13/12/01/1138131201.db2.gz HRTLNKHEKGRCNI-GDBMZVCRSA-N 1 1 339.464 3.745 20 30 EHEDMO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000090665211 1138212376 /nfs/dbraw/zinc/21/23/76/1138212376.db2.gz BZBCUSCEBDEZNF-HNAYVOBHSA-N 1 1 342.464 3.786 20 30 EHEDMO CSc1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000122876848 1138263361 /nfs/dbraw/zinc/26/33/61/1138263361.db2.gz OGXGYARDTSJGRT-CQSZACIVSA-N 1 1 339.464 3.912 20 30 EHEDMO CSc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000122876848 1138263362 /nfs/dbraw/zinc/26/33/62/1138263362.db2.gz OGXGYARDTSJGRT-CQSZACIVSA-N 1 1 339.464 3.912 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC2(CCC2)C1 ZINC000123218680 1138267543 /nfs/dbraw/zinc/26/75/43/1138267543.db2.gz GBZGKBSOFRQYBU-HNNXBMFYSA-N 1 1 343.496 3.895 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC2(CCC2)C1 ZINC000123218680 1138267544 /nfs/dbraw/zinc/26/75/44/1138267544.db2.gz GBZGKBSOFRQYBU-HNNXBMFYSA-N 1 1 343.496 3.895 20 30 EHEDMO COc1ccc(C[N@@H+]2CCc3sccc3C2)cc1OCCCC#N ZINC000124296148 1138283476 /nfs/dbraw/zinc/28/34/76/1138283476.db2.gz IQJBDTIJZBSERV-UHFFFAOYSA-N 1 1 342.464 3.998 20 30 EHEDMO COc1ccc(C[N@H+]2CCc3sccc3C2)cc1OCCCC#N ZINC000124296148 1138283478 /nfs/dbraw/zinc/28/34/78/1138283478.db2.gz IQJBDTIJZBSERV-UHFFFAOYSA-N 1 1 342.464 3.998 20 30 EHEDMO C[C@@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCCC[C@@H]1C ZINC000337354167 1138542102 /nfs/dbraw/zinc/54/21/02/1138542102.db2.gz CSZNKWFPQCBVTN-STQMWFEESA-N 1 1 334.851 3.596 20 30 EHEDMO Cc1ccccc1[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000337691717 1138645123 /nfs/dbraw/zinc/64/51/23/1138645123.db2.gz OZBHZICKECHSLL-GOSISDBHSA-N 1 1 333.435 3.685 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000337791854 1138669048 /nfs/dbraw/zinc/66/90/48/1138669048.db2.gz CGHQXNROHWCGMD-IRXDYDNUSA-N 1 1 347.462 3.602 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000337791854 1138669052 /nfs/dbraw/zinc/66/90/52/1138669052.db2.gz CGHQXNROHWCGMD-IRXDYDNUSA-N 1 1 347.462 3.602 20 30 EHEDMO C=CCC[C@H](NC(=O)NC[C@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000337808044 1138673289 /nfs/dbraw/zinc/67/32/89/1138673289.db2.gz MAEXVKMVZJZXQQ-MJGOQNOKSA-N 1 1 329.488 3.725 20 30 EHEDMO CCN(C[C@@H](C)C#N)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000338050710 1138734384 /nfs/dbraw/zinc/73/43/84/1138734384.db2.gz BECGIKSBYRMPPH-SFHVURJKSA-N 1 1 349.478 3.940 20 30 EHEDMO CSC[C@@H]1CCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000135486981 1138754703 /nfs/dbraw/zinc/75/47/03/1138754703.db2.gz AAIQVBJRXNOZSC-HNNXBMFYSA-N 1 1 341.480 3.565 20 30 EHEDMO CC(C)CC[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000338209338 1138788407 /nfs/dbraw/zinc/78/84/07/1138788407.db2.gz UYQPJEUWTNMNHC-GOSISDBHSA-N 1 1 348.512 3.623 20 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ZINC000280083374 1020043809 /nfs/dbraw/zinc/04/38/09/1020043809.db2.gz VYWIMGACDGFYEO-YSIASYRMSA-N 1 1 342.483 3.501 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000602487014 1032917386 /nfs/dbraw/zinc/91/73/86/1032917386.db2.gz SBNXURGRFPKSEP-UWJYYQICSA-N 1 1 349.478 3.974 20 30 EHEDMO C=CCOc1cccc(C[N@@H+]2CCc3c(ccc(OC)c3OC)C2)c1 ZINC000501099079 1020703818 /nfs/dbraw/zinc/70/38/18/1020703818.db2.gz NVIDHZOBRMOAPE-UHFFFAOYSA-N 1 1 339.435 3.827 20 30 EHEDMO C=CCOc1cccc(C[N@H+]2CCc3c(ccc(OC)c3OC)C2)c1 ZINC000501099079 1020703828 /nfs/dbraw/zinc/70/38/28/1020703828.db2.gz NVIDHZOBRMOAPE-UHFFFAOYSA-N 1 1 339.435 3.827 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C1CCC1 ZINC001167464894 1020963352 /nfs/dbraw/zinc/96/33/52/1020963352.db2.gz RVUQIVUMBVVZGH-CYBMUJFWSA-N 1 1 345.512 3.948 20 30 EHEDMO C=CCCCCCNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000581496990 1021014231 /nfs/dbraw/zinc/01/42/31/1021014231.db2.gz IHILKXQCLZGGCB-UHFFFAOYSA-N 1 1 330.476 3.536 20 30 EHEDMO CC(C)[N@H+]1CCCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000458798325 1032954315 /nfs/dbraw/zinc/95/43/15/1032954315.db2.gz HTDWDIGSSWJKAO-IBGZPJMESA-N 1 1 342.487 3.547 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@H](C#N)C2CCCCC2)cc1)C1CC1 ZINC000506514340 1021232855 /nfs/dbraw/zinc/23/28/55/1021232855.db2.gz DISWIKXRZNSZAW-HXUWFJFHSA-N 1 1 339.483 3.873 20 30 EHEDMO COC(=O)[C@H](C)[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000439432607 1021434095 /nfs/dbraw/zinc/43/40/95/1021434095.db2.gz UKNFJZBTCMVTGS-ACJLOTCBSA-N 1 1 342.826 3.852 20 30 EHEDMO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@@H](C)N(C)Cc1ccccc1 ZINC000602574380 1032983763 /nfs/dbraw/zinc/98/37/63/1032983763.db2.gz ZONQYPGTLCYZKA-RTBURBONSA-N 1 1 343.515 3.586 20 30 EHEDMO C=CCC1(NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)CCCC1 ZINC000664925465 1021557026 /nfs/dbraw/zinc/55/70/26/1021557026.db2.gz ZHCFRVKTUMUPRI-UHFFFAOYSA-N 1 1 342.487 3.678 20 30 EHEDMO C[C@@H]1C[C@@H](NC(=O)c2ccccc2Oc2ccccc2C#N)CC[N@H+]1C ZINC000477391405 1021588239 /nfs/dbraw/zinc/58/82/39/1021588239.db2.gz GQFATRKTSLSQTC-WBVHZDCISA-N 1 1 349.434 3.563 20 30 EHEDMO C[C@@H](CCC#N)C[N@@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000602596806 1032993904 /nfs/dbraw/zinc/99/39/04/1032993904.db2.gz RRIJILILGFCLTD-NSHDSACASA-N 1 1 325.225 3.886 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000602596806 1032993912 /nfs/dbraw/zinc/99/39/12/1032993912.db2.gz RRIJILILGFCLTD-NSHDSACASA-N 1 1 325.225 3.886 20 30 EHEDMO COc1ccc(C[NH2+]CC2(C#N)CCCC2)cc1OCCCC#N ZINC000593649361 1032996434 /nfs/dbraw/zinc/99/64/34/1032996434.db2.gz BADZYVYHUFQLJK-UHFFFAOYSA-N 1 1 327.428 3.551 20 30 EHEDMO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)cc1 ZINC000437403034 1021800112 /nfs/dbraw/zinc/80/01/12/1021800112.db2.gz FDDXHJVSZVWANV-UHFFFAOYSA-N 1 1 332.350 3.800 20 30 EHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)cc1 ZINC000437403034 1021800125 /nfs/dbraw/zinc/80/01/25/1021800125.db2.gz FDDXHJVSZVWANV-UHFFFAOYSA-N 1 1 332.350 3.800 20 30 EHEDMO C=CC[C@@H]1CCCN(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000664630735 1021818509 /nfs/dbraw/zinc/81/85/09/1021818509.db2.gz UYHGFDUIANKQMH-KZNAEPCWSA-N 1 1 333.520 3.637 20 30 EHEDMO CC#CCC[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000156613049 1021951407 /nfs/dbraw/zinc/95/14/07/1021951407.db2.gz XENGKVYCPBNPFF-OAHLLOKOSA-N 1 1 329.831 3.983 20 30 EHEDMO C[C@@H](CC1(C#N)CCOCC1)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000602605620 1033021993 /nfs/dbraw/zinc/02/19/93/1033021993.db2.gz SPOQGGNAHFCXFZ-AWEZNQCLSA-N 1 1 338.455 3.962 20 30 EHEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000441339033 1022158814 /nfs/dbraw/zinc/15/88/14/1022158814.db2.gz HAGGVFMENHSAJX-FPOVZHCZSA-N 1 1 343.515 3.693 20 30 EHEDMO Cc1noc(C[C@H]2CCC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)n1 ZINC000933575949 1022215746 /nfs/dbraw/zinc/21/57/46/1022215746.db2.gz ROGGJZKDECEXIF-QGZVFWFLSA-N 1 1 338.455 3.634 20 30 EHEDMO CCC[N@@H+](Cc1cccc(C#N)n1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000602650648 1033040856 /nfs/dbraw/zinc/04/08/56/1033040856.db2.gz FICXTNGETFQBJB-MRXNPFEDSA-N 1 1 336.439 3.583 20 30 EHEDMO C#CCCCCCC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000894431758 1022272925 /nfs/dbraw/zinc/27/29/25/1022272925.db2.gz WMKHLARBGCPBFF-LEWJYISDSA-N 1 1 338.495 3.551 20 30 EHEDMO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(C[N@H+]1CCC[C@](C)(C#N)C1)C2 ZINC000894446966 1022294995 /nfs/dbraw/zinc/29/49/95/1022294995.db2.gz ZJQMHSSGMFBIDZ-KVMCETHSSA-N 1 1 347.503 3.790 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000438043357 1022346396 /nfs/dbraw/zinc/34/63/96/1022346396.db2.gz UKWITRRNGVJANT-ZNMIVQPWSA-N 1 1 346.500 3.685 20 30 EHEDMO CO[C@@H](C)C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C(C)C ZINC000438070925 1022352366 /nfs/dbraw/zinc/35/23/66/1022352366.db2.gz XZSHWSIOEXGVPX-AWEZNQCLSA-N 1 1 329.362 3.682 20 30 EHEDMO CCC[N@@H+](Cc1cc(C#N)ccc1OC)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000438061714 1022362453 /nfs/dbraw/zinc/36/24/53/1022362453.db2.gz KTOKOQFTYWOXEY-QXAKKESOSA-N 1 1 328.456 3.592 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000328768962 1022484144 /nfs/dbraw/zinc/48/41/44/1022484144.db2.gz IFJSDFXKTKSKNA-OAHLLOKOSA-N 1 1 329.444 3.666 20 30 EHEDMO Cc1nc(-c2cccc(NC(=O)CC[N@@H+]3CCCC[C@@H]3C)c2)no1 ZINC000328771488 1022485713 /nfs/dbraw/zinc/48/57/13/1022485713.db2.gz JIARBJZHZJGJKY-ZDUSSCGKSA-N 1 1 328.416 3.898 20 30 EHEDMO Cc1nnc(-c2cccc(NC(=O)CC[N@@H+]3CCCC[C@@H]3C)c2)o1 ZINC000328775129 1022486798 /nfs/dbraw/zinc/48/67/98/1022486798.db2.gz KMWNTMVKGDWJJV-ZDUSSCGKSA-N 1 1 328.416 3.898 20 30 EHEDMO C[C@@]1(CNC(=O)[C@@]2(C)CCC(=O)NC2)CCC[N@H+]1Cc1ccccc1 ZINC000328775847 1022487158 /nfs/dbraw/zinc/48/71/58/1022487158.db2.gz IATIXEJVIXBJJZ-PMACEKPBSA-N 1 1 343.471 3.754 20 30 EHEDMO C[C@H]1C[N@H+](CC(=O)NCc2ccccc2OC2CCCC2)CCCO1 ZINC000328807908 1022492009 /nfs/dbraw/zinc/49/20/09/1022492009.db2.gz DBEHSSVBUHXSPI-INIZCTEOSA-N 1 1 346.471 3.575 20 30 EHEDMO C[C@H]1C[N@@H+](CC(=O)NCc2ccccc2OC2CCCC2)CCCO1 ZINC000328807908 1022492022 /nfs/dbraw/zinc/49/20/22/1022492022.db2.gz DBEHSSVBUHXSPI-INIZCTEOSA-N 1 1 346.471 3.575 20 30 EHEDMO Cc1cc(C)c(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c(=O)[nH]1 ZINC000328903979 1022521573 /nfs/dbraw/zinc/52/15/73/1022521573.db2.gz IQYXLQXGGASFFX-NVXWUHKLSA-N 1 1 339.439 3.544 20 30 EHEDMO C[N@H+]1C[C@H](NC(=O)CCC(=O)NC2CCCC2)[C@H](c2ccccc2)C1 ZINC000328998965 1022563417 /nfs/dbraw/zinc/56/34/17/1022563417.db2.gz GFMZCJGMVOBAOW-ROUUACIJSA-N 1 1 343.471 3.720 20 30 EHEDMO C[C@@H]1C[C@H](NC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)CC[N@H+]1C ZINC000330922566 1022719113 /nfs/dbraw/zinc/71/91/13/1022719113.db2.gz RUNKVUHPAABCMM-TZMCWYRMSA-N 1 1 349.450 3.598 20 30 EHEDMO CC[C@H](C)n1ncc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)c1C ZINC000331101790 1022743752 /nfs/dbraw/zinc/74/37/52/1022743752.db2.gz DIWRJSONYMWBDQ-OFQRWUPVSA-N 1 1 335.496 3.513 20 30 EHEDMO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(C3CCCC3)CC2)C1=O ZINC000610582431 1022792752 /nfs/dbraw/zinc/79/27/52/1022792752.db2.gz HUWBJTMUXBZWLI-QGZVFWFLSA-N 1 1 343.496 3.627 20 30 EHEDMO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H](C)C1 ZINC000127116518 1022876324 /nfs/dbraw/zinc/87/63/24/1022876324.db2.gz MXQPVEBGVIHAEK-LSDHHAIUSA-N 1 1 331.485 3.609 20 30 EHEDMO CC(C)C[N@@H+](CCc1ccccc1)Cc1cnc2ccc(C#N)cn12 ZINC000507755719 1022960308 /nfs/dbraw/zinc/96/03/08/1022960308.db2.gz FDKIMAUTJRTDGG-UHFFFAOYSA-N 1 1 332.451 3.907 20 30 EHEDMO N#Cc1cccc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)n1 ZINC000602713146 1033099165 /nfs/dbraw/zinc/09/91/65/1033099165.db2.gz YHLWLPOLSJCFMX-UHFFFAOYSA-N 1 1 333.313 3.631 20 30 EHEDMO C[C@@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000429600879 1023027518 /nfs/dbraw/zinc/02/75/18/1023027518.db2.gz UZQOGHKJQHZLAP-KGLIPLIRSA-N 1 1 345.512 3.948 20 30 EHEDMO CC1(C)C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000509554996 1023033063 /nfs/dbraw/zinc/03/30/63/1023033063.db2.gz IPROMZMZIUXWPS-UHFFFAOYSA-N 1 1 336.435 3.748 20 30 EHEDMO CC1(C)C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000509554996 1023033077 /nfs/dbraw/zinc/03/30/77/1023033077.db2.gz IPROMZMZIUXWPS-UHFFFAOYSA-N 1 1 336.435 3.748 20 30 EHEDMO N#CC1CCC([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)CC1 ZINC000602717838 1033105712 /nfs/dbraw/zinc/10/57/12/1033105712.db2.gz IQZCKTGAQIVGCT-VEDCXYSMSA-N 1 1 337.511 3.961 20 30 EHEDMO CC[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@@H](O)C(F)(F)F ZINC000189863792 1023123426 /nfs/dbraw/zinc/12/34/26/1023123426.db2.gz VVERTQYKFYQFJW-LLVKDONJSA-N 1 1 333.247 3.590 20 30 EHEDMO CC[N@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@@H](O)C(F)(F)F ZINC000189863792 1023123430 /nfs/dbraw/zinc/12/34/30/1023123430.db2.gz VVERTQYKFYQFJW-LLVKDONJSA-N 1 1 333.247 3.590 20 30 EHEDMO C[NH+](C)[C@H](CNC(=O)C1(C#N)CCCCC1)c1ccccc1Cl ZINC000057419314 1023281682 /nfs/dbraw/zinc/28/16/82/1023281682.db2.gz IKECSXMGXZFINK-MRXNPFEDSA-N 1 1 333.863 3.533 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000337949043 1023325071 /nfs/dbraw/zinc/32/50/71/1023325071.db2.gz ZZBSLSHJZBCDLX-QGZVFWFLSA-N 1 1 347.462 3.603 20 30 EHEDMO Cc1cc(C[NH+]2CCC(F)(C#N)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000510912311 1023385780 /nfs/dbraw/zinc/38/57/80/1023385780.db2.gz AHJQBMFGXYHJEC-UHFFFAOYSA-N 1 1 344.821 3.933 20 30 EHEDMO CCC[N@@H+](C)[C@H](CNC(=O)CCCCC#N)c1ccc(Cl)cc1 ZINC000594025898 1033139431 /nfs/dbraw/zinc/13/94/31/1033139431.db2.gz AQSCHEWMKSKXSC-QGZVFWFLSA-N 1 1 335.879 3.923 20 30 EHEDMO C=CCc1cc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)cc(OC)c1O ZINC000092757840 1023651990 /nfs/dbraw/zinc/65/19/90/1023651990.db2.gz MHYAPCKAKFUOFI-LJQANCHMSA-N 1 1 338.451 3.816 20 30 EHEDMO Cc1ccc(C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C(C)C)s1 ZINC000065162085 1023783318 /nfs/dbraw/zinc/78/33/18/1023783318.db2.gz NJZSRXKKLCFBFQ-UHFFFAOYSA-N 1 1 347.528 3.952 20 30 EHEDMO C[C@H]([NH2+]Cc1cc(O)ccc1Br)c1cccc(C#N)c1 ZINC000610898918 1023857669 /nfs/dbraw/zinc/85/76/69/1023857669.db2.gz ZJIBEXLJYRNMGS-NSHDSACASA-N 1 1 331.213 3.877 20 30 EHEDMO C=C(C)C[N@@H+](C)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000181318083 1023903299 /nfs/dbraw/zinc/90/32/99/1023903299.db2.gz UTVXCJKJLYMSQO-VXGBXAGGSA-N 1 1 331.485 3.678 20 30 EHEDMO C=C(C)C[N@H+](C)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000181318083 1023903304 /nfs/dbraw/zinc/90/33/04/1023903304.db2.gz UTVXCJKJLYMSQO-VXGBXAGGSA-N 1 1 331.485 3.678 20 30 EHEDMO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000895227928 1024002698 /nfs/dbraw/zinc/00/26/98/1024002698.db2.gz GGCBEZGAQVVYFJ-HNNXBMFYSA-N 1 1 339.439 3.779 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000513965807 1024012332 /nfs/dbraw/zinc/01/23/32/1024012332.db2.gz GDCPWAFLGAGMRM-MRXNPFEDSA-N 1 1 333.426 3.896 20 30 EHEDMO C=CCCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001269807074 1024142024 /nfs/dbraw/zinc/14/20/24/1024142024.db2.gz BCCOOMIDAAJWBO-PMACEKPBSA-N 1 1 349.563 3.530 20 30 EHEDMO C=CCCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001269807074 1024142028 /nfs/dbraw/zinc/14/20/28/1024142028.db2.gz BCCOOMIDAAJWBO-PMACEKPBSA-N 1 1 349.563 3.530 20 30 EHEDMO Cc1ccc(-c2ccnn2C)cc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000329815902 1024208624 /nfs/dbraw/zinc/20/86/24/1024208624.db2.gz DRUKMZPWSVCVDM-GASCZTMLSA-N 1 1 326.444 3.856 20 30 EHEDMO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(Oc2ccccn2)CC1 ZINC000329913775 1024246785 /nfs/dbraw/zinc/24/67/85/1024246785.db2.gz OVIHWEDDDZXJCI-OAHLLOKOSA-N 1 1 331.460 3.603 20 30 EHEDMO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC(Oc2ccccn2)CC1 ZINC000329913774 1024247062 /nfs/dbraw/zinc/24/70/62/1024247062.db2.gz OVIHWEDDDZXJCI-HNNXBMFYSA-N 1 1 331.460 3.603 20 30 EHEDMO Cc1ccccc1-n1cc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cn1 ZINC000329959551 1024265660 /nfs/dbraw/zinc/26/56/60/1024265660.db2.gz QRAXMCVVXARURZ-SFHVURJKSA-N 1 1 338.455 3.502 20 30 EHEDMO COc1cccc2c1nc(NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)n2C ZINC000329995521 1024279673 /nfs/dbraw/zinc/27/96/73/1024279673.db2.gz NHOMGFKQOGASSQ-HNNXBMFYSA-N 1 1 342.443 3.577 20 30 EHEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1cc(C)cc(F)c1)C2 ZINC001143587255 1024349221 /nfs/dbraw/zinc/34/92/21/1024349221.db2.gz HXMUBPPIHMTZMR-VQTJNVASSA-N 1 1 333.447 3.708 20 30 EHEDMO Cc1nccn1-c1ccc([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC000330208767 1024355764 /nfs/dbraw/zinc/35/57/64/1024355764.db2.gz BHJXAYIKBXJVLQ-IFXJQAMLSA-N 1 1 338.455 3.825 20 30 EHEDMO Cc1cccnc1OC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000330238048 1024364788 /nfs/dbraw/zinc/36/47/88/1024364788.db2.gz AUDOUXPPWNVOKS-MAUKXSAKSA-N 1 1 345.487 3.768 20 30 EHEDMO C=CCC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000505515642 1024416046 /nfs/dbraw/zinc/41/60/46/1024416046.db2.gz OEBDLAVDMXWXTE-PZJWPPBQSA-N 1 1 326.484 3.681 20 30 EHEDMO C=CCC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000505515640 1024416064 /nfs/dbraw/zinc/41/60/64/1024416064.db2.gz OEBDLAVDMXWXTE-CTNGQTDRSA-N 1 1 326.484 3.681 20 30 EHEDMO C=CCOc1ccc(C[N@H+](CC(=O)N2CCCCC2)C(C)(C)C)cc1 ZINC000474152481 1024426688 /nfs/dbraw/zinc/42/66/88/1024426688.db2.gz JQEGADRAHMRCPA-UHFFFAOYSA-N 1 1 344.499 3.864 20 30 EHEDMO C[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc(C#N)c(F)c1 ZINC000346131202 1024434864 /nfs/dbraw/zinc/43/48/64/1024434864.db2.gz NCNWVCCPJXOEHI-ZDUSSCGKSA-N 1 1 329.394 3.749 20 30 EHEDMO N#CC1(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CCC1 ZINC000346069634 1024501569 /nfs/dbraw/zinc/50/15/69/1024501569.db2.gz LZOXWDNXMSVYTD-KRWDZBQOSA-N 1 1 345.874 3.505 20 30 EHEDMO N#CC1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CCC1 ZINC000346069634 1024501579 /nfs/dbraw/zinc/50/15/79/1024501579.db2.gz LZOXWDNXMSVYTD-KRWDZBQOSA-N 1 1 345.874 3.505 20 30 EHEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc(C#N)cc1C ZINC000280972224 1024509965 /nfs/dbraw/zinc/50/99/65/1024509965.db2.gz IDMVSSSTQPZXHF-TZIWHRDSSA-N 1 1 345.446 3.623 20 30 EHEDMO C=CCc1cccc(C(C)C)c1NC(=O)NCC[N@@H+]1CC=CCC1 ZINC000280973416 1024512210 /nfs/dbraw/zinc/51/22/10/1024512210.db2.gz JDFWQMGPMDSMFT-UHFFFAOYSA-N 1 1 327.472 3.922 20 30 EHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000330308434 1024601753 /nfs/dbraw/zinc/60/17/53/1024601753.db2.gz STPMMQHGNWRNAW-MRXNPFEDSA-N 1 1 329.444 3.666 20 30 EHEDMO COc1ccccc1CCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000505610400 1024637023 /nfs/dbraw/zinc/63/70/23/1024637023.db2.gz QYXHZXHICWUGCP-OAQYLSRUSA-N 1 1 336.435 3.573 20 30 EHEDMO COc1ccccc1CCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000505610400 1024637028 /nfs/dbraw/zinc/63/70/28/1024637028.db2.gz QYXHZXHICWUGCP-OAQYLSRUSA-N 1 1 336.435 3.573 20 30 EHEDMO C=CCCC[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000346450821 1024744494 /nfs/dbraw/zinc/74/44/94/1024744494.db2.gz FQDHDKDRUFXIHF-GFCCVEGCSA-N 1 1 334.370 3.680 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000342312098 1024820709 /nfs/dbraw/zinc/82/07/09/1024820709.db2.gz KCFOUJRIPYEPET-HDICACEKSA-N 1 1 327.472 3.813 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000346535715 1024841309 /nfs/dbraw/zinc/84/13/09/1024841309.db2.gz BLEUBJOVIQTSHO-QAPCUYQASA-N 1 1 327.472 3.671 20 30 EHEDMO C[N@@H+](CCCNC(=O)c1ccc(C(C)(C)C#N)cc1)Cc1ccccc1 ZINC000474394231 1024864542 /nfs/dbraw/zinc/86/45/42/1024864542.db2.gz TWAWMYZDPLLNAT-UHFFFAOYSA-N 1 1 349.478 3.740 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(Br)cn1 ZINC000425365200 1024867160 /nfs/dbraw/zinc/86/71/60/1024867160.db2.gz JHXFZXPKIJZYJQ-LBPRGKRZSA-N 1 1 330.229 3.909 20 30 EHEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000187754802 1024887787 /nfs/dbraw/zinc/88/77/87/1024887787.db2.gz HSJRJYNNDNCUMI-IBGZPJMESA-N 1 1 346.377 3.819 20 30 EHEDMO C[C@@H](c1ccccc1F)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000071948303 1024895337 /nfs/dbraw/zinc/89/53/37/1024895337.db2.gz DDQZMIZSYFGYOO-AWEZNQCLSA-N 1 1 327.378 3.720 20 30 EHEDMO N#Cc1ccc(Oc2ccc(NC(=O)[C@@]34CC[N@@H+](C3)CCC4)cc2)cc1 ZINC000895904078 1024961463 /nfs/dbraw/zinc/96/14/63/1024961463.db2.gz SLRDKVZIYHBLDW-NRFANRHFSA-N 1 1 347.418 3.775 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(F)cc1F ZINC000051376993 1025039504 /nfs/dbraw/zinc/03/95/04/1025039504.db2.gz CVHPJWVLHSAHFG-LJQANCHMSA-N 1 1 330.378 3.782 20 30 EHEDMO CCOC(=O)[C@@H](CC)[N@H+](Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000469712099 1025073320 /nfs/dbraw/zinc/07/33/20/1025073320.db2.gz ZFNRWWPUXFMUEJ-GOSISDBHSA-N 1 1 328.456 3.794 20 30 EHEDMO CCOC(=O)[C@@H](CC)[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000469712099 1025073328 /nfs/dbraw/zinc/07/33/28/1025073328.db2.gz ZFNRWWPUXFMUEJ-GOSISDBHSA-N 1 1 328.456 3.794 20 30 EHEDMO N#Cc1ccc(C2CC[NH+](Cc3cc(-c4ccco4)on3)CC2)nc1 ZINC000602912052 1033260941 /nfs/dbraw/zinc/26/09/41/1033260941.db2.gz JOKXIZBWZILRIJ-UHFFFAOYSA-N 1 1 334.379 3.581 20 30 EHEDMO CCCc1nc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)cs1 ZINC000602914129 1033263750 /nfs/dbraw/zinc/26/37/50/1033263750.db2.gz YOZLEKGWZKYREP-UHFFFAOYSA-N 1 1 326.469 3.742 20 30 EHEDMO C=CCS(=O)(=O)CC[NH2+][C@H](CC)c1ccc(Cl)cc1Cl ZINC000783532677 1025171617 /nfs/dbraw/zinc/17/16/17/1025171617.db2.gz SVJPWKOPHPDFOT-CQSZACIVSA-N 1 1 336.284 3.635 20 30 EHEDMO N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000142049847 1025292367 /nfs/dbraw/zinc/29/23/67/1025292367.db2.gz MUNJTZSFJWDZHF-SFHVURJKSA-N 1 1 345.446 3.536 20 30 EHEDMO C=CCCC[N@@H+](C)[C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000346961728 1025334609 /nfs/dbraw/zinc/33/46/09/1025334609.db2.gz ISSDOZSSAATSBL-CYBMUJFWSA-N 1 1 328.412 3.860 20 30 EHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000346961728 1025334619 /nfs/dbraw/zinc/33/46/19/1025334619.db2.gz ISSDOZSSAATSBL-CYBMUJFWSA-N 1 1 328.412 3.860 20 30 EHEDMO C[N@H+](CC(=O)Nc1ccccc1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000046527984 1033275272 /nfs/dbraw/zinc/27/52/72/1033275272.db2.gz SSCMRKOPLWDAKX-UHFFFAOYSA-N 1 1 335.451 3.926 20 30 EHEDMO C[N@@H+](CC(=O)Nc1ccccc1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000046527984 1033275286 /nfs/dbraw/zinc/27/52/86/1033275286.db2.gz SSCMRKOPLWDAKX-UHFFFAOYSA-N 1 1 335.451 3.926 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000438987322 1025360261 /nfs/dbraw/zinc/36/02/61/1025360261.db2.gz TYHUWBBOHDTXKJ-LJQANCHMSA-N 1 1 339.483 3.641 20 30 EHEDMO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000896497052 1025500577 /nfs/dbraw/zinc/50/05/77/1025500577.db2.gz JYZOPBAWBVEEEN-GCJKJVERSA-N 1 1 346.474 3.793 20 30 EHEDMO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000896497050 1025500968 /nfs/dbraw/zinc/50/09/68/1025500968.db2.gz JYZOPBAWBVEEEN-AVRDEDQJSA-N 1 1 346.474 3.793 20 30 EHEDMO COc1cc(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)ccc1C#N ZINC000442809623 1025505665 /nfs/dbraw/zinc/50/56/65/1025505665.db2.gz KRTQXYXZDHRDHZ-PKOBYXMFSA-N 1 1 341.499 3.653 20 30 EHEDMO C[N@@H+](CCc1ccc(Br)cc1)Cc1ccc(C#N)cc1 ZINC000521656622 1025573270 /nfs/dbraw/zinc/57/32/70/1025573270.db2.gz STKIFOCOCIGOJE-UHFFFAOYSA-N 1 1 329.241 3.995 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@H](C)S1 ZINC000582217092 1025614688 /nfs/dbraw/zinc/61/46/88/1025614688.db2.gz ADTUQDYJPCNRGQ-PHIMTYICSA-N 1 1 325.275 3.647 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@H](C)S1 ZINC000582217092 1025614693 /nfs/dbraw/zinc/61/46/93/1025614693.db2.gz ADTUQDYJPCNRGQ-PHIMTYICSA-N 1 1 325.275 3.647 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)COc1ccccc1Cl ZINC000425532426 1025659741 /nfs/dbraw/zinc/65/97/41/1025659741.db2.gz BPRLNYLBALVTAN-RHSMWYFYSA-N 1 1 344.842 3.644 20 30 EHEDMO CC(C)(C)OC(=O)N=c1[nH]cc(C[NH2+]Cc2cccc(C#N)c2)s1 ZINC000281901773 1025679969 /nfs/dbraw/zinc/67/99/69/1025679969.db2.gz FQTOFBUWQVJSKI-UHFFFAOYSA-N 1 1 344.440 3.652 20 30 EHEDMO COc1cc(C[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)ccc1C#N ZINC000443066182 1025683940 /nfs/dbraw/zinc/68/39/40/1025683940.db2.gz JGBQLGIDTCSQDO-YWMUFLPLSA-N 1 1 340.467 3.736 20 30 EHEDMO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425536446 1025688072 /nfs/dbraw/zinc/68/80/72/1025688072.db2.gz OOWOBAHPJQEUFH-QZTJIDSGSA-N 1 1 349.478 3.607 20 30 EHEDMO Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425536446 1025688080 /nfs/dbraw/zinc/68/80/80/1025688080.db2.gz OOWOBAHPJQEUFH-QZTJIDSGSA-N 1 1 349.478 3.607 20 30 EHEDMO CC(C)[C@H](C)NC(=O)C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000135015861 1025704596 /nfs/dbraw/zinc/70/45/96/1025704596.db2.gz UGDAQFBTAHJCED-INIZCTEOSA-N 1 1 346.902 3.564 20 30 EHEDMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1ccccc1Br ZINC000152533701 1026241486 /nfs/dbraw/zinc/24/14/86/1026241486.db2.gz PMKZTDQTYUXBTI-UHFFFAOYSA-N 1 1 325.250 3.676 20 30 EHEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000934472417 1026293091 /nfs/dbraw/zinc/29/30/91/1026293091.db2.gz OAVRZBXZOMBRPI-APWZRJJASA-N 1 1 326.465 3.604 20 30 EHEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000934472417 1026293104 /nfs/dbraw/zinc/29/31/04/1026293104.db2.gz OAVRZBXZOMBRPI-APWZRJJASA-N 1 1 326.465 3.604 20 30 EHEDMO COC(=O)[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1c1ccccc1 ZINC000452005671 1026443554 /nfs/dbraw/zinc/44/35/54/1026443554.db2.gz MRNOXSKPXNEJOE-QZTJIDSGSA-N 1 1 328.456 3.595 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)C(C)C ZINC000342627210 1026512620 /nfs/dbraw/zinc/51/26/20/1026512620.db2.gz BWIIUUFFTGARCA-UHFFFAOYSA-N 1 1 338.455 3.635 20 30 EHEDMO C[C@H]([NH2+]C1(CN[C@@H]2CCC[C@@H](C#N)C2)CCOCC1)c1ccccc1 ZINC000248831101 1026522183 /nfs/dbraw/zinc/52/21/83/1026522183.db2.gz MMMKEFFMLKSFTO-NLWGTHIKSA-N 1 1 341.499 3.558 20 30 EHEDMO Cc1cccc([C@@H]2CCCCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000609801308 1026564150 /nfs/dbraw/zinc/56/41/50/1026564150.db2.gz KWRFCUMJEKGVMI-FPOVZHCZSA-N 1 1 341.499 3.967 20 30 EHEDMO N#Cc1c(C#N)c(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)nc2c1CCCCCC2 ZINC000479372859 1026601913 /nfs/dbraw/zinc/60/19/13/1026601913.db2.gz FROHFFFPNIPXOU-UXHICEINSA-N 1 1 349.482 3.523 20 30 EHEDMO N#CCc1ccc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000342702584 1026769675 /nfs/dbraw/zinc/76/96/75/1026769675.db2.gz ZDWRWEKIESEJHZ-GOSISDBHSA-N 1 1 326.465 3.995 20 30 EHEDMO N#Cc1c(Cl)cccc1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000023994652 1026774091 /nfs/dbraw/zinc/77/40/91/1026774091.db2.gz RHLHIUFYMZLRDE-INIZCTEOSA-N 1 1 341.842 3.525 20 30 EHEDMO N#Cc1c(Cl)cccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000023994652 1026774095 /nfs/dbraw/zinc/77/40/95/1026774095.db2.gz RHLHIUFYMZLRDE-INIZCTEOSA-N 1 1 341.842 3.525 20 30 EHEDMO N#Cc1ccc(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)c(F)c1 ZINC000531405721 1026886051 /nfs/dbraw/zinc/88/60/51/1026886051.db2.gz LLZRWIQMJLPOBZ-OAQYLSRUSA-N 1 1 338.426 3.959 20 30 EHEDMO CC[C@H](C#N)Oc1cc(CNc2nc(C)[nH+]c(C)c2C)ccc1OC ZINC000301708580 1026909839 /nfs/dbraw/zinc/90/98/39/1026909839.db2.gz WQTJRZUVBHNDTD-MRXNPFEDSA-N 1 1 340.427 3.704 20 30 EHEDMO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518518 1026915776 /nfs/dbraw/zinc/91/57/76/1026915776.db2.gz KMIVATVGAPGQMO-SFHVURJKSA-N 1 1 349.478 3.816 20 30 EHEDMO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046518518 1026915783 /nfs/dbraw/zinc/91/57/83/1026915783.db2.gz KMIVATVGAPGQMO-SFHVURJKSA-N 1 1 349.478 3.816 20 30 EHEDMO N#Cc1ccc(CN2CCC[N@H+](C[C@H]3CCC(F)(F)C3)CC2)cc1 ZINC000340276336 1026942374 /nfs/dbraw/zinc/94/23/74/1026942374.db2.gz DTJGSIVEDFDAKJ-SFHVURJKSA-N 1 1 333.426 3.501 20 30 EHEDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000582697980 1026968579 /nfs/dbraw/zinc/96/85/79/1026968579.db2.gz PUYISFUODXXVJX-HNNXBMFYSA-N 1 1 339.405 3.741 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC2(CCC2)C1 ZINC000123132668 1027000267 /nfs/dbraw/zinc/00/02/67/1027000267.db2.gz MOOQMILMSGQFIE-OAHLLOKOSA-N 1 1 343.496 3.753 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC2(CCC2)C1 ZINC000123132668 1027000275 /nfs/dbraw/zinc/00/02/75/1027000275.db2.gz MOOQMILMSGQFIE-OAHLLOKOSA-N 1 1 343.496 3.753 20 30 EHEDMO CC[N@@H+](CCCSCC#N)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000074989935 1027093651 /nfs/dbraw/zinc/09/36/51/1027093651.db2.gz QDKJPFRVORIIQG-HKUYNNGSSA-N 1 1 331.529 3.791 20 30 EHEDMO CCN(CCCSCC#N)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000074989935 1027093661 /nfs/dbraw/zinc/09/36/61/1027093661.db2.gz QDKJPFRVORIIQG-HKUYNNGSSA-N 1 1 331.529 3.791 20 30 EHEDMO CCN(CCCSCC#N)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000074989935 1027093672 /nfs/dbraw/zinc/09/36/72/1027093672.db2.gz QDKJPFRVORIIQG-HKUYNNGSSA-N 1 1 331.529 3.791 20 30 EHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](CC)C2CCCC2)cc1 ZINC000047966518 1027140899 /nfs/dbraw/zinc/14/08/99/1027140899.db2.gz KICZSCDMUSKQNG-UHFFFAOYSA-N 1 1 343.471 3.596 20 30 EHEDMO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000501284404 1027167813 /nfs/dbraw/zinc/16/78/13/1027167813.db2.gz ONZROMFQYOIXRL-INIZCTEOSA-N 1 1 342.826 3.874 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000501284404 1027167828 /nfs/dbraw/zinc/16/78/28/1027167828.db2.gz ONZROMFQYOIXRL-INIZCTEOSA-N 1 1 342.826 3.874 20 30 EHEDMO CCCCOc1cc(C[NH+]2CCC(C#N)(COC)CC2)ccc1OC ZINC000342840536 1027579348 /nfs/dbraw/zinc/57/93/48/1027579348.db2.gz RPKXARCNECGOMZ-UHFFFAOYSA-N 1 1 346.471 3.626 20 30 EHEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000282010226 1027744838 /nfs/dbraw/zinc/74/48/38/1027744838.db2.gz JNWAHMDXFCTPDN-GOSISDBHSA-N 1 1 337.442 3.590 20 30 EHEDMO CSc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026329966 1027767736 /nfs/dbraw/zinc/76/77/36/1027767736.db2.gz YGLVBSSNHYWDQJ-CQSZACIVSA-N 1 1 339.464 3.739 20 30 EHEDMO CSc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026329966 1027767756 /nfs/dbraw/zinc/76/77/56/1027767756.db2.gz YGLVBSSNHYWDQJ-CQSZACIVSA-N 1 1 339.464 3.739 20 30 EHEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000533436124 1027878714 /nfs/dbraw/zinc/87/87/14/1027878714.db2.gz UTILTDPFIKZBGA-LPHOPBHVSA-N 1 1 333.435 3.765 20 30 EHEDMO C[C@@H]1C[C@H](CO)C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000420941038 1027893072 /nfs/dbraw/zinc/89/30/72/1027893072.db2.gz NKUQMTBLVKAWRD-UXHICEINSA-N 1 1 348.490 3.837 20 30 EHEDMO CC[N@@H+](Cc1cc(C(=O)OC)oc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000143386249 1027909125 /nfs/dbraw/zinc/90/91/25/1027909125.db2.gz UDASGGBBEHNZHS-ZDUSSCGKSA-N 1 1 326.396 3.829 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420943195 1027939778 /nfs/dbraw/zinc/93/97/78/1027939778.db2.gz HVRZZQPCFUWGLX-AWEZNQCLSA-N 1 1 339.361 3.551 20 30 EHEDMO Cc1cc(C)c2ncc(C#N)c(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000091480227 1028077208 /nfs/dbraw/zinc/07/72/08/1028077208.db2.gz OXSZBOOSSQWRFK-OAHLLOKOSA-N 1 1 331.423 3.830 20 30 EHEDMO N#Cc1ccc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1F ZINC000347343072 1028096788 /nfs/dbraw/zinc/09/67/88/1028096788.db2.gz PYKXYIOPUOJEAO-DOTOQJQBSA-N 1 1 342.439 3.698 20 30 EHEDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444689805 1028160388 /nfs/dbraw/zinc/16/03/88/1028160388.db2.gz PINGAFDRMXVJAN-WOJBJXKFSA-N 1 1 347.506 3.911 20 30 EHEDMO C[C@@H]1[C@@H](C)[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCN1C ZINC000444689805 1028160391 /nfs/dbraw/zinc/16/03/91/1028160391.db2.gz PINGAFDRMXVJAN-WOJBJXKFSA-N 1 1 347.506 3.911 20 30 EHEDMO C[C@@H]1[C@@H](C)[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCN1C ZINC000444689805 1028160394 /nfs/dbraw/zinc/16/03/94/1028160394.db2.gz PINGAFDRMXVJAN-WOJBJXKFSA-N 1 1 347.506 3.911 20 30 EHEDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444689804 1028160672 /nfs/dbraw/zinc/16/06/72/1028160672.db2.gz PINGAFDRMXVJAN-VQTJNVASSA-N 1 1 347.506 3.911 20 30 EHEDMO C[C@@H]1[C@H](C)N(C)CC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444689804 1028160679 /nfs/dbraw/zinc/16/06/79/1028160679.db2.gz PINGAFDRMXVJAN-VQTJNVASSA-N 1 1 347.506 3.911 20 30 EHEDMO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444689804 1028160691 /nfs/dbraw/zinc/16/06/91/1028160691.db2.gz PINGAFDRMXVJAN-VQTJNVASSA-N 1 1 347.506 3.911 20 30 EHEDMO COc1cc2[nH+]c(NCc3ccccc3C#N)ccc2c(OC)c1OC ZINC001167635548 1028182301 /nfs/dbraw/zinc/18/23/01/1028182301.db2.gz PKTYBRMRBLAJNI-UHFFFAOYSA-N 1 1 349.390 3.744 20 30 EHEDMO CCN(CC)[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)c1ccccc1 ZINC000324055350 1028198054 /nfs/dbraw/zinc/19/80/54/1028198054.db2.gz VIRIUHYWCPXYRJ-FQEVSTJZSA-N 1 1 325.431 3.870 20 30 EHEDMO C=CC[C@@H]1[N@@H+](Cc2cc(=O)n3c(C)cccc3n2)CCCC1(C)C ZINC000444783513 1028282422 /nfs/dbraw/zinc/28/24/22/1028282422.db2.gz KQWCZRNZIUSOBG-KRWDZBQOSA-N 1 1 325.456 3.570 20 30 EHEDMO C=C(CC)CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455525716 1028299299 /nfs/dbraw/zinc/29/92/99/1028299299.db2.gz RQWRGTXWNYXCGP-WOJBJXKFSA-N 1 1 341.499 3.649 20 30 EHEDMO C#CCOc1ccccc1CN[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000729682065 1028414690 /nfs/dbraw/zinc/41/46/90/1028414690.db2.gz UCQUGTSSAZKPMH-RXVVDRJESA-N 1 1 334.463 3.624 20 30 EHEDMO C#CCOc1ccccc1CN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000729682065 1028414696 /nfs/dbraw/zinc/41/46/96/1028414696.db2.gz UCQUGTSSAZKPMH-RXVVDRJESA-N 1 1 334.463 3.624 20 30 EHEDMO C[C@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000423477873 1028460469 /nfs/dbraw/zinc/46/04/69/1028460469.db2.gz SNYXGMKUINKRLP-PAXLWEDBSA-N 1 1 337.442 3.741 20 30 EHEDMO C=C1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000523606793 1028463937 /nfs/dbraw/zinc/46/39/37/1028463937.db2.gz VYQNHMWXBMLBCO-DLBZAZTESA-N 1 1 326.484 3.783 20 30 EHEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1cccc(OCCCC#N)c1 ZINC000237521255 1028653171 /nfs/dbraw/zinc/65/31/71/1028653171.db2.gz VTEYGKGBASUCLK-OTWHNJEPSA-N 1 1 343.515 3.825 20 30 EHEDMO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237521255 1028653179 /nfs/dbraw/zinc/65/31/79/1028653179.db2.gz VTEYGKGBASUCLK-OTWHNJEPSA-N 1 1 343.515 3.825 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1 ZINC000245560723 1028842073 /nfs/dbraw/zinc/84/20/73/1028842073.db2.gz NDQXLPRYORHSHU-CBGDNZLLSA-N 1 1 336.435 3.939 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1 ZINC000245560723 1028842096 /nfs/dbraw/zinc/84/20/96/1028842096.db2.gz NDQXLPRYORHSHU-CBGDNZLLSA-N 1 1 336.435 3.939 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCC[C@H](OCC3CC3)C2)cc(OC)c1O ZINC000428406770 1028852668 /nfs/dbraw/zinc/85/26/68/1028852668.db2.gz VWTNPHMWFOWDSN-SFHVURJKSA-N 1 1 331.456 3.520 20 30 EHEDMO COc1cc(C[NH2+]C2(c3nc(C)cs3)CCCC2)ccc1C#N ZINC000440810143 1028943297 /nfs/dbraw/zinc/94/32/97/1028943297.db2.gz QQMZGGZUNPPEHO-UHFFFAOYSA-N 1 1 327.453 3.891 20 30 EHEDMO C=CCCO[C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000249801968 1029024431 /nfs/dbraw/zinc/02/44/31/1029024431.db2.gz DAEWDBFHVYRFCV-SJORKVTESA-N 1 1 330.472 3.838 20 30 EHEDMO CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(F)cc1 ZINC000532929693 1029055505 /nfs/dbraw/zinc/05/55/05/1029055505.db2.gz OIVZGUZIEVOBOA-UHFFFAOYSA-N 1 1 339.414 3.938 20 30 EHEDMO C=CC[N@H+](CCOc1ccc(C#N)cc1OC)Cc1cccc(C#N)c1 ZINC000077272234 1029091713 /nfs/dbraw/zinc/09/17/13/1029091713.db2.gz DVHQTYDJOYGLIZ-UHFFFAOYSA-N 1 1 347.418 3.506 20 30 EHEDMO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000532971831 1029118425 /nfs/dbraw/zinc/11/84/25/1029118425.db2.gz LLMOIXKFQBGMNZ-OLZOCXBDSA-N 1 1 331.485 3.557 20 30 EHEDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000533003659 1029162075 /nfs/dbraw/zinc/16/20/75/1029162075.db2.gz FAPSSGCFSUGKDA-AEFFLSMTSA-N 1 1 346.902 3.708 20 30 EHEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC2(CCCC2)C1 ZINC000445867057 1029197960 /nfs/dbraw/zinc/19/79/60/1029197960.db2.gz RUMHOUABBWVQAF-UHFFFAOYSA-N 1 1 331.847 3.806 20 30 EHEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC2(CCCC2)C1 ZINC000445867057 1029197967 /nfs/dbraw/zinc/19/79/67/1029197967.db2.gz RUMHOUABBWVQAF-UHFFFAOYSA-N 1 1 331.847 3.806 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)cc1 ZINC000245779190 1029285546 /nfs/dbraw/zinc/28/55/46/1029285546.db2.gz TZPKIWLWSOAQBU-CBGDNZLLSA-N 1 1 336.435 3.939 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)cc1 ZINC000245779190 1029285553 /nfs/dbraw/zinc/28/55/53/1029285553.db2.gz TZPKIWLWSOAQBU-CBGDNZLLSA-N 1 1 336.435 3.939 20 30 EHEDMO COc1cc(N[C@H]2CCC[N@@H+](CCCC(C)(C)C#N)C2)cc(OC)c1 ZINC000155212139 1029471816 /nfs/dbraw/zinc/47/18/16/1029471816.db2.gz GWPWFDLVRTXMSD-INIZCTEOSA-N 1 1 345.487 3.910 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000505356515 1029488983 /nfs/dbraw/zinc/48/89/83/1029488983.db2.gz XHKKDQKSAHNJSW-KRWDZBQOSA-N 1 1 336.426 3.568 20 30 EHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2c(C#N)nnc3ccccc32)C1 ZINC000524846481 1029559061 /nfs/dbraw/zinc/55/90/61/1029559061.db2.gz AFUFANCBCHBMSP-DOTOQJQBSA-N 1 1 343.434 3.749 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(Br)cc1F ZINC000615092236 1029561832 /nfs/dbraw/zinc/56/18/32/1029561832.db2.gz OYIARNHTWGVGRL-SNVBAGLBSA-N 1 1 334.192 3.706 20 30 EHEDMO C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3C2CCCC2)c1 ZINC001272123000 1029574301 /nfs/dbraw/zinc/57/43/01/1029574301.db2.gz IZSFWGXAOJUNKV-XPGWFJOJSA-N 1 1 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EHEDMO C=CC[NH+]1CCC(N[C@@H](C)c2sccc2Br)CC1 ZINC000531974819 1030186053 /nfs/dbraw/zinc/18/60/53/1030186053.db2.gz MBWQVJKYSKBLOK-NSHDSACASA-N 1 1 329.307 3.812 20 30 EHEDMO CCCC[N@@H+](CC(=O)NC1(C#N)CCC1)[C@@H](CC)c1ccccc1 ZINC000525886569 1030205518 /nfs/dbraw/zinc/20/55/18/1030205518.db2.gz WYAVXCHYMGAOMN-SFHVURJKSA-N 1 1 327.472 3.802 20 30 EHEDMO C=CC[N@H+](C)C[C@@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000121286771 1030237311 /nfs/dbraw/zinc/23/73/11/1030237311.db2.gz ABSAMYIZWSVSRT-NHCUHLMSSA-N 1 1 325.452 3.580 20 30 EHEDMO C=CCC[C@H](NC(=O)NC[C@@H]1CC[N@H+](CCC)C1)c1ccccc1 ZINC000159134598 1030486719 /nfs/dbraw/zinc/48/67/19/1030486719.db2.gz YETWDZSACVAMRE-HKUYNNGSSA-N 1 1 329.488 3.725 20 30 EHEDMO C=CC[C@@H]1[N@@H+](CCS(=O)(=O)c2ccc(F)cc2)CCCC1(C)C ZINC000447878170 1030558399 /nfs/dbraw/zinc/55/83/99/1030558399.db2.gz KSAFYRHIMOZYTE-KRWDZBQOSA-N 1 1 339.476 3.666 20 30 EHEDMO C=CC[C@@H]1[N@H+](CCS(=O)(=O)c2ccc(F)cc2)CCCC1(C)C ZINC000447878170 1030558422 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C[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]1C ZINC000482865426 1030759618 /nfs/dbraw/zinc/75/96/18/1030759618.db2.gz JUTKMWOBKPHEAU-CHWSQXEVSA-N 1 1 331.485 3.557 20 30 EHEDMO COc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000130542589 1030783556 /nfs/dbraw/zinc/78/35/56/1030783556.db2.gz SKUAHMJGFFJBPS-MRXNPFEDSA-N 1 1 325.368 3.738 20 30 EHEDMO C[C@@H]1[C@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCC[N@H+]1C ZINC000343426625 1030829942 /nfs/dbraw/zinc/82/99/42/1030829942.db2.gz DIIOWOWYWMVIJJ-FOIQADDNSA-N 1 1 349.434 3.563 20 30 EHEDMO O=C(NC1CCOCC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329475261 1030872828 /nfs/dbraw/zinc/87/28/28/1030872828.db2.gz OYWYQKJKGRSZRG-HNNXBMFYSA-N 1 1 331.460 3.629 20 30 EHEDMO Cc1cc(CNC(=O)N[C@H]2CC23CCCCC3)cc(N2CCCC2)[nH+]1 ZINC000329537816 1031040527 /nfs/dbraw/zinc/04/05/27/1031040527.db2.gz BSRLDLVBSXFOOK-KRWDZBQOSA-N 1 1 342.487 3.717 20 30 EHEDMO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1ccccc1C(C)(C)C#N)C2 ZINC000527617795 1031041911 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C[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccc(Br)o1 ZINC000477143780 1031286214 /nfs/dbraw/zinc/28/62/14/1031286214.db2.gz QIYPJHYTJUOPJT-UHFFFAOYSA-N 1 1 349.228 3.815 20 30 EHEDMO C=C(C)CN(CC)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000175505546 1031343405 /nfs/dbraw/zinc/34/34/05/1031343405.db2.gz ZEIMLEKONOJDCN-WBVHZDCISA-N 1 1 335.517 3.739 20 30 EHEDMO C=CC1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000175519975 1031344173 /nfs/dbraw/zinc/34/41/73/1031344173.db2.gz NUZREWGKBRTOEE-FUHWJXTLSA-N 1 1 347.528 3.739 20 30 EHEDMO COC(=O)C1(C#N)CC[NH+](Cc2ccc(-c3ccc(C)cc3)cc2)CC1 ZINC001142310251 1031376030 /nfs/dbraw/zinc/37/60/30/1031376030.db2.gz VMHGNFOSKVCVFA-UHFFFAOYSA-N 1 1 348.446 3.941 20 30 EHEDMO COc1cc(C[NH2+]Cc2ccc(C#N)o2)ccc1OC1CCCC1 ZINC000343622837 1031673820 /nfs/dbraw/zinc/67/38/20/1031673820.db2.gz WAQGCGAMUNKLSN-UHFFFAOYSA-N 1 1 326.396 3.771 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803364 1031699339 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/nfs/dbraw/zinc/39/57/11/1033395711.db2.gz PLFQDYBCPVGVOT-HNNXBMFYSA-N 1 1 337.471 3.656 20 30 EHEDMO C[C@@H]([NH2+]C1(CNC[C@@H](O)CC(C)(C)C#N)CCCC1)c1ccccc1 ZINC000598720290 1033413788 /nfs/dbraw/zinc/41/37/88/1033413788.db2.gz NZTQTDHCJVTOMD-MJGOQNOKSA-N 1 1 343.515 3.540 20 30 EHEDMO N#Cc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(F)c1 ZINC000343806749 1033490387 /nfs/dbraw/zinc/49/03/87/1033490387.db2.gz KZGQYFURJXBHGM-OALUTQOASA-N 1 1 328.362 3.846 20 30 EHEDMO COc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001168291000 1033550380 /nfs/dbraw/zinc/55/03/80/1033550380.db2.gz FPQMJNOPZAMQRK-KNQAVFIVSA-N 1 1 348.446 3.577 20 30 EHEDMO COCc1cc(C#N)ccc1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000603364748 1033573794 /nfs/dbraw/zinc/57/37/94/1033573794.db2.gz VEISSOSQHICMRA-IBGZPJMESA-N 1 1 335.451 3.639 20 30 EHEDMO N#Cc1cnc(N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)c2sccc21 ZINC000603415886 1033598788 /nfs/dbraw/zinc/59/87/88/1033598788.db2.gz NNGFDGJNJZENDG-IRXDYDNUSA-N 1 1 346.459 3.631 20 30 EHEDMO CC(C)(C#N)c1ccc(C[NH2+][C@H](CO)c2ccc(F)cc2F)cc1 ZINC000594993963 1033624243 /nfs/dbraw/zinc/62/42/43/1033624243.db2.gz CWGDVHAMZOMOQD-GOSISDBHSA-N 1 1 330.378 3.589 20 30 EHEDMO Cc1cc(C)c(NC(=O)C[N@H+](C)CCc2ccc(C#N)cc2)c(C)c1 ZINC000595294315 1033720073 /nfs/dbraw/zinc/72/00/73/1033720073.db2.gz LKPVAASXAPEZBK-UHFFFAOYSA-N 1 1 335.451 3.597 20 30 EHEDMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCc2ccc(C#N)cc2)c(C)c1 ZINC000595294315 1033720087 /nfs/dbraw/zinc/72/00/87/1033720087.db2.gz LKPVAASXAPEZBK-UHFFFAOYSA-N 1 1 335.451 3.597 20 30 EHEDMO N#C[C@H](c1ccccc1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000595483387 1033809611 /nfs/dbraw/zinc/80/96/11/1033809611.db2.gz MANNBDSJWRFKLJ-FGZHOGPDSA-N 1 1 331.463 3.849 20 30 EHEDMO Cc1ccc(C[N@H+](C[C@@H](O)COc2ccccc2C#N)C(C)C)s1 ZINC000599273815 1033841976 /nfs/dbraw/zinc/84/19/76/1033841976.db2.gz UQONIWZERJEPPV-QGZVFWFLSA-N 1 1 344.480 3.579 20 30 EHEDMO CC[N@@H+](CCNc1cc(C)c(C#N)c2nc3ccccc3n21)C1CC1 ZINC000608788475 1033898436 /nfs/dbraw/zinc/89/84/36/1033898436.db2.gz MDVHOKSYYLHCFI-UHFFFAOYSA-N 1 1 333.439 3.564 20 30 EHEDMO Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@H](CC#N)C3)n2)cc1F ZINC000595612003 1033925557 /nfs/dbraw/zinc/92/55/57/1033925557.db2.gz RDVDEMTUPHTQPV-UONOGXRCSA-N 1 1 328.391 3.871 20 30 EHEDMO Cc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@H](CC#N)C3)n2)cc1F ZINC000595612003 1033925572 /nfs/dbraw/zinc/92/55/72/1033925572.db2.gz RDVDEMTUPHTQPV-UONOGXRCSA-N 1 1 328.391 3.871 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C3CCC3)CC2)c(C#N)c1C ZINC000595661330 1033940025 /nfs/dbraw/zinc/94/00/25/1033940025.db2.gz YPUQHTFEGIYHKZ-ZDUSSCGKSA-N 1 1 329.444 3.607 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)CC1CCCC1 ZINC000064020499 1033948139 /nfs/dbraw/zinc/94/81/39/1033948139.db2.gz SOVWMGAGGRWILS-LBPRGKRZSA-N 1 1 331.485 3.557 20 30 EHEDMO CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000603822099 1033951855 /nfs/dbraw/zinc/95/18/55/1033951855.db2.gz CQXYIPZDIAZJMT-BLLLJJGKSA-N 1 1 341.908 3.666 20 30 EHEDMO CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000603822099 1033951868 /nfs/dbraw/zinc/95/18/68/1033951868.db2.gz CQXYIPZDIAZJMT-BLLLJJGKSA-N 1 1 341.908 3.666 20 30 EHEDMO CCC[N@H+](Cc1ccn(CC(F)(F)F)n1)Cc1ccc(C#N)cc1 ZINC000450259295 1033980841 /nfs/dbraw/zinc/98/08/41/1033980841.db2.gz FFXHTDZDRMLNCR-UHFFFAOYSA-N 1 1 336.361 3.729 20 30 EHEDMO CCC[N@@H+](Cc1ccn(CC(F)(F)F)n1)Cc1ccc(C#N)cc1 ZINC000450259295 1033980846 /nfs/dbraw/zinc/98/08/46/1033980846.db2.gz FFXHTDZDRMLNCR-UHFFFAOYSA-N 1 1 336.361 3.729 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(=O)OCC)cn1 ZINC000450261687 1034000423 /nfs/dbraw/zinc/00/04/23/1034000423.db2.gz PLGSWPPZBVOSRA-UHFFFAOYSA-N 1 1 337.423 3.542 20 30 EHEDMO C=CC[C@H]1CC[N@H+](Cc2oc(-c3ccccc3)nc2C(=O)OCC)C1 ZINC000599526071 1034001038 /nfs/dbraw/zinc/00/10/38/1034001038.db2.gz CZAIKKXWHIMTKK-HNNXBMFYSA-N 1 1 340.423 3.916 20 30 EHEDMO N#CC(CC[N@H+]1CC[C@@H]2COC[C@H]2C1)(c1ccccc1)c1ccccc1 ZINC000595828458 1034013046 /nfs/dbraw/zinc/01/30/46/1034013046.db2.gz FDRNKOVQOHKXOI-WOJBJXKFSA-N 1 1 346.474 3.855 20 30 EHEDMO COC(=O)c1cccc(C[NH2+][C@]2(c3ccccc3)CC2(C)C)c1C#N ZINC000595909498 1034025629 /nfs/dbraw/zinc/02/56/29/1034025629.db2.gz PCURMZMNTOQLJG-NRFANRHFSA-N 1 1 334.419 3.760 20 30 EHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC4CC3(C)C4)sc2C1 ZINC000595915037 1034030537 /nfs/dbraw/zinc/03/05/37/1034030537.db2.gz IEISXYXYAXFXDS-BYKITBGFSA-N 1 1 343.496 3.557 20 30 EHEDMO N#CCSc1ccccc1NC(=O)C[N@@H+](CCC1CC1)CC1CC1 ZINC000595870996 1034031763 /nfs/dbraw/zinc/03/17/63/1034031763.db2.gz IZVDPGRBXNAPQY-UHFFFAOYSA-N 1 1 343.496 3.753 20 30 EHEDMO C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)[C@H]1c1cccc(F)c1 ZINC000472361308 1034120244 /nfs/dbraw/zinc/12/02/44/1034120244.db2.gz RTLNKKAUEMBMJJ-JLTOFOAXSA-N 1 1 337.398 3.719 20 30 EHEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)[C@H]1c1cccc(F)c1 ZINC000472361308 1034120248 /nfs/dbraw/zinc/12/02/48/1034120248.db2.gz RTLNKKAUEMBMJJ-JLTOFOAXSA-N 1 1 337.398 3.719 20 30 EHEDMO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000529519017 1034125124 /nfs/dbraw/zinc/12/51/24/1034125124.db2.gz LUVKCMPEPOYZSP-OAQYLSRUSA-N 1 1 330.435 3.550 20 30 EHEDMO Cc1ccc([C@@H](C)[N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)c(C)c1 ZINC000604080787 1034186218 /nfs/dbraw/zinc/18/62/18/1034186218.db2.gz DLYIXPVHKDHCGH-MJGOQNOKSA-N 1 1 338.451 3.608 20 30 EHEDMO Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@@](C)(C#N)C3)n2)cc1F ZINC000612165956 1034324689 /nfs/dbraw/zinc/32/46/89/1034324689.db2.gz PXDIQYGWMSJHGT-IBGZPJMESA-N 1 1 342.418 3.742 20 30 EHEDMO Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@@](C)(C#N)C3)n2)cc1F ZINC000612165956 1034324701 /nfs/dbraw/zinc/32/47/01/1034324701.db2.gz PXDIQYGWMSJHGT-IBGZPJMESA-N 1 1 342.418 3.742 20 30 EHEDMO C=CCCCCCN(C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472379749 1034363295 /nfs/dbraw/zinc/36/32/95/1034363295.db2.gz DRLCCVJNRAGUGM-HXUWFJFHSA-N 1 1 343.515 3.896 20 30 EHEDMO N#CC1(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000596787278 1034394263 /nfs/dbraw/zinc/39/42/63/1034394263.db2.gz ARNVEDAZINFRGE-IBGZPJMESA-N 1 1 339.483 3.631 20 30 EHEDMO N#CC1(c2ccc(C[N@H+](Cc3ccc(C(N)=O)cc3)C3CC3)cc2)CC1 ZINC000596980712 1034479263 /nfs/dbraw/zinc/47/92/63/1034479263.db2.gz ASJRSPHOZQMLQS-UHFFFAOYSA-N 1 1 345.446 3.505 20 30 EHEDMO COc1cc2c(cc1F)C[N@H+](Cc1ccc(C3(C#N)CC3)cc1)CC2 ZINC000597073137 1034528225 /nfs/dbraw/zinc/52/82/25/1034528225.db2.gz DTFDGQGJRLZIPD-UHFFFAOYSA-N 1 1 336.410 3.948 20 30 EHEDMO COc1cc2c(cc1F)C[N@@H+](Cc1ccc(C3(C#N)CC3)cc1)CC2 ZINC000597073137 1034528232 /nfs/dbraw/zinc/52/82/32/1034528232.db2.gz DTFDGQGJRLZIPD-UHFFFAOYSA-N 1 1 336.410 3.948 20 30 EHEDMO C[C@@]12COC[C@@H]1C[N@@H+](Cc1cccc(OCc3ccccc3C#N)c1)C2 ZINC000597210961 1034596167 /nfs/dbraw/zinc/59/61/67/1034596167.db2.gz JCLOZURALNJEMS-RBBKRZOGSA-N 1 1 348.446 3.606 20 30 EHEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@@H]4COC[C@H]4C3)c2)c1 ZINC000597231077 1034614327 /nfs/dbraw/zinc/61/43/27/1034614327.db2.gz NFEGOMUMSLVMEN-NHCUHLMSSA-N 1 1 348.446 3.606 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H]2CCC[C@H]2C#N)cc1)C(C)C ZINC000601813553 1034746524 /nfs/dbraw/zinc/74/65/24/1034746524.db2.gz UYUVOXPEJBGHGY-OALUTQOASA-N 1 1 327.472 3.681 20 30 EHEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000121787568 1035012236 /nfs/dbraw/zinc/01/22/36/1035012236.db2.gz RTQXUUHFEIRQRG-MRXNPFEDSA-N 1 1 340.448 3.736 20 30 EHEDMO CC(C)(C#N)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000612585473 1035077633 /nfs/dbraw/zinc/07/76/33/1035077633.db2.gz GESXKCGHBPPXRG-UHFFFAOYSA-N 1 1 331.423 3.574 20 30 EHEDMO C=CC[C@@H](Cc1ccccc1)NC(=O)CCn1cc[nH+]c1C(C)C ZINC000413986629 1035329638 /nfs/dbraw/zinc/32/96/38/1035329638.db2.gz MCTRTGRYFPYJAF-SFHVURJKSA-N 1 1 325.456 3.700 20 30 EHEDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccc(C#N)cn1 ZINC000579968690 1035378393 /nfs/dbraw/zinc/37/83/93/1035378393.db2.gz PWUZOYVVYRHPAY-UHFFFAOYSA-N 1 1 349.413 3.547 20 30 EHEDMO C[N@H+](CCOC(C)(C)C)Cc1ccc(Br)cc1C#N ZINC000588202141 1035822716 /nfs/dbraw/zinc/82/27/16/1035822716.db2.gz GZBIWEYPIGHWHC-UHFFFAOYSA-N 1 1 325.250 3.568 20 30 EHEDMO C[N@@H+](CCOC(C)(C)C)Cc1ccc(Br)cc1C#N ZINC000588202141 1035822741 /nfs/dbraw/zinc/82/27/41/1035822741.db2.gz GZBIWEYPIGHWHC-UHFFFAOYSA-N 1 1 325.250 3.568 20 30 EHEDMO C[N@H+]1CC[C@H](CNc2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534978982 1035856284 /nfs/dbraw/zinc/85/62/84/1035856284.db2.gz RIDBDOIRPKAZJD-ACJLOTCBSA-N 1 1 344.821 3.851 20 30 EHEDMO N#Cc1cc(Oc2ccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)ccn1 ZINC000591415114 1035883273 /nfs/dbraw/zinc/88/32/73/1035883273.db2.gz BPNURVSOVJKTDW-AEFFLSMTSA-N 1 1 334.423 3.784 20 30 EHEDMO COC(=O)[C@@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC000452001566 1035945956 /nfs/dbraw/zinc/94/59/56/1035945956.db2.gz FWXWNCOOZJSTSO-UIAACRFSSA-N 1 1 334.419 3.508 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000170627597 1036021689 /nfs/dbraw/zinc/02/16/89/1036021689.db2.gz CSDRNOGTYBMKBL-QFIPXVFZSA-N 1 1 349.478 3.987 20 30 EHEDMO CO[C@H](C)C[N@@H+](Cc1cc(C#N)ccc1Br)C(C)C ZINC000492764236 1036266409 /nfs/dbraw/zinc/26/64/09/1036266409.db2.gz BPDMRFSEZYCHKL-GFCCVEGCSA-N 1 1 325.250 3.566 20 30 EHEDMO Cc1cccc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)c1 ZINC000541394006 1036276018 /nfs/dbraw/zinc/27/60/18/1036276018.db2.gz SRKFNCMFVFSBJJ-QFBILLFUSA-N 1 1 333.435 3.683 20 30 EHEDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1cccc(C#N)c1Cl ZINC001140812118 1036309048 /nfs/dbraw/zinc/30/90/48/1036309048.db2.gz MOMBBNGIVBQFRP-UHFFFAOYSA-N 1 1 337.851 3.558 20 30 EHEDMO C=C[C@H](CC(=O)NCCC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000535371137 1036404686 /nfs/dbraw/zinc/40/46/86/1036404686.db2.gz FMTKEWQWAUPRFG-HXUWFJFHSA-N 1 1 336.479 3.985 20 30 EHEDMO C=CC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000175647861 1036476314 /nfs/dbraw/zinc/47/63/14/1036476314.db2.gz QAIJLFHKGBZNRG-PXNSSMCTSA-N 1 1 341.499 3.647 20 30 EHEDMO C=C(C)C[C@@H](C)C(=O)NC[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000464536661 1036545098 /nfs/dbraw/zinc/54/50/98/1036545098.db2.gz CNINQOGVSZRFRB-YLJYHZDGSA-N 1 1 328.500 3.788 20 30 EHEDMO N#Cc1ccc(O[C@H]2CC[N@H+](C/C=C/c3ccc(Cl)cc3)C2)nc1 ZINC000428813597 1036628483 /nfs/dbraw/zinc/62/84/83/1036628483.db2.gz QBIRZEFBLPJGQX-KROLTMCQSA-N 1 1 339.826 3.773 20 30 EHEDMO COCC[N@@H+](C/C=C\c1ccc(F)cc1F)Cc1ccc(C#N)cc1 ZINC000541773489 1036643717 /nfs/dbraw/zinc/64/37/17/1036643717.db2.gz ZBBJNXJCNNYEPI-IHWYPQMZSA-N 1 1 342.389 3.998 20 30 EHEDMO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428784738 1036703492 /nfs/dbraw/zinc/70/34/92/1036703492.db2.gz PJYKMXYGBXXEHO-IUODEOHRSA-N 1 1 345.805 3.960 20 30 EHEDMO C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428784738 1036703506 /nfs/dbraw/zinc/70/35/06/1036703506.db2.gz PJYKMXYGBXXEHO-IUODEOHRSA-N 1 1 345.805 3.960 20 30 EHEDMO Cc1cc[nH+]c(N2CCN(c3ccc(C#N)cc3C(F)(F)F)CC2)c1 ZINC000153037815 1036731015 /nfs/dbraw/zinc/73/10/15/1036731015.db2.gz FKPWZVZWVYLQEC-UHFFFAOYSA-N 1 1 346.356 3.607 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCCC2(C1)CCCCCC2 ZINC000464769763 1036732000 /nfs/dbraw/zinc/73/20/00/1036732000.db2.gz JUARPGSKJALHKM-HKUYNNGSSA-N 1 1 333.520 3.866 20 30 EHEDMO N#CCCC[C@@H]([NH2+]Cc1nc(-c2ccccn2)no1)c1ccccc1 ZINC000590122484 1036763616 /nfs/dbraw/zinc/76/36/16/1036763616.db2.gz POMKWKVWVNLMDO-MRXNPFEDSA-N 1 1 333.395 3.656 20 30 EHEDMO CC(C)[NH+]1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000103068260 1036800537 /nfs/dbraw/zinc/80/05/37/1036800537.db2.gz WMQLTQJMHUAIID-UHFFFAOYSA-N 1 1 349.434 3.517 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000464824165 1036858200 /nfs/dbraw/zinc/85/82/00/1036858200.db2.gz SFDYKOVGSRWBHL-UXHICEINSA-N 1 1 335.407 3.909 20 30 EHEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC001168184994 1036877331 /nfs/dbraw/zinc/87/73/31/1036877331.db2.gz YZRMLURQICNFPH-VQTJNVASSA-N 1 1 342.483 3.733 20 30 EHEDMO CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428789759 1036949955 /nfs/dbraw/zinc/94/99/55/1036949955.db2.gz PDMVRRMQXGXQHT-ROUUACIJSA-N 1 1 325.387 3.697 20 30 EHEDMO C=CCOc1ccc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000311158369 1036968184 /nfs/dbraw/zinc/96/81/84/1036968184.db2.gz PADDZEUQWHZVKS-NRFANRHFSA-N 1 1 336.479 3.863 20 30 EHEDMO C=CCOc1ccc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311158369 1036968204 /nfs/dbraw/zinc/96/82/04/1036968204.db2.gz PADDZEUQWHZVKS-NRFANRHFSA-N 1 1 336.479 3.863 20 30 EHEDMO C=CCOc1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000311158369 1036968216 /nfs/dbraw/zinc/96/82/16/1036968216.db2.gz PADDZEUQWHZVKS-NRFANRHFSA-N 1 1 336.479 3.863 20 30 EHEDMO CC(C)CSCCC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000443676349 1037045962 /nfs/dbraw/zinc/04/59/62/1037045962.db2.gz VLNWAWSSTQXOKM-UHFFFAOYSA-N 1 1 345.556 3.845 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1ccc(C#N)c(F)c1 ZINC001168191224 1037086486 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342.483 3.795 20 30 EHEDMO C#Cc1ccc(CN(Cc2ccncc2)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000809736089 1135872798 /nfs/dbraw/zinc/87/27/98/1135872798.db2.gz ZXMOKMVGVOZQHQ-QFIPXVFZSA-N 1 1 333.479 3.549 20 30 EHEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000809758195 1135887893 /nfs/dbraw/zinc/88/78/93/1135887893.db2.gz GGJYASOOWIFPGP-VQTJNVASSA-N 1 1 327.468 3.727 20 30 EHEDMO COc1cc(C[NH2+]Cc2ccc(CSC(F)F)o2)ccc1C#N ZINC000810169448 1135929956 /nfs/dbraw/zinc/92/99/56/1135929956.db2.gz XVKVVYIQQABUOP-UHFFFAOYSA-N 1 1 338.379 3.905 20 30 EHEDMO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](CCCc1ccccc1)CC2 ZINC001201659646 1136052919 /nfs/dbraw/zinc/05/29/19/1136052919.db2.gz BESSCIFBSAMDTR-OAQYLSRUSA-N 1 1 326.484 3.652 20 30 EHEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](CCCc1ccccc1)CCO2 ZINC001201661501 1136053172 /nfs/dbraw/zinc/05/31/72/1136053172.db2.gz AIMZRNHFWXIXRH-NHCUHLMSSA-N 1 1 329.484 3.693 20 30 EHEDMO CCCCCCCC[N@H+]1CC[C@H]2[C@H]1CCN2C(=O)c1cscn1 ZINC001201825609 1136067602 /nfs/dbraw/zinc/06/76/02/1136067602.db2.gz AMWXSILPRRWIRQ-SJORKVTESA-N 1 1 335.517 3.792 20 30 EHEDMO CC(C)[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CCCC1 ZINC000108365168 1136185847 /nfs/dbraw/zinc/18/58/47/1136185847.db2.gz VMCCHTBYVOAROV-KRWDZBQOSA-N 1 1 348.450 3.877 20 30 EHEDMO CC(C)([NH2+]Cc1cncc(C#N)c1)c1ccccc1Br ZINC000930233450 1136398182 /nfs/dbraw/zinc/39/81/82/1136398182.db2.gz QSLQVUHRCXXSOL-UHFFFAOYSA-N 1 1 330.229 3.741 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)Cc2ccccc2O1 ZINC000814177983 1136411367 /nfs/dbraw/zinc/41/13/67/1136411367.db2.gz XTCHOMPGDDACNQ-KRWDZBQOSA-N 1 1 335.451 3.820 20 30 EHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000216824009 1136420807 /nfs/dbraw/zinc/42/08/07/1136420807.db2.gz RVXGPQDXQNQPDA-GFCCVEGCSA-N 1 1 330.350 3.810 20 30 EHEDMO COCc1ccccc1/C=C(\C)C=[NH+]n1cc(Br)cn1 ZINC000814224071 1136425002 /nfs/dbraw/zinc/42/50/02/1136425002.db2.gz ARPISKGUWWWJAP-AXFGUZBISA-N 1 1 334.217 3.729 20 30 EHEDMO N#Cc1cccc(C2([NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)CC2)c1 ZINC000747924731 1136427772 /nfs/dbraw/zinc/42/77/72/1136427772.db2.gz VSNSSDYLHWRFKI-UHFFFAOYSA-N 1 1 327.771 3.899 20 30 EHEDMO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)CC1 ZINC001170738527 1136437685 /nfs/dbraw/zinc/43/76/85/1136437685.db2.gz IXFJKUVDNIHBLF-NNZMDNLPSA-N 1 1 346.515 3.922 20 30 EHEDMO COc1cccc(CCC[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852328903 1136449342 /nfs/dbraw/zinc/44/93/42/1136449342.db2.gz PFMRVNZJRABAOP-OAQYLSRUSA-N 1 1 335.451 3.580 20 30 EHEDMO COc1cccc(CCC[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852328903 1136449344 /nfs/dbraw/zinc/44/93/44/1136449344.db2.gz PFMRVNZJRABAOP-OAQYLSRUSA-N 1 1 335.451 3.580 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC(CCC[N@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000852687974 1136477982 /nfs/dbraw/zinc/47/79/82/1136477982.db2.gz XMMFEPWJMIEKNR-IBGZPJMESA-N 1 1 335.492 3.649 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000814642048 1136488263 /nfs/dbraw/zinc/48/82/63/1136488263.db2.gz MKNKRTPKLNHXSE-UXHICEINSA-N 1 1 334.419 3.652 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000814642048 1136488267 /nfs/dbraw/zinc/48/82/67/1136488267.db2.gz MKNKRTPKLNHXSE-UXHICEINSA-N 1 1 334.419 3.652 20 30 EHEDMO C#CC[N@H+](CCC(=O)N1CCc2ccccc21)[C@@H]1CCc2ccccc21 ZINC000110981754 1136494481 /nfs/dbraw/zinc/49/44/81/1136494481.db2.gz GGHGFKUTPXIJOV-JOCHJYFZSA-N 1 1 344.458 3.589 20 30 EHEDMO C[C@@H]1C(N=Nc2cncc(Cl)n2)CCC[N@H+]1Cc1ccccc1 ZINC000814797974 1136506425 /nfs/dbraw/zinc/50/64/25/1136506425.db2.gz UCWKWDCEXLPGFS-CYBMUJFWSA-N 1 1 329.835 3.582 20 30 EHEDMO CC(N=Nc1ccc(Br)nc1)c1ccc(C[NH+](C)C)cc1 ZINC000814847600 1136515206 /nfs/dbraw/zinc/51/52/06/1136515206.db2.gz VEAGNFQKEOZEAN-UHFFFAOYSA-N 1 1 347.260 3.742 20 30 EHEDMO C[C@@H]1C(N=Nc2nccnc2Cl)CCC[N@H+]1Cc1ccccc1 ZINC000814850689 1136515736 /nfs/dbraw/zinc/51/57/36/1136515736.db2.gz ZDBQSBNTIAYQGR-CYBMUJFWSA-N 1 1 329.835 3.582 20 30 EHEDMO C=CCC(F)(F)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000815024843 1136538809 /nfs/dbraw/zinc/53/88/09/1136538809.db2.gz AWEFYYKSPRWNFA-HNNXBMFYSA-N 1 1 336.426 3.889 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000853525871 1136541032 /nfs/dbraw/zinc/54/10/32/1136541032.db2.gz JCJFCLBXRLGNGO-OAHLLOKOSA-N 1 1 326.469 3.898 20 30 EHEDMO C=CCC(F)(F)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000815868937 1136644140 /nfs/dbraw/zinc/64/41/40/1136644140.db2.gz DLHFKRIEPXLZQC-DOTOQJQBSA-N 1 1 336.426 3.615 20 30 EHEDMO C[C@]1(COC(=O)CC2(C#N)CC2)CCCC[N@H+]1Cc1ccccc1 ZINC000816012848 1136659381 /nfs/dbraw/zinc/65/93/81/1136659381.db2.gz XZBQYVSTUQLKSO-LJQANCHMSA-N 1 1 326.440 3.668 20 30 EHEDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000776788034 1136665841 /nfs/dbraw/zinc/66/58/41/1136665841.db2.gz ZPKSXPOMXXUHRH-FQEVSTJZSA-N 1 1 341.499 3.775 20 30 EHEDMO C=CCn1c(=S)n(C[N@@H+]2CC[C@H](C3CCCC3)C2)nc1C1CC1 ZINC000817368837 1136800711 /nfs/dbraw/zinc/80/07/11/1136800711.db2.gz MNJZZVZCWXUIDR-INIZCTEOSA-N 1 1 332.517 3.947 20 30 EHEDMO C=CCn1c(=S)n(C[N@H+]2CC[C@H](C3CCCC3)C2)nc1C1CC1 ZINC000817368837 1136800716 /nfs/dbraw/zinc/80/07/16/1136800716.db2.gz MNJZZVZCWXUIDR-INIZCTEOSA-N 1 1 332.517 3.947 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000856759622 1136807669 /nfs/dbraw/zinc/80/76/69/1136807669.db2.gz XGLWEQXIFBVLNJ-KSZLIROESA-N 1 1 327.472 3.608 20 30 EHEDMO C[C@@H](NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)c1cccc(C#N)c1 ZINC000857142520 1136847634 /nfs/dbraw/zinc/84/76/34/1136847634.db2.gz WBUAWFOMGQVHSA-IERDGZPVSA-N 1 1 347.462 3.858 20 30 EHEDMO Cc1c(C#N)cccc1NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857157098 1136848502 /nfs/dbraw/zinc/84/85/02/1136848502.db2.gz FRLKQOPSZOWIKX-LJQANCHMSA-N 1 1 333.435 3.928 20 30 EHEDMO C[N@H+]1CCC[C@@H](c2cccc(C(=O)Nc3cccc(CC#N)c3)c2)C1 ZINC000857281068 1136859670 /nfs/dbraw/zinc/85/96/70/1136859670.db2.gz AUIYXSDIWRQSRY-LJQANCHMSA-N 1 1 333.435 3.814 20 30 EHEDMO COC(OC)c1ccc(F)c(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000818197760 1136865428 /nfs/dbraw/zinc/86/54/28/1136865428.db2.gz GUKSICKFESFGRD-UHFFFAOYSA-N 1 1 340.398 3.768 20 30 EHEDMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)nc1 ZINC000858013037 1136930936 /nfs/dbraw/zinc/93/09/36/1136930936.db2.gz GDTZMMJHAAYQSX-LJQANCHMSA-N 1 1 333.435 3.599 20 30 EHEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000858511638 1136975276 /nfs/dbraw/zinc/97/52/76/1136975276.db2.gz HREXERGKDKKIFJ-KRWDZBQOSA-N 1 1 341.499 3.607 20 30 EHEDMO C#C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000820564347 1136997471 /nfs/dbraw/zinc/99/74/71/1136997471.db2.gz AGZCQUHLAKXEMI-MSOLQXFVSA-N 1 1 347.890 3.530 20 30 EHEDMO C#CCCCOc1cccnc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000820604764 1136999713 /nfs/dbraw/zinc/99/97/13/1136999713.db2.gz LMSKOWAPBVHZGL-IBGZPJMESA-N 1 1 335.451 3.560 20 30 EHEDMO COc1ccc(N2CCC[N@@H+](Cc3ccc(C)c(C#N)c3)CC2)cc1 ZINC000859086875 1137002546 /nfs/dbraw/zinc/00/25/46/1137002546.db2.gz PPQNROQIPPXHFW-UHFFFAOYSA-N 1 1 335.451 3.588 20 30 EHEDMO CC(C)CCOc1ccc(C(=O)/C=C/c2c[nH+]c(N(C)C)n2C)cc1 ZINC000821031912 1137014749 /nfs/dbraw/zinc/01/47/49/1137014749.db2.gz OGZZLAXESUGTLV-DHZHZOJOSA-N 1 1 341.455 3.807 20 30 EHEDMO C=CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000859603594 1137022167 /nfs/dbraw/zinc/02/21/67/1137022167.db2.gz APNHDGXQTGYDIS-QWHCGFSZSA-N 1 1 336.398 3.588 20 30 EHEDMO CC[C@](C)(C(=O)OC)[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)CC1CC1 ZINC000822504325 1137063603 /nfs/dbraw/zinc/06/36/03/1137063603.db2.gz RXKBEKBYHNIDNJ-FOIQADDNSA-N 1 1 344.455 3.531 20 30 EHEDMO N#CCCC[C@H]([NH3+])c1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC000823179834 1137088670 /nfs/dbraw/zinc/08/86/70/1137088670.db2.gz YFLMDTXUDNWOMW-RYUDHWBXSA-N 1 1 342.296 3.841 20 30 EHEDMO N#CCCC[C@H]([NH3+])c1nc(C2(c3ccc(F)cc3F)CCCC2)no1 ZINC000823216304 1137091169 /nfs/dbraw/zinc/09/11/69/1137091169.db2.gz SCRODLZXIXAYLT-HNNXBMFYSA-N 1 1 346.381 3.902 20 30 EHEDMO C[N@H+]1CCCC[C@H]1c1ccc(NC(=N)c2ccc3ccccc3n2)nc1 ZINC001171046189 1137125261 /nfs/dbraw/zinc/12/52/61/1137125261.db2.gz LMYZDVRASFDOHB-IBGZPJMESA-N 1 1 345.450 3.824 20 30 EHEDMO C#CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000824695972 1137148653 /nfs/dbraw/zinc/14/86/53/1137148653.db2.gz FUCADWVCRTZJTA-HBMCJLEFSA-N 1 1 327.468 3.604 20 30 EHEDMO C#CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000824695973 1137148824 /nfs/dbraw/zinc/14/88/24/1137148824.db2.gz FUCADWVCRTZJTA-NJDAHSKKSA-N 1 1 327.468 3.604 20 30 EHEDMO CC(C)(C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1(C)C ZINC001171070586 1137155750 /nfs/dbraw/zinc/15/57/50/1137155750.db2.gz ZAENDOYOLCFVJE-ZWKOTPCHSA-N 1 1 344.499 3.835 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000824893058 1137156071 /nfs/dbraw/zinc/15/60/71/1137156071.db2.gz JISWHBMCXZRXKO-DBVUQKKJSA-N 1 1 340.467 3.759 20 30 EHEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1c[nH]c3cc(C)ccc13)C2 ZINC001136973396 1137161507 /nfs/dbraw/zinc/16/15/07/1137161507.db2.gz WVWKMVHKBMZLKG-NQIIRXRSSA-N 1 1 340.467 3.802 20 30 EHEDMO CCC[N@@H+](C)[C@@H](CNC(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000794500292 1137179672 /nfs/dbraw/zinc/17/96/72/1137179672.db2.gz UKZCBCIVIQJJBP-INIZCTEOSA-N 1 1 345.830 3.618 20 30 EHEDMO CCOC(=O)C[C@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)C[C@H]1C ZINC001143734103 1137193336 /nfs/dbraw/zinc/19/33/36/1137193336.db2.gz BCLXHQPFLUZEJQ-ZIAGYGMSSA-N 1 1 334.847 3.623 20 30 EHEDMO CCOC(=O)C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)C[C@H]1C ZINC001143734103 1137193338 /nfs/dbraw/zinc/19/33/38/1137193338.db2.gz BCLXHQPFLUZEJQ-ZIAGYGMSSA-N 1 1 334.847 3.623 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1c(Cl)cccc1C#N ZINC001143726322 1137194355 /nfs/dbraw/zinc/19/43/55/1137194355.db2.gz MIQPKTCJXWLXAQ-INIZCTEOSA-N 1 1 339.870 3.918 20 30 EHEDMO C[N@@H+](CCCSCc1ccccc1)C[C@H](O)c1cccc(C#N)c1 ZINC000844366733 1137215876 /nfs/dbraw/zinc/21/58/76/1137215876.db2.gz OPWNCHLOHUROSD-FQEVSTJZSA-N 1 1 340.492 3.847 20 30 EHEDMO C[N@@H+](CCc1c(F)cccc1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369279 1137215980 /nfs/dbraw/zinc/21/59/80/1137215980.db2.gz JXXNCTUBVHPXBZ-GOSISDBHSA-N 1 1 332.806 3.559 20 30 EHEDMO C=CC[C@H](C)C(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001144016738 1137229077 /nfs/dbraw/zinc/22/90/77/1137229077.db2.gz CEWWRHIQIGWMDR-PXNSSMCTSA-N 1 1 326.484 3.854 20 30 EHEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001144068953 1137234464 /nfs/dbraw/zinc/23/44/64/1137234464.db2.gz YVHVKPCDUJTYOI-MOPGFXCFSA-N 1 1 326.484 3.712 20 30 EHEDMO C[C@H](c1cccc(Br)c1)[N@@H+](C)Cc1cncc(C#N)c1 ZINC001144086384 1137235926 /nfs/dbraw/zinc/23/59/26/1137235926.db2.gz QKJVSFHOIUUQNB-GFCCVEGCSA-N 1 1 330.229 3.909 20 30 EHEDMO CCc1[nH+]c(C)cn1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000865393189 1137279303 /nfs/dbraw/zinc/27/93/03/1137279303.db2.gz XEYUSSABJYPNSK-CYBMUJFWSA-N 1 1 342.468 3.644 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc3c(cc[nH]c3=O)o2)c1 ZINC000865464344 1137285996 /nfs/dbraw/zinc/28/59/96/1137285996.db2.gz YHUSHTVRSOEFPQ-CQSZACIVSA-N 1 1 337.379 3.504 20 30 EHEDMO N#Cc1cc(C(F)(F)F)cc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000865959451 1137322317 /nfs/dbraw/zinc/32/23/17/1137322317.db2.gz SEKAOOHLSODDMC-ZDUSSCGKSA-N 1 1 338.377 3.506 20 30 EHEDMO C[N@@H+](CCc1ccc(F)cc1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC000846008662 1137325325 /nfs/dbraw/zinc/32/53/25/1137325325.db2.gz WUZNOIKCIXYLET-GOSISDBHSA-N 1 1 332.806 3.559 20 30 EHEDMO C[N@@H+](CCCCCOc1ccccc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846008830 1137325399 /nfs/dbraw/zinc/32/53/99/1137325399.db2.gz YDZCBJQHQZTQKX-OAQYLSRUSA-N 1 1 338.451 3.773 20 30 EHEDMO CC(C)COc1cccc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000846006216 1137325453 /nfs/dbraw/zinc/32/54/53/1137325453.db2.gz HLFXCNRHHGBYEB-NRFANRHFSA-N 1 1 338.451 3.758 20 30 EHEDMO CCCCCn1cc(C[NH2+][C@H](C)c2cccc(C#N)c2O)c(C)n1 ZINC000866313114 1137344726 /nfs/dbraw/zinc/34/47/26/1137344726.db2.gz WGJSEEBKSLNNSW-OAHLLOKOSA-N 1 1 326.444 3.810 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001171222616 1137347354 /nfs/dbraw/zinc/34/73/54/1137347354.db2.gz HQQUMLDYYXVOJL-LAUBAEHRSA-N 1 1 345.446 3.904 20 30 EHEDMO C[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1cccc(C#N)c1O ZINC000866389836 1137351078 /nfs/dbraw/zinc/35/10/78/1137351078.db2.gz WQHJSLZYNXSTIW-GFCCVEGCSA-N 1 1 326.371 3.795 20 30 EHEDMO CC(C)(C)OC(=O)NCC12CCC(CC1)C[N@H+]2CCC(C)(C)C#N ZINC000846902310 1137374843 /nfs/dbraw/zinc/37/48/43/1137374843.db2.gz OHMDZINUTJNXGF-UHFFFAOYSA-N 1 1 335.492 3.696 20 30 EHEDMO C#CCCCCC(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000773279068 1137485521 /nfs/dbraw/zinc/48/55/21/1137485521.db2.gz RCWZCGUVSDAQSF-AZUAARDMSA-N 1 1 326.484 3.864 20 30 EHEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001171791379 1137512482 /nfs/dbraw/zinc/51/24/82/1137512482.db2.gz ITBBKJDJCASIKI-OTWHNJEPSA-N 1 1 342.389 3.572 20 30 EHEDMO N#Cc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3Cc4cccc(F)c4C3)C2)c1 ZINC001171806744 1137513757 /nfs/dbraw/zinc/51/37/57/1137513757.db2.gz JXGJARNOZLBIMY-IEBWSBKVSA-N 1 1 336.410 3.708 20 30 EHEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2nc3ccccc3s2)C1 ZINC001171841328 1137515497 /nfs/dbraw/zinc/51/54/97/1137515497.db2.gz MVYLWMRQFZJXOF-KGLIPLIRSA-N 1 1 329.469 3.911 20 30 EHEDMO CC1(C)C[C@@H](NC=CC(=O)C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001171981826 1137526810 /nfs/dbraw/zinc/52/68/10/1137526810.db2.gz DJNQXIYZWQQUMM-HQPKTYMTSA-N 1 1 340.389 3.664 20 30 EHEDMO N#Cc1ccc(CCC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000888570896 1137542343 /nfs/dbraw/zinc/54/23/43/1137542343.db2.gz VDLXTDKFVVYEJH-UHFFFAOYSA-N 1 1 334.423 3.515 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001172308166 1137545697 /nfs/dbraw/zinc/54/56/97/1137545697.db2.gz IXTIVSAMWQZJRF-PBHICJAKSA-N 1 1 330.428 3.515 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1Cc2cnc(-c3ccccc3)nc2C1 ZINC001172311392 1137546173 /nfs/dbraw/zinc/54/61/73/1137546173.db2.gz SHEKTZYYLKJZNH-MRXNPFEDSA-N 1 1 340.430 3.962 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1Cc2cnc(-c3ccccc3)nc2C1 ZINC001172311392 1137546174 /nfs/dbraw/zinc/54/61/74/1137546174.db2.gz SHEKTZYYLKJZNH-MRXNPFEDSA-N 1 1 340.430 3.962 20 30 EHEDMO Cc1cccc(O[C@H]2CCC[N@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)n1 ZINC001172312590 1137546356 /nfs/dbraw/zinc/54/63/56/1137546356.db2.gz HITSENWMRLVDDI-XLIONFOSSA-N 1 1 335.451 3.736 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[NH+]1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001172318936 1137546896 /nfs/dbraw/zinc/54/68/96/1137546896.db2.gz JNRJKMRBZAUDJJ-LEOXJPRUSA-N 1 1 345.490 3.553 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@H]2O[C@H](C(=O)NC(C)C)C[C@H]21 ZINC001172353902 1137553952 /nfs/dbraw/zinc/55/39/52/1137553952.db2.gz BSWCZQVONIWOJJ-MKXGPGLRSA-N 1 1 338.536 3.882 20 30 EHEDMO C=CC[NH+]1CCC(N[C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872033953 1137566708 /nfs/dbraw/zinc/56/67/08/1137566708.db2.gz KORTWMNYCUJWNK-ZDUSSCGKSA-N 1 1 335.473 3.618 20 30 EHEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000872275245 1137577175 /nfs/dbraw/zinc/57/71/75/1137577175.db2.gz GVMCSJIMFJHMNC-HXUWFJFHSA-N 1 1 328.456 3.751 20 30 EHEDMO COCc1ccccc1/C=C(\C)C=[NH+]n1c(SC)nnc1SC ZINC000872417488 1137579857 /nfs/dbraw/zinc/57/98/57/1137579857.db2.gz CORSDPNGEOUKSJ-KBLMJJCZSA-N 1 1 348.497 3.806 20 30 EHEDMO C=C(C)C[N@H+](CC)Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000876528647 1137654682 /nfs/dbraw/zinc/65/46/82/1137654682.db2.gz UMJXZJDDFHPNMV-UHFFFAOYSA-N 1 1 337.464 3.832 20 30 EHEDMO N#Cc1cccc(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000876721078 1137659765 /nfs/dbraw/zinc/65/97/65/1137659765.db2.gz FSEWXFZXLAJVRS-LJQANCHMSA-N 1 1 341.842 3.552 20 30 EHEDMO C[C@H](C#N)C[N@H+](Cc1cccc(CNC(=O)OC(C)(C)C)c1)C1CC1 ZINC000876791077 1137661310 /nfs/dbraw/zinc/66/13/10/1137661310.db2.gz DRSHYHOCZWWENZ-OAHLLOKOSA-N 1 1 343.471 3.835 20 30 EHEDMO C[C@H](C#N)C[N@@H+](Cc1cccc(CNC(=O)OC(C)(C)C)c1)C1CC1 ZINC000876791077 1137661311 /nfs/dbraw/zinc/66/13/11/1137661311.db2.gz DRSHYHOCZWWENZ-OAHLLOKOSA-N 1 1 343.471 3.835 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)n1 ZINC000876804982 1137661937 /nfs/dbraw/zinc/66/19/37/1137661937.db2.gz WCMYMLCFZBGVOL-ROUUACIJSA-N 1 1 341.480 3.883 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000876804361 1137662015 /nfs/dbraw/zinc/66/20/15/1137662015.db2.gz OYJHULFNBGYACQ-GJZGRUSLSA-N 1 1 347.871 3.756 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000876804361 1137662016 /nfs/dbraw/zinc/66/20/16/1137662016.db2.gz OYJHULFNBGYACQ-GJZGRUSLSA-N 1 1 347.871 3.756 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000877313516 1137674094 /nfs/dbraw/zinc/67/40/94/1137674094.db2.gz WJCTZSQFMBBAGT-TWMKSMIVSA-N 1 1 335.492 3.551 20 30 EHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877483735 1137677940 /nfs/dbraw/zinc/67/79/40/1137677940.db2.gz QRTRJMWAAFPLNM-OAHLLOKOSA-N 1 1 347.459 3.549 20 30 EHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877483735 1137677941 /nfs/dbraw/zinc/67/79/41/1137677941.db2.gz QRTRJMWAAFPLNM-OAHLLOKOSA-N 1 1 347.459 3.549 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000877491931 1137678344 /nfs/dbraw/zinc/67/83/44/1137678344.db2.gz YQEBTKULYFGOBW-PKOBYXMFSA-N 1 1 343.471 3.565 20 30 EHEDMO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877503325 1137678947 /nfs/dbraw/zinc/67/89/47/1137678947.db2.gz IYNCTYJLDYTVMV-OAHLLOKOSA-N 1 1 331.778 3.531 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)c1 ZINC000877539730 1137680254 /nfs/dbraw/zinc/68/02/54/1137680254.db2.gz PGHZLHFJNXIQER-IBGZPJMESA-N 1 1 339.826 3.576 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)c1 ZINC000877539730 1137680255 /nfs/dbraw/zinc/68/02/55/1137680255.db2.gz PGHZLHFJNXIQER-IBGZPJMESA-N 1 1 339.826 3.576 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)s1 ZINC000877736243 1137687346 /nfs/dbraw/zinc/68/73/46/1137687346.db2.gz RKBSZBVOVAKKEC-UHFFFAOYSA-N 1 1 328.441 3.650 20 30 EHEDMO N#CCCCOc1cccc(C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)c1 ZINC000877821634 1137691637 /nfs/dbraw/zinc/69/16/37/1137691637.db2.gz ZKQKTOXUIHTIPO-INIZCTEOSA-N 1 1 342.361 3.522 20 30 EHEDMO N#CCCCOc1cccc(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)c1 ZINC000877821634 1137691638 /nfs/dbraw/zinc/69/16/38/1137691638.db2.gz ZKQKTOXUIHTIPO-INIZCTEOSA-N 1 1 342.361 3.522 20 30 EHEDMO COc1cccc(C[N@@H+](C)CC[C@](C#N)(C(C)=O)c2ccccc2)c1 ZINC000877930862 1137696146 /nfs/dbraw/zinc/69/61/46/1137696146.db2.gz BZVYKPUKLGVWRY-NRFANRHFSA-N 1 1 336.435 3.568 20 30 EHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000877982580 1137698196 /nfs/dbraw/zinc/69/81/96/1137698196.db2.gz ARXZEKDOOAIVHH-FQEVSTJZSA-N 1 1 345.483 3.659 20 30 EHEDMO CC[N@@H+](C[C@H]1CC2(CO1)CCOCC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000877990961 1137698777 /nfs/dbraw/zinc/69/87/77/1137698777.db2.gz KIURMDUMOGDDFK-QFBILLFUSA-N 1 1 328.456 3.527 20 30 EHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CC2(CO1)CCOCC2 ZINC000878010206 1137699274 /nfs/dbraw/zinc/69/92/74/1137699274.db2.gz KVLBGSPIIZMUFA-HXUWFJFHSA-N 1 1 342.483 3.602 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@@H]1c1ccccn1)c1ccccc1 ZINC000878174987 1137706039 /nfs/dbraw/zinc/70/60/39/1137706039.db2.gz KZXDQBGZZQMLAK-RTWAWAEBSA-N 1 1 333.435 3.659 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)C[C@H]2CCC[C@@H](c3ccccc3)O2)n1 ZINC000878528201 1137718963 /nfs/dbraw/zinc/71/89/63/1137718963.db2.gz PMYHFFXGTLSCEV-RTWAWAEBSA-N 1 1 337.467 3.649 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H]2CCC[C@@H](c3ccccc3)O2)n1 ZINC000878528201 1137718964 /nfs/dbraw/zinc/71/89/64/1137718964.db2.gz PMYHFFXGTLSCEV-RTWAWAEBSA-N 1 1 337.467 3.649 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCC2(CCOCC2)CO1 ZINC000878728429 1137726613 /nfs/dbraw/zinc/72/66/13/1137726613.db2.gz OEELBZUHIRYNNS-QFBILLFUSA-N 1 1 328.456 3.527 20 30 EHEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccccc1OC(C)C)C2 ZINC001137138331 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343.434 3.558 20 30 EHEDMO Cc1ccc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(C#N)n1 ZINC000882015059 1137818909 /nfs/dbraw/zinc/81/89/09/1137818909.db2.gz NRPJMUAKIZDMEB-KBXCAEBGSA-N 1 1 326.469 3.818 20 30 EHEDMO C=CCC(CC=C)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000882393711 1137826136 /nfs/dbraw/zinc/82/61/36/1137826136.db2.gz DUPXHDPVOOHWNI-FQEVSTJZSA-N 1 1 339.483 3.678 20 30 EHEDMO C=C[C@@](C)(CC)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000882394781 1137826277 /nfs/dbraw/zinc/82/62/77/1137826277.db2.gz HSEPVUAJDGLQNT-ICSRJNTNSA-N 1 1 327.472 3.512 20 30 EHEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000348248368 1137877221 /nfs/dbraw/zinc/87/72/21/1137877221.db2.gz UXQODQXCYLNSOD-WBMJQRKESA-N 1 1 348.372 3.731 20 30 EHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c1 ZINC000134783376 1137960646 /nfs/dbraw/zinc/96/06/46/1137960646.db2.gz YXHFRZFMHCZSCB-UYAOXDASSA-N 1 1 342.389 3.925 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1O 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VGBHLRATVKXSKU-HZPDHXFCSA-N 1 1 329.444 3.968 20 30 EHEDMO CN(Cc1cc(C#N)cs1)C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000887965287 1138999158 /nfs/dbraw/zinc/99/91/58/1138999158.db2.gz BOKVHWQNBQKAKL-INIZCTEOSA-N 1 1 347.871 3.534 20 30 EHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000153024613 1139119930 /nfs/dbraw/zinc/11/99/30/1139119930.db2.gz VFHAPYNYEOLXCH-GOSISDBHSA-N 1 1 338.499 3.623 20 30 EHEDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000174374312 1139417038 /nfs/dbraw/zinc/41/70/38/1139417038.db2.gz KGRLQBSJWUWPHX-OAHLLOKOSA-N 1 1 337.423 3.503 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1ncc(C)s1 ZINC000175254813 1139475197 /nfs/dbraw/zinc/47/51/97/1139475197.db2.gz LQZAMAUICKWOJM-KGLIPLIRSA-N 1 1 349.525 3.767 20 30 EHEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000175841317 1139522487 /nfs/dbraw/zinc/52/24/87/1139522487.db2.gz LMZSWMZLWDGCLP-WMZOPIPTSA-N 1 1 342.464 3.587 20 30 EHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000177071009 1139596138 /nfs/dbraw/zinc/59/61/38/1139596138.db2.gz HZVNCYJKRIIKIU-WBVHZDCISA-N 1 1 343.471 3.683 20 30 EHEDMO CC[C@@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1cc(F)ccc1F ZINC000179785832 1139782635 /nfs/dbraw/zinc/78/26/35/1139782635.db2.gz VWJUWIVZVRADOK-MRXNPFEDSA-N 1 1 347.365 3.726 20 30 EHEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2N2CCOCC2)C2CC2)cc1 ZINC000180030524 1139803499 /nfs/dbraw/zinc/80/34/99/1139803499.db2.gz KSAXQWNGZSNCRY-UHFFFAOYSA-N 1 1 347.462 3.559 20 30 EHEDMO CCSCC[C@@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180250774 1139821179 /nfs/dbraw/zinc/82/11/79/1139821179.db2.gz KOUDJLGZMVXETA-OAHLLOKOSA-N 1 1 342.512 3.922 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)s1 ZINC000180637805 1139852415 /nfs/dbraw/zinc/85/24/15/1139852415.db2.gz LKGXDCOIRDDAKJ-CRAIPNDOSA-N 1 1 330.428 3.847 20 30 EHEDMO CCC[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(F)cc1F ZINC000181672804 1139923505 /nfs/dbraw/zinc/92/35/05/1139923505.db2.gz PRDNOYZKUKHCAH-HNNXBMFYSA-N 1 1 349.406 3.967 20 30 EHEDMO C[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc(OCC#N)cc1 ZINC000181755296 1139928580 /nfs/dbraw/zinc/92/85/80/1139928580.db2.gz SUUCXEFLLIMNED-HNNXBMFYSA-N 1 1 341.430 3.640 20 30 EHEDMO C=C(C)[C@@H]([NH2+]Cc1cnc2c(c1)c(C)nn2C)c1ccc(F)c(F)c1 ZINC000187372759 1140252332 /nfs/dbraw/zinc/25/23/32/1140252332.db2.gz QXNQMOFIHTVAGD-GOSISDBHSA-N 1 1 342.393 3.962 20 30 EHEDMO C=CC[NH+]1CCC(N[C@H](C)c2ccc(Br)cc2F)CC1 ZINC000187977497 1140279121 /nfs/dbraw/zinc/27/91/21/1140279121.db2.gz GTXNXCWJLGZORG-GFCCVEGCSA-N 1 1 341.268 3.889 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)CC1(c2ccccc2)CC1 ZINC000189320083 1140335249 /nfs/dbraw/zinc/33/52/49/1140335249.db2.gz UKTSHHONZQHFBU-UHFFFAOYSA-N 1 1 333.435 3.550 20 30 EHEDMO N#Cc1cc(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)ccc1F ZINC000193151244 1140565466 /nfs/dbraw/zinc/56/54/66/1140565466.db2.gz SOFUUROAOCZFJW-UHFFFAOYSA-N 1 1 344.817 3.834 20 30 EHEDMO CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000269642081 1141130831 /nfs/dbraw/zinc/13/08/31/1141130831.db2.gz JNIPAYZJLPBOCT-IFXJQAMLSA-N 1 1 339.395 3.583 20 30 EHEDMO N#Cc1cccc(C2([NH2+]Cc3cnc([C@@H]4CCCO4)s3)CC2)c1 ZINC000270028770 1141169808 /nfs/dbraw/zinc/16/98/08/1141169808.db2.gz ASVMOJCLAZKKRM-INIZCTEOSA-N 1 1 325.437 3.645 20 30 EHEDMO COc1cc(C[N@H+](CCC#N)CCC(C)C)ccc1OC(=O)C1CC1 ZINC000271181023 1141320022 /nfs/dbraw/zinc/32/00/22/1141320022.db2.gz WVFVUGHHMSWOHA-UHFFFAOYSA-N 1 1 344.455 3.772 20 30 EHEDMO COc1cc(C[N@@H+](CCC#N)CCC(C)C)ccc1OC(=O)C1CC1 ZINC000271181023 1141320025 /nfs/dbraw/zinc/32/00/25/1141320025.db2.gz WVFVUGHHMSWOHA-UHFFFAOYSA-N 1 1 344.455 3.772 20 30 EHEDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000274129650 1141478443 /nfs/dbraw/zinc/47/84/43/1141478443.db2.gz DWISUGLNGBPKFM-LBPRGKRZSA-N 1 1 332.860 3.551 20 30 EHEDMO C[C@@H](C[N@@H+](C)CCOCCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000339118373 1141502464 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N#C[C@@H](c1ccccc1)N1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000471146443 1014850419 /nfs/dbraw/zinc/85/04/19/1014850419.db2.gz AMTFBWIDWYORRO-NRFANRHFSA-N 1 1 341.499 3.608 20 30 EHEDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000430205618 1014907865 /nfs/dbraw/zinc/90/78/65/1014907865.db2.gz NBYRZAYIDKKGML-UHFFFAOYSA-N 1 1 349.390 3.764 20 30 EHEDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000430205618 1014907870 /nfs/dbraw/zinc/90/78/70/1014907870.db2.gz NBYRZAYIDKKGML-UHFFFAOYSA-N 1 1 349.390 3.764 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339676127 1015505503 /nfs/dbraw/zinc/50/55/03/1015505503.db2.gz SRMYNHZXCNTEEB-NVXWUHKLSA-N 1 1 343.446 3.583 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2c2cccn2C)cc1OC ZINC000179707366 1015551379 /nfs/dbraw/zinc/55/13/79/1015551379.db2.gz XVPJTOWXKNCQLA-SFHVURJKSA-N 1 1 326.440 3.936 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)N2CCc3ccc(C#N)cc32)cc1)C1CC1 ZINC000339831554 1015713779 /nfs/dbraw/zinc/71/37/79/1015713779.db2.gz UNLODZKSQHFBCK-UHFFFAOYSA-N 1 1 345.446 3.745 20 30 EHEDMO N#Cc1ccc(OCC[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000059958924 1015739272 /nfs/dbraw/zinc/73/92/72/1015739272.db2.gz QYIZWWOXVSZNPO-NRFANRHFSA-N 1 1 336.435 3.618 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c(F)c1 ZINC000134785890 1015792148 /nfs/dbraw/zinc/79/21/48/1015792148.db2.gz ANRFLISJPUBPRT-AZUAARDMSA-N 1 1 342.389 3.925 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c(F)c1 ZINC000339908813 1015883410 /nfs/dbraw/zinc/88/34/10/1015883410.db2.gz HVZJSQGLKRTFQJ-KRWDZBQOSA-N 1 1 334.398 3.712 20 30 EHEDMO CC[N@@H+](C[C@H]1Cc2cc(OC)ccc2O1)[C@@H](C)c1ccc(C#N)cc1 ZINC001167130476 1016243557 /nfs/dbraw/zinc/24/35/57/1016243557.db2.gz IKIAKHVZGSGZRW-MGPUTAFESA-N 1 1 336.435 3.953 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000247141563 1016597224 /nfs/dbraw/zinc/59/72/24/1016597224.db2.gz RGQFRFQVPRVWPG-MAUKXSAKSA-N 1 1 331.423 3.542 20 30 EHEDMO C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001125841827 1016703636 /nfs/dbraw/zinc/70/36/36/1016703636.db2.gz BVFJJUZOZYPINQ-RXVVDRJESA-N 1 1 346.474 3.931 20 30 EHEDMO N#Cc1ccc(N2CC[NH+](CCSc3ccccc3)CC2)c(F)c1 ZINC000510247303 1016707776 /nfs/dbraw/zinc/70/77/76/1016707776.db2.gz WXHIFCNZPIZENA-UHFFFAOYSA-N 1 1 341.455 3.612 20 30 EHEDMO CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)ccc2NC1=O ZINC000329775752 1032226312 /nfs/dbraw/zinc/22/63/12/1032226312.db2.gz NJFRCTHBODTZCD-CQDKDKBSSA-N 1 1 331.416 3.557 20 30 EHEDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc(C#N)cc1OC(F)F ZINC000459598799 1032318185 /nfs/dbraw/zinc/31/81/85/1032318185.db2.gz WKIWBTRCILTYMY-UHFFFAOYSA-N 1 1 348.397 3.551 20 30 EHEDMO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000449223654 1032339869 /nfs/dbraw/zinc/33/98/69/1032339869.db2.gz GJDIVBWRFSZUJA-GUSVMJMASA-N 1 1 325.500 3.959 20 30 EHEDMO C=CCc1cc(C[NH2+][C@@H](C)c2nc3c(s2)CCC3)cc(OC)c1O ZINC000459653323 1032377135 /nfs/dbraw/zinc/37/71/35/1032377135.db2.gz RJCCFNKNVLLXAF-LBPRGKRZSA-N 1 1 344.480 3.925 20 30 EHEDMO CCc1nnc(NCc2cccc(C[N@H+](C)CC)c2)c(C#N)c1CC ZINC000343781874 1032416961 /nfs/dbraw/zinc/41/69/61/1032416961.db2.gz BIFNNXVUVRINDY-UHFFFAOYSA-N 1 1 337.471 3.537 20 30 EHEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000537035892 1032495046 /nfs/dbraw/zinc/49/50/46/1032495046.db2.gz BRFQREKTVIZACB-HNNXBMFYSA-N 1 1 341.405 3.715 20 30 EHEDMO C=CCOc1ccc(C[NH2+]Cc2ccc(C(=O)OC)o2)cc1Cl ZINC000584429778 1032541935 /nfs/dbraw/zinc/54/19/35/1032541935.db2.gz TTXDBYZXWFEEDM-UHFFFAOYSA-N 1 1 335.787 3.574 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+](C)[C@@H](CO)c2ccccc2)ccc1OC ZINC000449449721 1032565345 /nfs/dbraw/zinc/56/53/45/1032565345.db2.gz DVMDVGKVUKJVER-IBGZPJMESA-N 1 1 341.451 3.816 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1OC ZINC000449457342 1032574002 /nfs/dbraw/zinc/57/40/02/1032574002.db2.gz USQUDNCZEKOYAM-GUDVDZBRSA-N 1 1 345.483 3.776 20 30 EHEDMO C[N@H+]1CC[C@H](CC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000602082460 1032615996 /nfs/dbraw/zinc/61/59/96/1032615996.db2.gz DMRHFOVDSYFSND-OAHLLOKOSA-N 1 1 335.407 3.631 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)o1 ZINC000449503017 1032685255 /nfs/dbraw/zinc/68/52/55/1032685255.db2.gz SMOAFVPMCJZXTF-CYBMUJFWSA-N 1 1 331.213 3.903 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)o1 ZINC000449503017 1032685261 /nfs/dbraw/zinc/68/52/61/1032685261.db2.gz SMOAFVPMCJZXTF-CYBMUJFWSA-N 1 1 331.213 3.903 20 30 EHEDMO C[C@H]1C[C@H](Nc2ccc(C#N)cc2CO)CC[N@H+]1Cc1ccccc1 ZINC000892848142 1017567911 /nfs/dbraw/zinc/56/79/11/1017567911.db2.gz RISCOJNKXZDZSM-OXJNMPFZSA-N 1 1 335.451 3.516 20 30 EHEDMO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@]3(CC=CCC3)C2)C1=O ZINC000177076118 1017576348 /nfs/dbraw/zinc/57/63/48/1017576348.db2.gz OLPRDONPQOPFCG-APWZRJJASA-N 1 1 341.480 3.547 20 30 EHEDMO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@]3(CC=CCC3)C2)C1=O ZINC000177076118 1017576360 /nfs/dbraw/zinc/57/63/60/1017576360.db2.gz OLPRDONPQOPFCG-APWZRJJASA-N 1 1 341.480 3.547 20 30 EHEDMO Cc1sc(NC(=O)C[N@H+](Cc2ccccc2)C2CC2)c(C#N)c1C ZINC000177245418 1017604574 /nfs/dbraw/zinc/60/45/74/1017604574.db2.gz CIWRQIBNQCQLRV-UHFFFAOYSA-N 1 1 339.464 3.840 20 30 EHEDMO Cc1sc(NC(=O)C[N@@H+](Cc2ccccc2)C2CC2)c(C#N)c1C ZINC000177245418 1017604582 /nfs/dbraw/zinc/60/45/82/1017604582.db2.gz CIWRQIBNQCQLRV-UHFFFAOYSA-N 1 1 339.464 3.840 20 30 EHEDMO COCC[N@H+](Cc1cnc(C2CCC2)s1)Cc1ccc(C#N)cc1 ZINC000092567963 1017798065 /nfs/dbraw/zinc/79/80/65/1017798065.db2.gz KHPDABZBJHHHAK-UHFFFAOYSA-N 1 1 341.480 3.931 20 30 EHEDMO COCC[N@@H+](Cc1cnc(C2CCC2)s1)Cc1ccc(C#N)cc1 ZINC000092567963 1017798075 /nfs/dbraw/zinc/79/80/75/1017798075.db2.gz KHPDABZBJHHHAK-UHFFFAOYSA-N 1 1 341.480 3.931 20 30 EHEDMO C[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1cccc(C#N)c1 ZINC000593986947 1032725576 /nfs/dbraw/zinc/72/55/76/1032725576.db2.gz LPRWWEPZFMFGRJ-FZKQIMNGSA-N 1 1 341.842 3.692 20 30 EHEDMO N#CCCCC[N@@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000377484128 1017878674 /nfs/dbraw/zinc/87/86/74/1017878674.db2.gz IQMKFRBYRCNPSV-HNNXBMFYSA-N 1 1 328.334 3.652 20 30 EHEDMO N#CCCCC[N@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000377484128 1017878692 /nfs/dbraw/zinc/87/86/92/1017878692.db2.gz IQMKFRBYRCNPSV-HNNXBMFYSA-N 1 1 328.334 3.652 20 30 EHEDMO Cc1sc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000602233710 1032725876 /nfs/dbraw/zinc/72/58/76/1032725876.db2.gz XLHMDJXHQLOBQW-INIZCTEOSA-N 1 1 339.464 3.697 20 30 EHEDMO COc1ccc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1C#N ZINC000134971793 1017926470 /nfs/dbraw/zinc/92/64/70/1017926470.db2.gz CNTAVDIXVCWYOR-QGZVFWFLSA-N 1 1 342.464 3.810 20 30 EHEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(C)c(F)c(C)c1)C2 ZINC001143379736 1018246074 /nfs/dbraw/zinc/24/60/74/1018246074.db2.gz VHEGGJWLOJKDLS-QUCCMNQESA-N 1 1 333.447 3.769 20 30 EHEDMO C=CCOc1ccc(C[N@H+](CCc2ccnn2C)C(C)(C)C)cc1 ZINC000549349122 1018447931 /nfs/dbraw/zinc/44/79/31/1018447931.db2.gz SUEIBVFNFJJNQJ-UHFFFAOYSA-N 1 1 327.472 3.828 20 30 EHEDMO CN(C)C[C@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000528767720 1032769037 /nfs/dbraw/zinc/76/90/37/1032769037.db2.gz PSBOHBCPHAOAAL-KRWDZBQOSA-N 1 1 349.265 3.653 20 30 EHEDMO N#Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000602290168 1032772594 /nfs/dbraw/zinc/77/25/94/1032772594.db2.gz UCCZXFHLMXZTSN-MRXNPFEDSA-N 1 1 339.826 3.672 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(OCC2CC2)c(F)c1 ZINC000580089398 1018630010 /nfs/dbraw/zinc/63/00/10/1018630010.db2.gz AKHLYMQNBFYDFX-CYBMUJFWSA-N 1 1 325.387 3.732 20 30 EHEDMO N#Cc1ccc(CN2CCC(C[NH+]3CCCCCC3)CC2)cc1F ZINC000616747603 1018792665 /nfs/dbraw/zinc/79/26/65/1018792665.db2.gz HVWHKEDJKWYABI-UHFFFAOYSA-N 1 1 329.463 3.785 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccccc1 ZINC000025417770 1018962509 /nfs/dbraw/zinc/96/25/09/1018962509.db2.gz VUNAVOCIRODCBA-ZDUSSCGKSA-N 1 1 339.464 3.567 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccccc1 ZINC000025417770 1018962520 /nfs/dbraw/zinc/96/25/20/1018962520.db2.gz VUNAVOCIRODCBA-ZDUSSCGKSA-N 1 1 339.464 3.567 20 30 EHEDMO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2ccc(C#N)cc2C)nc1C ZINC000614405708 1018986033 /nfs/dbraw/zinc/98/60/33/1018986033.db2.gz FANPABGBHWKLGC-ZDUSSCGKSA-N 1 1 343.452 3.659 20 30 EHEDMO CC(C)C[C@@H](C#N)NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000610425512 1019055118 /nfs/dbraw/zinc/05/51/18/1019055118.db2.gz LTUQNCBLGPEJFF-NRFANRHFSA-N 1 1 349.478 3.743 20 30 EHEDMO CC(C)[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000433778109 1019599520 /nfs/dbraw/zinc/59/95/20/1019599520.db2.gz UCUMEDGJQCNDMS-ZWKOTPCHSA-N 1 1 341.842 3.725 20 30 EHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1ccc(C#N)cc1F ZINC000610451257 1019769435 /nfs/dbraw/zinc/76/94/35/1019769435.db2.gz IJDUSNUNZSMSNX-KRWDZBQOSA-N 1 1 337.442 3.794 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cc(C)c(F)c(C)c1)CC2 ZINC001143380873 1019863163 /nfs/dbraw/zinc/86/31/63/1019863163.db2.gz YVQKOOBAEKEQPG-NRFANRHFSA-N 1 1 344.474 3.976 20 30 EHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)n1 ZINC000602431885 1032886347 /nfs/dbraw/zinc/88/63/47/1032886347.db2.gz GDPOARZAENRLQU-CQSZACIVSA-N 1 1 334.448 3.943 20 30 EHEDMO C=CCCCCC[N@H+](C)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000606902271 1032892320 /nfs/dbraw/zinc/89/23/20/1032892320.db2.gz PAZUIYBDAWKHMD-GOSISDBHSA-N 1 1 329.488 3.692 20 30 EHEDMO CC[N@@H+](Cc1cccn(C(F)F)c1=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000602445555 1032895384 /nfs/dbraw/zinc/89/53/84/1032895384.db2.gz XNINSLOPRSENMV-ZDUSSCGKSA-N 1 1 331.366 3.698 20 30 EHEDMO N#Cc1cnn2cc(C[N@H+](Cc3cccc(F)c3)C3CCCC3)cnc12 ZINC000592497883 1032930751 /nfs/dbraw/zinc/93/07/51/1032930751.db2.gz FENMHKHUYZDDOM-UHFFFAOYSA-N 1 1 349.413 3.685 20 30 EHEDMO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000477170005 1021219809 /nfs/dbraw/zinc/21/98/09/1021219809.db2.gz LBORYECSXQWGJY-UWJYYQICSA-N 1 1 336.435 3.789 20 30 EHEDMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCCOc1cccc(C#N)c1 ZINC000477170005 1021219814 /nfs/dbraw/zinc/21/98/14/1021219814.db2.gz LBORYECSXQWGJY-UWJYYQICSA-N 1 1 336.435 3.789 20 30 EHEDMO CC(C)C[N@@H+](Cc1cnn(CC(F)F)c1)Cc1ccc(C#N)cc1 ZINC000507421359 1021250440 /nfs/dbraw/zinc/25/04/40/1021250440.db2.gz DZSAIOATVQHCRP-UHFFFAOYSA-N 1 1 332.398 3.678 20 30 EHEDMO C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000439316079 1021342000 /nfs/dbraw/zinc/34/20/00/1021342000.db2.gz JAASJGSHEXPQQY-HKUYNNGSSA-N 1 1 339.483 3.597 20 30 EHEDMO C#Cc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c(Cl)c1 ZINC000933363541 1021383991 /nfs/dbraw/zinc/38/39/91/1021383991.db2.gz BKDVVKZJRSGNSD-GUYCJALGSA-N 1 1 333.863 3.515 20 30 EHEDMO C=CCC[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000276466968 1021421682 /nfs/dbraw/zinc/42/16/82/1021421682.db2.gz REZGDWWJPALWRY-HNNXBMFYSA-N 1 1 343.452 3.527 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)C[C@H]1OCCc2ccccc21 ZINC000439455027 1021455518 /nfs/dbraw/zinc/45/55/18/1021455518.db2.gz SWELGLVDVDLPJX-LJQANCHMSA-N 1 1 326.827 3.957 20 30 EHEDMO C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@H]1OCCc2ccccc21 ZINC000439455027 1021455529 /nfs/dbraw/zinc/45/55/29/1021455529.db2.gz SWELGLVDVDLPJX-LJQANCHMSA-N 1 1 326.827 3.957 20 30 EHEDMO CCCCCC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439456501 1021456454 /nfs/dbraw/zinc/45/64/54/1021456454.db2.gz YHESJQYVGXVGOZ-UHFFFAOYSA-N 1 1 347.890 3.873 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625801850 1021464051 /nfs/dbraw/zinc/46/40/51/1021464051.db2.gz ZWIGYHPDUFAIFG-HXUWFJFHSA-N 1 1 326.440 3.816 20 30 EHEDMO CCCCCCCCC(=O)N1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001270164450 1021502013 /nfs/dbraw/zinc/50/20/13/1021502013.db2.gz WMAYYCNGCTZIIU-UHFFFAOYSA-N 1 1 346.519 3.585 20 30 EHEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897615794 1032985942 /nfs/dbraw/zinc/98/59/42/1032985942.db2.gz FDSZKGLDDKKYIB-GFCCVEGCSA-N 1 1 326.366 3.615 20 30 EHEDMO N#CC[C@H](CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000598217761 1032993569 /nfs/dbraw/zinc/99/35/69/1032993569.db2.gz BEOREFMKZDWQKR-MOPGFXCFSA-N 1 1 339.483 3.597 20 30 EHEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]3CCC[C@H]32)ccc1Cl ZINC000426471267 1021657620 /nfs/dbraw/zinc/65/76/20/1021657620.db2.gz VZYVYDXQJCTKTR-MAUKXSAKSA-N 1 1 345.874 3.770 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000664623560 1021732650 /nfs/dbraw/zinc/73/26/50/1021732650.db2.gz BTBDCXKNAMNBLH-JFRXWTBNSA-N 1 1 331.504 3.532 20 30 EHEDMO COc1cc([C@H](C)[NH2+]Cc2cccc(C#N)c2F)cc(OC)c1OC ZINC000341414920 1021792463 /nfs/dbraw/zinc/79/24/63/1021792463.db2.gz KLMJHUZGRBKOLF-LBPRGKRZSA-N 1 1 344.386 3.574 20 30 EHEDMO C=CCC1(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000276569856 1021852837 /nfs/dbraw/zinc/85/28/37/1021852837.db2.gz AOLYALCXASTTLR-MJGOQNOKSA-N 1 1 326.484 3.760 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729484989 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EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2C(C)C)c1C ZINC000143289015 1033042592 /nfs/dbraw/zinc/04/25/92/1033042592.db2.gz FEMROZPQSPMPCI-GOSISDBHSA-N 1 1 327.472 3.671 20 30 EHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891685313 1022318807 /nfs/dbraw/zinc/31/88/07/1022318807.db2.gz XIZOSSLHTQCNPW-RBUKOAKNSA-N 1 1 346.446 3.650 20 30 EHEDMO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000471816997 1022378196 /nfs/dbraw/zinc/37/81/96/1022378196.db2.gz RJDQEXCERWJJSE-FQEVSTJZSA-N 1 1 343.515 3.895 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H](O)C2CCCCC2)C1 ZINC000328606205 1022450045 /nfs/dbraw/zinc/45/00/45/1022450045.db2.gz KFWBNQZKIFDVPT-MNEFBYGVSA-N 1 1 330.472 3.720 20 30 EHEDMO CC(C)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000438487066 1022709135 /nfs/dbraw/zinc/70/91/35/1022709135.db2.gz DECXIGYSTLROAG-HZPDHXFCSA-N 1 1 345.512 3.997 20 30 EHEDMO Cc1cccnc1[C@H](NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)C(C)C ZINC000331341500 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EHEDMO CCOC(=O)c1ncc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)s1 ZINC000602767318 1033164523 /nfs/dbraw/zinc/16/45/23/1033164523.db2.gz DKUBOLIKELLXAX-UHFFFAOYSA-N 1 1 343.452 3.602 20 30 EHEDMO CC(C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000342070923 1023827260 /nfs/dbraw/zinc/82/72/60/1023827260.db2.gz CALRFFMKMBYBTK-IAGOWNOFSA-N 1 1 345.462 3.829 20 30 EHEDMO COc1cc(F)ccc1N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000187691907 1023838601 /nfs/dbraw/zinc/83/86/01/1023838601.db2.gz WBWIDDKUKFJKCY-OAHLLOKOSA-N 1 1 339.414 3.589 20 30 EHEDMO N#CCC1(C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)CC1 ZINC000602800274 1033172552 /nfs/dbraw/zinc/17/25/52/1033172552.db2.gz GXBNHSYITVRYHQ-MRXNPFEDSA-N 1 1 327.476 3.726 20 30 EHEDMO N#CCC1(C[N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)CC1 ZINC000602800274 1033172563 /nfs/dbraw/zinc/17/25/63/1033172563.db2.gz GXBNHSYITVRYHQ-MRXNPFEDSA-N 1 1 327.476 3.726 20 30 EHEDMO N#Cc1cc(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)ccn1 ZINC000610991466 1023961930 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20 30 EHEDMO C=CCC1(O)CC[NH+](Cc2cc(Cl)c(OC)cc2Cl)CC1 ZINC000895835627 1024901176 /nfs/dbraw/zinc/90/11/76/1024901176.db2.gz JKEMWMSZWREAHA-UHFFFAOYSA-N 1 1 330.255 3.905 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)cc1Cl ZINC000895835870 1024901743 /nfs/dbraw/zinc/90/17/43/1024901743.db2.gz HFLGNPBUYLFJSI-HNNXBMFYSA-N 1 1 349.780 3.652 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)cc1Cl ZINC000895835870 1024901750 /nfs/dbraw/zinc/90/17/50/1024901750.db2.gz HFLGNPBUYLFJSI-HNNXBMFYSA-N 1 1 349.780 3.652 20 30 EHEDMO N#Cc1ccccc1NC1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000602900152 1033249248 /nfs/dbraw/zinc/24/92/48/1033249248.db2.gz MENJPQWLCRCGLY-UHFFFAOYSA-N 1 1 326.831 3.683 20 30 EHEDMO C=CCC(C)(C)C(=O)N1CCC[C@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001269976928 1024980871 /nfs/dbraw/zinc/98/08/71/1024980871.db2.gz DZWWLPYKRWZMDC-NRFANRHFSA-N 1 1 343.515 3.822 20 30 EHEDMO CC[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000342349123 1025013573 /nfs/dbraw/zinc/01/35/73/1025013573.db2.gz ABDXPWDQLSQHKE-FQEVSTJZSA-N 1 1 347.462 3.770 20 30 EHEDMO CC[C@H]1Cc2ccccc2C[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000342349123 1025013582 /nfs/dbraw/zinc/01/35/82/1025013582.db2.gz ABDXPWDQLSQHKE-FQEVSTJZSA-N 1 1 347.462 3.770 20 30 EHEDMO C=CCS(=O)(=O)CC[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000783530506 1025025361 /nfs/dbraw/zinc/02/53/61/1025025361.db2.gz AMBWTDDZVIJVRN-GOSISDBHSA-N 1 1 349.883 3.620 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H]2CCc2ccccc2)c1 ZINC000438839335 1025063825 /nfs/dbraw/zinc/06/38/25/1025063825.db2.gz VIYKQOUUYPLPBF-NRFANRHFSA-N 1 1 347.462 3.984 20 30 EHEDMO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccccc1N1CCCC1 ZINC000015574015 1025067433 /nfs/dbraw/zinc/06/74/33/1025067433.db2.gz CTBDSBLEPIQPBU-UHFFFAOYSA-N 1 1 335.451 3.669 20 30 EHEDMO C[C@H](CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)[N@H+]1CCCC[C@@H]1C ZINC000425403520 1025080731 /nfs/dbraw/zinc/08/07/31/1025080731.db2.gz KCSFTMURKPQFRM-GVDBMIGSSA-N 1 1 342.487 3.524 20 30 EHEDMO C=C(C)COc1cc(CN[C@H](C)C[N@H+]2CCC[C@@H](C)C2)ccc1OC ZINC000520944864 1025128456 /nfs/dbraw/zinc/12/84/56/1025128456.db2.gz OLKAPGWVELSVHU-QZTJIDSGSA-N 1 1 346.515 3.860 20 30 EHEDMO C=C(C)COc1cc(C[NH2+][C@H](C)CN2CCC[C@@H](C)C2)ccc1OC ZINC000520944864 1025128466 /nfs/dbraw/zinc/12/84/66/1025128466.db2.gz OLKAPGWVELSVHU-QZTJIDSGSA-N 1 1 346.515 3.860 20 30 EHEDMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000185461882 1025129691 /nfs/dbraw/zinc/12/96/91/1025129691.db2.gz JYTWRBRRGSFEJM-CQSZACIVSA-N 1 1 329.444 3.638 20 30 EHEDMO Cc1cc(C)c(C#N)c(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1 ZINC000185483847 1025239022 /nfs/dbraw/zinc/23/90/22/1025239022.db2.gz CPRFNZJORFUXQZ-OAHLLOKOSA-N 1 1 326.469 3.515 20 30 EHEDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000342410392 1025256931 /nfs/dbraw/zinc/25/69/31/1025256931.db2.gz KIABNGHMIDRWKK-RXVVDRJESA-N 1 1 349.478 3.711 20 30 EHEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CC(=O)NC1(C#N)CCCCC1 ZINC000521197223 1025268403 /nfs/dbraw/zinc/26/84/03/1025268403.db2.gz AJLAYEZXJZSROP-SFHVURJKSA-N 1 1 327.472 3.802 20 30 EHEDMO CC(C)C[N@@H+](CC(=O)N(C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000521196419 1025268871 /nfs/dbraw/zinc/26/88/71/1025268871.db2.gz FYSCFASGYSFOLR-UHFFFAOYSA-N 1 1 335.451 3.679 20 30 EHEDMO CSc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046529552 1033275851 /nfs/dbraw/zinc/27/58/51/1033275851.db2.gz RTFSLQKSSBOJCE-AWEZNQCLSA-N 1 1 339.464 3.739 20 30 EHEDMO CSc1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046529552 1033275864 /nfs/dbraw/zinc/27/58/64/1033275864.db2.gz RTFSLQKSSBOJCE-AWEZNQCLSA-N 1 1 339.464 3.739 20 30 EHEDMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046528386 1033273679 /nfs/dbraw/zinc/27/36/79/1033273679.db2.gz UWUWLMGNVZVRNL-AWEZNQCLSA-N 1 1 341.842 3.979 20 30 EHEDMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046528386 1033273689 /nfs/dbraw/zinc/27/36/89/1033273689.db2.gz UWUWLMGNVZVRNL-AWEZNQCLSA-N 1 1 341.842 3.979 20 30 EHEDMO C[C@@H]1CSCCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000934303042 1025354392 /nfs/dbraw/zinc/35/43/92/1025354392.db2.gz KELWPAIZBALTCQ-OAHLLOKOSA-N 1 1 341.480 3.565 20 30 EHEDMO C[C@@H]1CSCCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000934303042 1025354405 /nfs/dbraw/zinc/35/44/05/1025354405.db2.gz KELWPAIZBALTCQ-OAHLLOKOSA-N 1 1 341.480 3.565 20 30 EHEDMO C[C@H](c1cccc(NCc2cccc(C#N)c2F)c1)[NH+]1CCOCC1 ZINC000342432501 1025428461 /nfs/dbraw/zinc/42/84/61/1025428461.db2.gz GRGZNSFHYRCCER-OAHLLOKOSA-N 1 1 339.414 3.703 20 30 EHEDMO N#CCCCOc1cccc(C[N@@H+]2CCS[C@H](C(F)(F)F)C2)c1 ZINC000896456493 1025467522 /nfs/dbraw/zinc/46/75/22/1025467522.db2.gz VGQKAPOWKIZTND-HNNXBMFYSA-N 1 1 344.402 3.849 20 30 EHEDMO N#CCCCOc1cccc(C[N@H+]2CCS[C@H](C(F)(F)F)C2)c1 ZINC000896456493 1025467526 /nfs/dbraw/zinc/46/75/26/1025467526.db2.gz VGQKAPOWKIZTND-HNNXBMFYSA-N 1 1 344.402 3.849 20 30 EHEDMO COc1cc(C[N@@H+](C)CCCOc2ccc(F)cc2)ccc1C#N ZINC000442793903 1025489543 /nfs/dbraw/zinc/48/95/43/1025489543.db2.gz BUUXKEOPYBSOFJ-UHFFFAOYSA-N 1 1 328.387 3.607 20 30 EHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H](O)COc1ccc(C)cc1 ZINC000515770105 1025576617 /nfs/dbraw/zinc/57/66/17/1025576617.db2.gz RYQYRVFWMYUWCH-SFHVURJKSA-N 1 1 329.415 3.562 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)COc1ccc(C)cc1 ZINC000515770105 1025576626 /nfs/dbraw/zinc/57/66/26/1025576626.db2.gz RYQYRVFWMYUWCH-SFHVURJKSA-N 1 1 329.415 3.562 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)N1CCc2ccccc21 ZINC000425530685 1025646133 /nfs/dbraw/zinc/64/61/33/1025646133.db2.gz FYHUWFYRPLJLFV-MRXNPFEDSA-N 1 1 333.435 3.530 20 30 EHEDMO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c(C)s1 ZINC000425532083 1025658816 /nfs/dbraw/zinc/65/88/16/1025658816.db2.gz IJTOCFYQKWLVRX-LBPRGKRZSA-N 1 1 328.437 3.908 20 30 EHEDMO CC(C)N(C(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1)C1CCCC1 ZINC000425532282 1025659029 /nfs/dbraw/zinc/65/90/29/1025659029.db2.gz JARJPGPDMHXJMZ-INIZCTEOSA-N 1 1 327.472 3.731 20 30 EHEDMO CC(C)N(C(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)C1CCCC1 ZINC000425532282 1025659037 /nfs/dbraw/zinc/65/90/37/1025659037.db2.gz JARJPGPDMHXJMZ-INIZCTEOSA-N 1 1 327.472 3.731 20 30 EHEDMO C[C@H](NC(=O)c1cc(C(C)(C)C)on1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329350859 1025773168 /nfs/dbraw/zinc/77/31/68/1025773168.db2.gz TXNCWUWWUASMQH-KBPBESRZSA-N 1 1 333.476 3.930 20 30 EHEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC)Cc1ccc(OC)cc1OC ZINC000347275302 1025790837 /nfs/dbraw/zinc/79/08/37/1025790837.db2.gz ZQGNLTNKSFZETR-UHFFFAOYSA-N 1 1 340.423 3.606 20 30 EHEDMO CC[N@H+](Cc1ccc(C#N)cc1OC)Cc1ccc(OC)cc1OC ZINC000347275302 1025790857 /nfs/dbraw/zinc/79/08/57/1025790857.db2.gz ZQGNLTNKSFZETR-UHFFFAOYSA-N 1 1 340.423 3.606 20 30 EHEDMO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)nc1 ZINC000896660915 1025800625 /nfs/dbraw/zinc/80/06/25/1025800625.db2.gz VJHCMXWGJJVXHI-LJQANCHMSA-N 1 1 343.434 3.578 20 30 EHEDMO C#Cc1ccc(C(=O)N(CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000896765935 1025979174 /nfs/dbraw/zinc/97/91/74/1025979174.db2.gz OEFJZQZZYBGAER-NRFANRHFSA-N 1 1 346.474 3.652 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000329576012 1026023590 /nfs/dbraw/zinc/02/35/90/1026023590.db2.gz OEQZVXATDXJBFJ-LAPQFRIASA-N 1 1 344.455 3.738 20 30 EHEDMO CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3CCC(=O)[C@H](C)C3)sc2C1 ZINC000329625341 1026098891 /nfs/dbraw/zinc/09/88/91/1026098891.db2.gz GKUBTFCEOGRKNF-NEPJUHHUSA-N 1 1 335.473 3.503 20 30 EHEDMO CC(C)[N@H+]1CCc2nc(NC(=O)[C@H]3CCC(=O)[C@H](C)C3)sc2C1 ZINC000329625341 1026098907 /nfs/dbraw/zinc/09/89/07/1026098907.db2.gz GKUBTFCEOGRKNF-NEPJUHHUSA-N 1 1 335.473 3.503 20 30 EHEDMO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000451964961 1026401755 /nfs/dbraw/zinc/40/17/55/1026401755.db2.gz CFOKHBMIIAKUCT-GOSISDBHSA-N 1 1 343.446 3.614 20 30 EHEDMO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000451964961 1026401759 /nfs/dbraw/zinc/40/17/59/1026401759.db2.gz CFOKHBMIIAKUCT-GOSISDBHSA-N 1 1 343.446 3.614 20 30 EHEDMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)C[C@H]1c1ccccc1 ZINC000452001925 1026442013 /nfs/dbraw/zinc/44/20/13/1026442013.db2.gz GGZYRTFXNOORGD-RYGJVYDSSA-N 1 1 334.419 3.508 20 30 EHEDMO C=CC[N@@H+](Cc1ccc2c(c1)ncn2C)Cc1cccc([N+](=O)[O-])c1 ZINC000342634377 1026526995 /nfs/dbraw/zinc/52/69/95/1026526995.db2.gz JGMRPEVUBLJBAI-UHFFFAOYSA-N 1 1 336.395 3.670 20 30 EHEDMO C=CC[N@H+](Cc1ccc2c(c1)ncn2C)Cc1cccc([N+](=O)[O-])c1 ZINC000342634377 1026527001 /nfs/dbraw/zinc/52/70/01/1026527001.db2.gz JGMRPEVUBLJBAI-UHFFFAOYSA-N 1 1 336.395 3.670 20 30 EHEDMO C=CC[C@H](CC)NC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000684929502 1026687506 /nfs/dbraw/zinc/68/75/06/1026687506.db2.gz MHKSYRAJMKSUPJ-MJGOQNOKSA-N 1 1 329.488 3.647 20 30 EHEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(OC)c(O)c2Br)C1 ZINC000628406835 1026903496 /nfs/dbraw/zinc/90/34/96/1026903496.db2.gz RWICGNKZOYKPNQ-NSHDSACASA-N 1 1 326.234 3.561 20 30 EHEDMO Clc1ccccc1C#CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000135217442 1027041194 /nfs/dbraw/zinc/04/11/94/1027041194.db2.gz YIEQPOUGBJMOAX-YLJYHZDGSA-N 1 1 328.887 3.640 20 30 EHEDMO CC[N@@H+](CCc1ccccc1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075639073 1027185214 /nfs/dbraw/zinc/18/52/14/1027185214.db2.gz QOYDAZMWUIGUKX-UHFFFAOYSA-N 1 1 332.407 3.673 20 30 EHEDMO CC1(C)CC(NCc2cccc(OCCCC#N)c2)CC(C)(C)[NH2+]1 ZINC000103341050 1027428338 /nfs/dbraw/zinc/42/83/38/1027428338.db2.gz OJQFHKVVZWODKF-UHFFFAOYSA-N 1 1 329.488 3.768 20 30 EHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)ccc1F ZINC000121383043 1027585157 /nfs/dbraw/zinc/58/51/57/1027585157.db2.gz FLITZGVGPCFYDQ-MRXNPFEDSA-N 1 1 340.373 3.931 20 30 EHEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)ccc1F ZINC000121383043 1027585171 /nfs/dbraw/zinc/58/51/71/1027585171.db2.gz FLITZGVGPCFYDQ-MRXNPFEDSA-N 1 1 340.373 3.931 20 30 EHEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(F)c(F)c1 ZINC000187767552 1027606810 /nfs/dbraw/zinc/60/68/10/1027606810.db2.gz DSIUDUARERUEKG-INIZCTEOSA-N 1 1 347.390 3.743 20 30 EHEDMO Cc1ccc(N2CCC(Nc3cc(Cl)ccc3C#N)CC2)[nH+]c1 ZINC000078305476 1027656766 /nfs/dbraw/zinc/65/67/66/1027656766.db2.gz VEAJIJFWYWOTLZ-UHFFFAOYSA-N 1 1 326.831 3.996 20 30 EHEDMO CC(C)C[C@H](NC(=O)C[N@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000026326103 1027708345 /nfs/dbraw/zinc/70/83/45/1027708345.db2.gz OGTFWGOUXKBECA-NRFANRHFSA-N 1 1 349.478 3.894 20 30 EHEDMO CC(C)C[C@H](NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000026326103 1027708364 /nfs/dbraw/zinc/70/83/64/1027708364.db2.gz OGTFWGOUXKBECA-NRFANRHFSA-N 1 1 349.478 3.894 20 30 EHEDMO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000186627873 1027709540 /nfs/dbraw/zinc/70/95/40/1027709540.db2.gz CQLFWJPFJDZZSI-VLIAUNLRSA-N 1 1 334.398 3.871 20 30 EHEDMO C=C(C)[C@H]([NH2+]CC(=O)N(C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000187769765 1027824534 /nfs/dbraw/zinc/82/45/34/1027824534.db2.gz GRNSKWWRTOIDPR-IBGZPJMESA-N 1 1 330.378 3.835 20 30 EHEDMO N#CCCCOc1cccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000414482771 1027937291 /nfs/dbraw/zinc/93/72/91/1027937291.db2.gz GNXLJEGUKQKIQJ-CTNGQTDRSA-N 1 1 336.435 3.677 20 30 EHEDMO Cc1cc(C)c2ncc(C#N)c(N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000091480225 1028031235 /nfs/dbraw/zinc/03/12/35/1028031235.db2.gz OXSZBOOSSQWRFK-HNNXBMFYSA-N 1 1 331.423 3.830 20 30 EHEDMO CCC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000533538694 1028048708 /nfs/dbraw/zinc/04/87/08/1028048708.db2.gz LJPLDSCOQQHLFJ-BHIYHBOVSA-N 1 1 328.456 3.592 20 30 EHEDMO C#CCOc1ccc(CNC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000237730620 1028060954 /nfs/dbraw/zinc/06/09/54/1028060954.db2.gz WEZMQDLHYKNJLJ-UHFFFAOYSA-N 1 1 348.490 3.761 20 30 EHEDMO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000121483113 1028120843 /nfs/dbraw/zinc/12/08/43/1028120843.db2.gz QYJLQMSXYXNLKF-INIZCTEOSA-N 1 1 340.448 3.866 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000121483113 1028120852 /nfs/dbraw/zinc/12/08/52/1028120852.db2.gz QYJLQMSXYXNLKF-INIZCTEOSA-N 1 1 340.448 3.866 20 30 EHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000502446840 1028220452 /nfs/dbraw/zinc/22/04/52/1028220452.db2.gz BQXNFZRFKSKVMI-KRWDZBQOSA-N 1 1 340.442 3.561 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000502446840 1028220469 /nfs/dbraw/zinc/22/04/69/1028220469.db2.gz BQXNFZRFKSKVMI-KRWDZBQOSA-N 1 1 340.442 3.561 20 30 EHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000502452965 1028225640 /nfs/dbraw/zinc/22/56/40/1028225640.db2.gz BINFQMCLGQSFJL-MOPGFXCFSA-N 1 1 336.479 3.983 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000502452965 1028225659 /nfs/dbraw/zinc/22/56/59/1028225659.db2.gz BINFQMCLGQSFJL-MOPGFXCFSA-N 1 1 336.479 3.983 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](C(C)C)C2)c1C ZINC000444764023 1028248624 /nfs/dbraw/zinc/24/86/24/1028248624.db2.gz ACEJMKGWRUYEGF-LJQANCHMSA-N 1 1 341.499 3.918 20 30 EHEDMO C=CC[C@H]1[N@@H+](Cc2cc(=O)n3c(C)cccc3n2)CCCC1(C)C ZINC000444783514 1028280822 /nfs/dbraw/zinc/28/08/22/1028280822.db2.gz KQWCZRNZIUSOBG-QGZVFWFLSA-N 1 1 325.456 3.570 20 30 EHEDMO C=CC[C@@H]1[N@@H+](C[C@@H](O)COc2cccc(C(C)=O)c2)CCCC1(C)C ZINC000444788818 1028287373 /nfs/dbraw/zinc/28/73/73/1028287373.db2.gz XZLYZZTYOLOPHA-QUCCMNQESA-N 1 1 345.483 3.696 20 30 EHEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@]23CCOC3)c1 ZINC000421402417 1028348199 /nfs/dbraw/zinc/34/81/99/1028348199.db2.gz VXJQMDQPXHCGMF-OAQYLSRUSA-N 1 1 334.419 3.502 20 30 EHEDMO COc1ccc(Cl)cc1C[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000016422608 1028462453 /nfs/dbraw/zinc/46/24/53/1028462453.db2.gz XSSZMUFAOQZGDF-UHFFFAOYSA-N 1 1 330.815 3.731 20 30 EHEDMO CC1(C)CCc2ccccc2[C@@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000440628190 1028471067 /nfs/dbraw/zinc/47/10/67/1028471067.db2.gz SJIODUKLKZTDEF-PMACEKPBSA-N 1 1 347.462 3.778 20 30 EHEDMO C=CC[C@@H]1N(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CCCC1(C)C ZINC000445006873 1028474766 /nfs/dbraw/zinc/47/47/66/1028474766.db2.gz DCBSGLXOUBVCGQ-WBVHZDCISA-N 1 1 332.492 3.604 20 30 EHEDMO COc1cc(C[NH2+]Cc2cccc(C)c2Br)ccc1C#N ZINC000440629991 1028478477 /nfs/dbraw/zinc/47/84/77/1028478477.db2.gz VLCWJTLZEAUWMB-UHFFFAOYSA-N 1 1 345.240 3.928 20 30 EHEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)COc3ccc(C#N)cc3)c2C1 ZINC000162197557 1028498214 /nfs/dbraw/zinc/49/82/14/1028498214.db2.gz UAEHOBUHSVCAKR-UHFFFAOYSA-N 1 1 349.434 3.547 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cccc(C#N)c1 ZINC000072073504 1028498742 /nfs/dbraw/zinc/49/87/42/1028498742.db2.gz MBVFHYPQHHUTED-UHFFFAOYSA-N 1 1 328.419 3.932 20 30 EHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCc3c2cccc3C#N)cc1 ZINC000421650345 1028622727 /nfs/dbraw/zinc/62/27/27/1028622727.db2.gz GYWWWJQEDDKPQH-UHFFFAOYSA-N 1 1 347.462 3.993 20 30 EHEDMO CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)Cc2cccc(C#N)c2)cc1 ZINC000343015005 1028645225 /nfs/dbraw/zinc/64/52/25/1028645225.db2.gz MCWQTXFIVVWTAV-MRXNPFEDSA-N 1 1 335.451 3.559 20 30 EHEDMO CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)Cc2cccc(C#N)c2)cc1 ZINC000343015005 1028645237 /nfs/dbraw/zinc/64/52/37/1028645237.db2.gz MCWQTXFIVVWTAV-MRXNPFEDSA-N 1 1 335.451 3.559 20 30 EHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccco1 ZINC000246791114 1028691678 /nfs/dbraw/zinc/69/16/78/1028691678.db2.gz AJMZXCVSCDOPBZ-ROUUACIJSA-N 1 1 327.424 3.585 20 30 EHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@](C)(F)C3)sc2C1 ZINC000347343853 1028732181 /nfs/dbraw/zinc/73/21/81/1028732181.db2.gz HOHSKBAMLGZYFG-XIKOKIGWSA-N 1 1 349.475 3.507 20 30 EHEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(SCC#N)c1 ZINC000079539484 1028831910 /nfs/dbraw/zinc/83/19/10/1028831910.db2.gz RBTKXPRQMUPYFO-QGZVFWFLSA-N 1 1 345.512 3.687 20 30 EHEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1cccc(O)c1 ZINC000191820908 1029029609 /nfs/dbraw/zinc/02/96/09/1029029609.db2.gz QHGQSMAOCVEILU-LLVKDONJSA-N 1 1 331.213 3.877 20 30 EHEDMO C=C1CC[NH+]([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000532961302 1029131184 /nfs/dbraw/zinc/13/11/84/1029131184.db2.gz HLMZEQXKQNEKBI-SFHVURJKSA-N 1 1 334.463 3.933 20 30 EHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CC3CCC3)sc2C1 ZINC000532980374 1029135112 /nfs/dbraw/zinc/13/51/12/1029135112.db2.gz MYLWNMGZLYUGAC-CYBMUJFWSA-N 1 1 345.512 3.805 20 30 EHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cccc(C#N)c2)cc1 ZINC000343098383 1029149441 /nfs/dbraw/zinc/14/94/41/1029149441.db2.gz WWHUBPLYAUGWEL-KRWDZBQOSA-N 1 1 347.462 3.863 20 30 EHEDMO CSCC[C@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000163473295 1029461613 /nfs/dbraw/zinc/46/16/13/1029461613.db2.gz SWYLOPSAOJTCNP-KRWDZBQOSA-N 1 1 347.528 3.624 20 30 EHEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](C)c1c(Cl)cccc1Cl ZINC000729811898 1029562613 /nfs/dbraw/zinc/56/26/13/1029562613.db2.gz FZMLUYSLAHIJSL-CHWSQXEVSA-N 1 1 340.250 3.738 20 30 EHEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)C1CCN(Cc2ccccc2)CC1 ZINC000192105544 1029583625 /nfs/dbraw/zinc/58/36/25/1029583625.db2.gz GBTQFRGNNCOHSQ-UHFFFAOYSA-N 1 1 337.442 3.794 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)C1CCN(Cc2ccccc2)CC1 ZINC000192105544 1029583629 /nfs/dbraw/zinc/58/36/29/1029583629.db2.gz GBTQFRGNNCOHSQ-UHFFFAOYSA-N 1 1 337.442 3.794 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1F ZINC000192114944 1029591278 /nfs/dbraw/zinc/59/12/78/1029591278.db2.gz XKTBEUQQODILRJ-HNNXBMFYSA-N 1 1 328.412 3.996 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1F ZINC000192114944 1029591285 /nfs/dbraw/zinc/59/12/85/1029591285.db2.gz XKTBEUQQODILRJ-HNNXBMFYSA-N 1 1 328.412 3.996 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(F)c1C#N ZINC000428439258 1029599339 /nfs/dbraw/zinc/59/93/39/1029599339.db2.gz LXLNWZIYMPGJRT-IIBYNOLFSA-N 1 1 337.442 3.698 20 30 EHEDMO C[N@H+]1CCC[C@H](CNCc2ccc(C#N)cc2F)[C@@H]1c1cccs1 ZINC000533309057 1029611563 /nfs/dbraw/zinc/61/15/63/1029611563.db2.gz UWDKSERIWSDXOT-VQIMIIECSA-N 1 1 343.471 3.932 20 30 EHEDMO CN1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@@H]1c1cccs1 ZINC000533309057 1029611570 /nfs/dbraw/zinc/61/15/70/1029611570.db2.gz UWDKSERIWSDXOT-VQIMIIECSA-N 1 1 343.471 3.932 20 30 EHEDMO CC(C)(C#N)CCCC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000278206750 1029661035 /nfs/dbraw/zinc/66/10/35/1029661035.db2.gz SPBDFZCUWARIOL-UHFFFAOYSA-N 1 1 338.499 3.786 20 30 EHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H](C)CCC[C@@H]2C)c(OC)c1 ZINC000525127695 1029699309 /nfs/dbraw/zinc/69/93/09/1029699309.db2.gz NHZYNOLOSKIYLA-ZIFCJYIRSA-N 1 1 347.499 3.674 20 30 EHEDMO C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000347384747 1029718674 /nfs/dbraw/zinc/71/86/74/1029718674.db2.gz XQUBVWDXWOQCNZ-HUUCEWRRSA-N 1 1 333.863 3.707 20 30 EHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(CC#N)cc2Cl)[C@@H](C)C1 ZINC000455695791 1029838369 /nfs/dbraw/zinc/83/83/69/1029838369.db2.gz BLSHNLYDPFDRPH-SUMWQHHRSA-N 1 1 348.878 3.600 20 30 EHEDMO CC(C)[N@@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000531897968 1030001663 /nfs/dbraw/zinc/00/16/63/1030001663.db2.gz JRASMCDOYMPPJB-PXNSSMCTSA-N 1 1 341.499 3.806 20 30 EHEDMO Cc1sc(NC(=O)[C@H]2CCC[N@H+]2C)nc1-c1c[nH]c2ncccc12 ZINC000329206184 1030016748 /nfs/dbraw/zinc/01/67/48/1030016748.db2.gz XHXXEDGXFKANMK-CYBMUJFWSA-N 1 1 341.440 3.677 20 30 EHEDMO Cc1sc(NC(=O)[C@H]2CCC[N@@H+]2C)nc1-c1c[nH]c2ncccc12 ZINC000329206184 1030016765 /nfs/dbraw/zinc/01/67/65/1030016765.db2.gz XHXXEDGXFKANMK-CYBMUJFWSA-N 1 1 341.440 3.677 20 30 EHEDMO Cc1nc(C[NH2+][C@H](C)c2cccc(C#N)c2)sc1Br ZINC000453275685 1030055838 /nfs/dbraw/zinc/05/58/38/1030055838.db2.gz YYQOEBOYRCMENM-SECBINFHSA-N 1 1 336.258 3.937 20 30 EHEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000022548996 1030060582 /nfs/dbraw/zinc/06/05/82/1030060582.db2.gz ZUNGJTQKUMVXBV-FQEVSTJZSA-N 1 1 333.435 3.770 20 30 EHEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000245455345 1030078827 /nfs/dbraw/zinc/07/88/27/1030078827.db2.gz SMLQVMLJMHPJKY-GOEBONIOSA-N 1 1 329.469 3.505 20 30 EHEDMO C=C[C@@H](CC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000245641569 1030190495 /nfs/dbraw/zinc/19/04/95/1030190495.db2.gz KOVJSZQBCQYFBB-OALUTQOASA-N 1 1 328.500 3.975 20 30 EHEDMO CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000428487240 1030223576 /nfs/dbraw/zinc/22/35/76/1030223576.db2.gz FMCZKVLWUKKXRL-HXUWFJFHSA-N 1 1 326.415 3.861 20 30 EHEDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000428487240 1030223591 /nfs/dbraw/zinc/22/35/91/1030223591.db2.gz FMCZKVLWUKKXRL-HXUWFJFHSA-N 1 1 326.415 3.861 20 30 EHEDMO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000526135490 1030439868 /nfs/dbraw/zinc/43/98/68/1030439868.db2.gz RBVZMWHUAPBFFQ-NSHDSACASA-N 1 1 340.254 3.549 20 30 EHEDMO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000526135490 1030439871 /nfs/dbraw/zinc/43/98/71/1030439871.db2.gz RBVZMWHUAPBFFQ-NSHDSACASA-N 1 1 340.254 3.549 20 30 EHEDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000482509369 1030490188 /nfs/dbraw/zinc/49/01/88/1030490188.db2.gz NJXWSRLKWMRJGX-ROUUACIJSA-N 1 1 349.478 3.662 20 30 EHEDMO C[C@H]1[C@H](C)[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCN1C ZINC000482509369 1030490203 /nfs/dbraw/zinc/49/02/03/1030490203.db2.gz NJXWSRLKWMRJGX-ROUUACIJSA-N 1 1 349.478 3.662 20 30 EHEDMO Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2CCC(=O)N(C)CCC#N)cc1 ZINC000092797495 1030525364 /nfs/dbraw/zinc/52/53/64/1030525364.db2.gz GYUKKUZILSQYCV-PXNSSMCTSA-N 1 1 327.472 3.530 20 30 EHEDMO C=CC[N@H+](CCC(=O)Nc1ccc(C(C)=O)cc1)Cc1cccs1 ZINC000198386012 1030528029 /nfs/dbraw/zinc/52/80/29/1030528029.db2.gz FQYVVGDRMNDTCL-UHFFFAOYSA-N 1 1 342.464 3.968 20 30 EHEDMO CCSCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447884934 1030564568 /nfs/dbraw/zinc/56/45/68/1030564568.db2.gz BGGGUWBTUJEKQP-QAPCUYQASA-N 1 1 345.512 3.517 20 30 EHEDMO CC(=O)c1ccc(C#N)c(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000160233214 1030606120 /nfs/dbraw/zinc/60/61/20/1030606120.db2.gz SUNDCCRHMDMSAV-VFNWGFHPSA-N 1 1 333.435 3.693 20 30 EHEDMO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000527377561 1030888490 /nfs/dbraw/zinc/88/84/90/1030888490.db2.gz QDJNIULDSZMMDJ-MRXNPFEDSA-N 1 1 345.830 3.608 20 30 EHEDMO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000527377561 1030888513 /nfs/dbraw/zinc/88/85/13/1030888513.db2.gz QDJNIULDSZMMDJ-MRXNPFEDSA-N 1 1 345.830 3.608 20 30 EHEDMO C=CC[C@H](C)NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247082719 1030892338 /nfs/dbraw/zinc/89/23/38/1030892338.db2.gz RBOIETBHCLCTOK-IHPCNDPISA-N 1 1 341.499 3.647 20 30 EHEDMO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000160900297 1031149919 /nfs/dbraw/zinc/14/99/19/1031149919.db2.gz AAMXTESLGCWDMW-OALUTQOASA-N 1 1 330.435 3.915 20 30 EHEDMO Cc1nc2ccccn2c1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000160900297 1031149927 /nfs/dbraw/zinc/14/99/27/1031149927.db2.gz AAMXTESLGCWDMW-OALUTQOASA-N 1 1 330.435 3.915 20 30 EHEDMO C=CCCC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000483766369 1031332474 /nfs/dbraw/zinc/33/24/74/1031332474.db2.gz ZLQJYKUKEHVNQI-IEBWSBKVSA-N 1 1 326.484 3.760 20 30 EHEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000477486012 1031589167 /nfs/dbraw/zinc/58/91/67/1031589167.db2.gz ANHLAOWGJKPFJT-GOSISDBHSA-N 1 1 336.391 3.503 20 30 EHEDMO Cc1ccccc1[C@H](C)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC(C)C ZINC000551723258 1031602637 /nfs/dbraw/zinc/60/26/37/1031602637.db2.gz ZARVEMGNNRXMDU-LAUBAEHRSA-N 1 1 341.499 3.823 20 30 EHEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000533934470 1031699514 /nfs/dbraw/zinc/69/95/14/1031699514.db2.gz MMJPYOBFJGRNIW-FXAWDEMLSA-N 1 1 341.499 3.955 20 30 EHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000475737152 1031717792 /nfs/dbraw/zinc/71/77/92/1031717792.db2.gz CNSCIVZFQCWBKZ-YZVOILCLSA-N 1 1 349.906 3.818 20 30 EHEDMO COc1ccc(C[N@H+](C)Cc2cnc(C)s2)cc1OCCCC#N ZINC000179383681 1031744228 /nfs/dbraw/zinc/74/42/28/1031744228.db2.gz DVORKIMRWMAAFK-UHFFFAOYSA-N 1 1 345.468 3.775 20 30 EHEDMO COc1ccc(C[N@@H+](C)Cc2cnc(C)s2)cc1OCCCC#N ZINC000179383681 1031744233 /nfs/dbraw/zinc/74/42/33/1031744233.db2.gz DVORKIMRWMAAFK-UHFFFAOYSA-N 1 1 345.468 3.775 20 30 EHEDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000343704935 1032012203 /nfs/dbraw/zinc/01/22/03/1032012203.db2.gz HKVKRBAEBKHYOY-HOTGVXAUSA-N 1 1 333.451 3.829 20 30 EHEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC001168106029 1032016822 /nfs/dbraw/zinc/01/68/22/1032016822.db2.gz NGIHVONGVAMLEZ-QGZVFWFLSA-N 1 1 331.456 3.877 20 30 EHEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cc1 ZINC000343707326 1032029839 /nfs/dbraw/zinc/02/98/39/1032029839.db2.gz HSSSBECWUKPVNN-LJQANCHMSA-N 1 1 330.435 3.767 20 30 EHEDMO C=C(C)COc1cc(CN2CCC[N@H+](C(C)(C)C)CC2)ccc1OC ZINC000536653927 1032043383 /nfs/dbraw/zinc/04/33/83/1032043383.db2.gz LLTUOPFJOASSAZ-UHFFFAOYSA-N 1 1 346.515 3.956 20 30 EHEDMO C[C@@H](c1ccccc1Br)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598587578 1033313929 /nfs/dbraw/zinc/31/39/29/1033313929.db2.gz RRPQBODHHOGZAZ-STQMWFEESA-N 1 1 339.277 3.743 20 30 EHEDMO CCC[N@H+](Cc1c(F)cccc1Cl)C[C@H](O)CC(C)(C)C#N ZINC000598587336 1033314155 /nfs/dbraw/zinc/31/41/55/1033314155.db2.gz QIKDFYHMGMNFRD-CYBMUJFWSA-N 1 1 326.843 3.992 20 30 EHEDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598586517 1033315600 /nfs/dbraw/zinc/31/56/00/1033315600.db2.gz HLLILKDGGMXJTK-SWLSCSKDSA-N 1 1 328.378 3.999 20 30 EHEDMO COc1ccc(OC)c(C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C(C)(C)C)c1 ZINC000598592847 1033317457 /nfs/dbraw/zinc/31/74/57/1033317457.db2.gz MERVNIUGHQQHMH-INIZCTEOSA-N 1 1 348.487 3.605 20 30 EHEDMO CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598621573 1033332102 /nfs/dbraw/zinc/33/21/02/1033332102.db2.gz IZRXSGCQPICFLM-MRXNPFEDSA-N 1 1 342.405 3.871 20 30 EHEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000449863672 1033339644 /nfs/dbraw/zinc/33/96/44/1033339644.db2.gz IKGYKGFWTGOIRH-HNNXBMFYSA-N 1 1 340.389 3.608 20 30 EHEDMO CC[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000063499026 1033405975 /nfs/dbraw/zinc/40/59/75/1033405975.db2.gz GHRAMDAYANXREC-KRWDZBQOSA-N 1 1 339.464 3.958 20 30 EHEDMO CC(C)n1cc(C(C)(C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)nn1 ZINC000594507895 1033407031 /nfs/dbraw/zinc/40/70/31/1033407031.db2.gz REDLVFFOUPBDCB-UHFFFAOYSA-N 1 1 325.460 3.685 20 30 EHEDMO C[N@@H+](Cc1cn(Cc2ccc(C#N)cc2Cl)nn1)C1CCCCC1 ZINC000603226773 1033449142 /nfs/dbraw/zinc/44/91/42/1033449142.db2.gz LKFUDZNTHFKUKR-UHFFFAOYSA-N 1 1 343.862 3.616 20 30 EHEDMO C=CCN1CC[C@@H]([NH2+][C@H](c2ccccc2)c2cccc(Cl)c2)C1=O ZINC000537507733 1033537785 /nfs/dbraw/zinc/53/77/85/1033537785.db2.gz FJDQQPBPALSLNI-RTBURBONSA-N 1 1 340.854 3.806 20 30 EHEDMO N#Cc1ccc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)o1 ZINC000599017097 1033665026 /nfs/dbraw/zinc/66/50/26/1033665026.db2.gz XWWGJJKDHILDCW-HNNXBMFYSA-N 1 1 325.195 3.671 20 30 EHEDMO CC[N@@H+](Cc1cc(C#N)ccc1F)[C@H](COC)Cc1ccccc1 ZINC000472347764 1033690249 /nfs/dbraw/zinc/69/02/49/1033690249.db2.gz JDZQKGJBAIGXEH-IBGZPJMESA-N 1 1 326.415 3.777 20 30 EHEDMO COc1ccc(C[N@@H+](C)CCc2ccc(C#N)cc2)cc1OC(F)F ZINC000595295892 1033720551 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1033928279 /nfs/dbraw/zinc/92/82/79/1033928279.db2.gz ULPAGJYNNZJFLM-QGZVFWFLSA-N 1 1 333.435 3.918 20 30 EHEDMO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000595617099 1033928291 /nfs/dbraw/zinc/92/82/91/1033928291.db2.gz ULPAGJYNNZJFLM-QGZVFWFLSA-N 1 1 333.435 3.918 20 30 EHEDMO N#CC1(NC(=O)C[N@H+]2CCC[C@@H](c3ccccc3)CC2)CCCCC1 ZINC000608977388 1033970000 /nfs/dbraw/zinc/97/00/00/1033970000.db2.gz ILLHBVUTGALEDB-LJQANCHMSA-N 1 1 339.483 3.599 20 30 EHEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000599526799 1033987021 /nfs/dbraw/zinc/98/70/21/1033987021.db2.gz SUHVQHFJLFGPSP-HZPDHXFCSA-N 1 1 343.496 3.917 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1Cl ZINC000599552692 1034005325 /nfs/dbraw/zinc/00/53/25/1034005325.db2.gz HWKZEIOYLOLESL-CABCVRRESA-N 1 1 349.887 3.510 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595844952 1034007293 /nfs/dbraw/zinc/00/72/93/1034007293.db2.gz JHIFRPJEVUELSX-WQVCFCJDSA-N 1 1 340.383 3.889 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCc1ccccc1 ZINC000603892699 1034014129 /nfs/dbraw/zinc/01/41/29/1034014129.db2.gz XYHHMABWDYPBHG-UHFFFAOYSA-N 1 1 341.842 3.715 20 30 EHEDMO CC[N@H+](Cc1ccn(CC(F)(F)F)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000450284097 1034049128 /nfs/dbraw/zinc/04/91/28/1034049128.db2.gz KWXPHCRFKHQQNR-CYBMUJFWSA-N 1 1 336.361 3.900 20 30 EHEDMO CC[N@@H+](Cc1ccn(CC(F)(F)F)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000450284097 1034049144 /nfs/dbraw/zinc/04/91/44/1034049144.db2.gz KWXPHCRFKHQQNR-CYBMUJFWSA-N 1 1 336.361 3.900 20 30 EHEDMO C=CC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000534055744 1034080224 /nfs/dbraw/zinc/08/02/24/1034080224.db2.gz SBWZROYWPFBUAO-ROUUACIJSA-N 1 1 347.890 3.693 20 30 EHEDMO C=CC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000534055744 1034080237 /nfs/dbraw/zinc/08/02/37/1034080237.db2.gz SBWZROYWPFBUAO-ROUUACIJSA-N 1 1 347.890 3.693 20 30 EHEDMO CC[N@@H+](CCC1CCN(c2nc(C#N)ccc2C)CC1)CC1CC1 ZINC000596181732 1034099854 /nfs/dbraw/zinc/09/98/54/1034099854.db2.gz FEIFORKIARYHGM-UHFFFAOYSA-N 1 1 326.488 3.600 20 30 EHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)cc1F ZINC000599680080 1034107318 /nfs/dbraw/zinc/10/73/18/1034107318.db2.gz QCRJZAOJPASYKQ-OAHLLOKOSA-N 1 1 328.362 3.835 20 30 EHEDMO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC(C#N)CC1 ZINC000057907662 1034261716 /nfs/dbraw/zinc/26/17/16/1034261716.db2.gz CSUDURKFQRIKDV-KRWDZBQOSA-N 1 1 347.462 3.516 20 30 EHEDMO N#Cc1c(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)cccc1C(F)F ZINC000596515287 1034271242 /nfs/dbraw/zinc/27/12/42/1034271242.db2.gz TZJWRJKMTBDOCJ-IAGOWNOFSA-N 1 1 347.409 3.551 20 30 EHEDMO N#Cc1ncccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000596526539 1034275301 /nfs/dbraw/zinc/27/53/01/1034275301.db2.gz PZBJTRKNVSZUIN-SFHVURJKSA-N 1 1 332.451 3.667 20 30 EHEDMO C[C@]1(C#N)CCC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000612163873 1034327755 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20 30 EHEDMO C=CCC(C)(C)CNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000432363462 1043001785 /nfs/dbraw/zinc/00/17/85/1043001785.db2.gz VOLIDOOTTJZUBP-PKOBYXMFSA-N 1 1 343.515 3.799 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344066077 1043201229 /nfs/dbraw/zinc/20/12/29/1043201229.db2.gz PJHOAMMABCVQLX-SJORKVTESA-N 1 1 343.446 3.749 20 30 EHEDMO CCOC(=O)CCC1CC[NH+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139691090 1043352005 /nfs/dbraw/zinc/35/20/05/1043352005.db2.gz RPRRSWRBHUQALI-UHFFFAOYSA-N 1 1 334.847 3.767 20 30 EHEDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000512160531 1043526928 /nfs/dbraw/zinc/52/69/28/1043526928.db2.gz AUXIZALPRIWZFE-UTKZUKDTSA-N 1 1 347.462 3.648 20 30 EHEDMO CCC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CC(C)C ZINC000279384629 1044019184 /nfs/dbraw/zinc/01/91/84/1044019184.db2.gz KPUAZBBYYDPDSD-UHFFFAOYSA-N 1 1 325.460 3.727 20 30 EHEDMO Cc1c(C#N)cccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000344459370 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EHEDMO C=CCCC(C)(C)NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000620855599 1125781832 /nfs/dbraw/zinc/78/18/32/1125781832.db2.gz GSKKXWPMQHONJL-CHWSQXEVSA-N 1 1 334.426 3.756 20 30 EHEDMO Cc1ccc(-c2noc([C@@H](C)O[NH+]=C(N)C3CCCC3)n2)cc1F ZINC000072919936 1126934743 /nfs/dbraw/zinc/93/47/43/1126934743.db2.gz VSFBPPIXLZQCRU-LLVKDONJSA-N 1 1 332.379 3.724 20 30 EHEDMO C=CC[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000623455140 1126959129 /nfs/dbraw/zinc/95/91/29/1126959129.db2.gz DDSWFJPGDRYHFO-KRWDZBQOSA-N 1 1 329.488 3.634 20 30 EHEDMO C=CCOc1c(Cl)cc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)cc1OC ZINC000623540671 1126980616 /nfs/dbraw/zinc/98/06/16/1126980616.db2.gz BRODIOCINABIDQ-DOMZBBRYSA-N 1 1 347.846 3.906 20 30 EHEDMO N#Cc1ccccc1-c1ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)cc1 ZINC000083444877 1127322554 /nfs/dbraw/zinc/32/25/54/1127322554.db2.gz VIIPFXUFADQUKC-UHFFFAOYSA-N 1 1 343.434 3.723 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1/N=C/c1cc(Cl)ccc1O ZINC000764887797 1127546289 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3.683 20 30 EHEDMO N#Cc1cc(C[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)cs1 ZINC000921630628 1127900922 /nfs/dbraw/zinc/90/09/22/1127900922.db2.gz SUOOPIAZXJFINS-CQSZACIVSA-N 1 1 331.510 3.683 20 30 EHEDMO C=CCCOCCCCC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000347573995 1128109558 /nfs/dbraw/zinc/10/95/58/1128109558.db2.gz XLQMLJHZPPVCEP-UHFFFAOYSA-N 1 1 346.471 3.523 20 30 EHEDMO CCC1CC[NH+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000108360100 1128131028 /nfs/dbraw/zinc/13/10/28/1128131028.db2.gz JEDIFBMEEVLZCX-OAHLLOKOSA-N 1 1 345.512 3.999 20 30 EHEDMO CC[N@@H+]1CCCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000553057383 1128147617 /nfs/dbraw/zinc/14/76/17/1128147617.db2.gz AYQYFAIPOZCFMI-UHFFFAOYSA-N 1 1 342.668 3.506 20 30 EHEDMO CC[N@H+]1CCCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000553057383 1128147620 /nfs/dbraw/zinc/14/76/20/1128147620.db2.gz AYQYFAIPOZCFMI-UHFFFAOYSA-N 1 1 342.668 3.506 20 30 EHEDMO CC(=O)c1ccc(C#N)c(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000273236958 1128455523 /nfs/dbraw/zinc/45/55/23/1128455523.db2.gz 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WSPSURSTPJBGAO-RDJZCZTQSA-N 1 1 342.443 3.557 20 30 EHEDMO N#Cc1cccc(C#N)c1NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000302881030 1128653448 /nfs/dbraw/zinc/65/34/48/1128653448.db2.gz ISKOHWCDEUNYQB-UHFFFAOYSA-N 1 1 336.826 3.554 20 30 EHEDMO N#Cc1cccc(C#N)c1NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000302881030 1128653450 /nfs/dbraw/zinc/65/34/50/1128653450.db2.gz ISKOHWCDEUNYQB-UHFFFAOYSA-N 1 1 336.826 3.554 20 30 EHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000072697404 1128733811 /nfs/dbraw/zinc/73/38/11/1128733811.db2.gz KTCBFAOXQJZLSG-BETUJISGSA-N 1 1 331.485 3.700 20 30 EHEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1ccccc1)C1CC1 ZINC000073894783 1128782495 /nfs/dbraw/zinc/78/24/95/1128782495.db2.gz IGSNCLASDBUFBC-UHFFFAOYSA-N 1 1 339.826 3.815 20 30 EHEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1ccccc1)C1CC1 ZINC000073894783 1128782500 /nfs/dbraw/zinc/78/25/00/1128782500.db2.gz IGSNCLASDBUFBC-UHFFFAOYSA-N 1 1 339.826 3.815 20 30 EHEDMO C[C@H]1C[C@@H](NCc2csc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000921816801 1128784138 /nfs/dbraw/zinc/78/41/38/1128784138.db2.gz KCNITBLHPVGTKT-YJBOKZPZSA-N 1 1 325.481 3.762 20 30 EHEDMO C[C@H]1C[C@@H]([NH2+]Cc2csc(C#N)c2)CCN1Cc1ccccc1 ZINC000921816801 1128784140 /nfs/dbraw/zinc/78/41/40/1128784140.db2.gz KCNITBLHPVGTKT-YJBOKZPZSA-N 1 1 325.481 3.762 20 30 EHEDMO CC[C@@H](C)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000110791629 1128807330 /nfs/dbraw/zinc/80/73/30/1128807330.db2.gz DCZJZIABXYUCEV-CYBMUJFWSA-N 1 1 333.501 3.948 20 30 EHEDMO Cc1ccc(C[C@H](C)[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000075752318 1128879232 /nfs/dbraw/zinc/87/92/32/1128879232.db2.gz GZKZPKBNMVFTLL-INIZCTEOSA-N 1 1 346.434 3.980 20 30 EHEDMO C=CC(C)(C)CCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001670613493 1120090214 /nfs/dbraw/zinc/09/02/14/1120090214.db2.gz CGQTYWMTJXCEAD-ROUUACIJSA-N 1 1 347.478 3.863 20 30 EHEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000043644069 1120227021 /nfs/dbraw/zinc/22/70/21/1120227021.db2.gz IBPKZAKNKCANLS-UHFFFAOYSA-N 1 1 328.378 3.562 20 30 EHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000043644069 1120227027 /nfs/dbraw/zinc/22/70/27/1120227027.db2.gz IBPKZAKNKCANLS-UHFFFAOYSA-N 1 1 328.378 3.562 20 30 EHEDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc(C#N)c(Br)c1 ZINC000228174354 1120265904 /nfs/dbraw/zinc/26/59/04/1120265904.db2.gz HAUMFEFNAIPORC-ZDUSSCGKSA-N 1 1 336.277 3.997 20 30 EHEDMO CCC1(CC)C[N@H+](Cc2ccccc2C(C)(C)C#N)CC[S@@]1=O ZINC000185281618 1120406732 /nfs/dbraw/zinc/40/67/32/1120406732.db2.gz SWKSZESFCHHYPH-QHCPKHFHSA-N 1 1 332.513 3.611 20 30 EHEDMO CCC1(CC)C[N@@H+](Cc2ccccc2C(C)(C)C#N)CC[S@@]1=O ZINC000185281618 1120406733 /nfs/dbraw/zinc/40/67/33/1120406733.db2.gz SWKSZESFCHHYPH-QHCPKHFHSA-N 1 1 332.513 3.611 20 30 EHEDMO N#Cc1ccnc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000309865376 1128916603 /nfs/dbraw/zinc/91/66/03/1128916603.db2.gz FHCXPXJBKJBGIF-HNNXBMFYSA-N 1 1 326.831 3.541 20 30 EHEDMO C/C(=C\c1ccccc1)C[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000494232637 1120510609 /nfs/dbraw/zinc/51/06/09/1120510609.db2.gz BTJPMDXWNBEJJT-NBVRZTHBSA-N 1 1 339.483 3.707 20 30 EHEDMO C/C(=C\c1ccccc1)C[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000494232637 1120510611 /nfs/dbraw/zinc/51/06/11/1120510611.db2.gz BTJPMDXWNBEJJT-NBVRZTHBSA-N 1 1 339.483 3.707 20 30 EHEDMO C[N@@H+](CCCSCC#N)CCOc1ccc(C(F)(F)F)cc1 ZINC000190368982 1120635650 /nfs/dbraw/zinc/63/56/50/1120635650.db2.gz RMDHZCAXUXVIMD-UHFFFAOYSA-N 1 1 332.391 3.663 20 30 EHEDMO C=CCOc1ccc(C[N@H+](CCCN2CCOC2=O)C(C)(C)C)cc1 ZINC000761919988 1121009285 /nfs/dbraw/zinc/00/92/85/1121009285.db2.gz JMLMQLOOZTUDLJ-UHFFFAOYSA-N 1 1 346.471 3.694 20 30 EHEDMO CC[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000915220015 1121255800 /nfs/dbraw/zinc/25/58/00/1121255800.db2.gz JOUHMNWGAVFGPG-GOSISDBHSA-N 1 1 327.472 3.672 20 30 EHEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cc(Br)ncc1F ZINC000762731819 1121430921 /nfs/dbraw/zinc/43/09/21/1121430921.db2.gz FUYKEOIFCWWODX-SNVBAGLBSA-N 1 1 334.192 3.706 20 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1122241421 /nfs/dbraw/zinc/24/14/21/1122241421.db2.gz UMYXQTPRXFRASV-HOTGVXAUSA-N 1 1 337.508 3.942 20 30 EHEDMO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000497049116 1122254422 /nfs/dbraw/zinc/25/44/22/1122254422.db2.gz XEVYLZHIEFXGIN-CQSZACIVSA-N 1 1 349.500 3.747 20 30 EHEDMO C=CCC[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC000125699860 1122325101 /nfs/dbraw/zinc/32/51/01/1122325101.db2.gz LUQDLLMCSXTOIR-ROUUACIJSA-N 1 1 341.455 3.889 20 30 EHEDMO N#Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311848208 1129047349 /nfs/dbraw/zinc/04/73/49/1129047349.db2.gz OVUOKQQRVZJBDI-HXUWFJFHSA-N 1 1 347.462 3.590 20 30 EHEDMO C=CC[C@H](C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000126506367 1122409775 /nfs/dbraw/zinc/40/97/75/1122409775.db2.gz RBOIETBHCLCTOK-DFQSSKMNSA-N 1 1 341.499 3.647 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCC[N@@H+](CCCCC#N)C2)C1 ZINC000497268683 1122429507 /nfs/dbraw/zinc/42/95/07/1122429507.db2.gz KLBLVTSZILPQEM-DLBZAZTESA-N 1 1 335.492 3.649 20 30 EHEDMO C[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCN1CC(F)(F)F ZINC000128444275 1122597491 /nfs/dbraw/zinc/59/74/91/1122597491.db2.gz IIZRWHKGTOKQMA-AWEZNQCLSA-N 1 1 339.405 3.556 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCN1CC(F)(F)F ZINC000128444275 1122597497 /nfs/dbraw/zinc/59/74/97/1122597497.db2.gz IIZRWHKGTOKQMA-AWEZNQCLSA-N 1 1 339.405 3.556 20 30 EHEDMO CC[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@H]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000497600207 1122605705 /nfs/dbraw/zinc/60/57/05/1122605705.db2.gz VIWNMYYPWFSMFI-MBOZVWFJSA-N 1 1 341.499 3.978 20 30 EHEDMO C=CCN1CC[C@@H]([NH2+][C@H](C)c2cc(F)c(Cl)cc2Cl)C1=O ZINC000499601264 1129066659 /nfs/dbraw/zinc/06/66/59/1129066659.db2.gz UIGCNWJLWDCFQG-YMTOWFKASA-N 1 1 331.218 3.570 20 30 EHEDMO Cc1nc2ccccc2nc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194540183 1122733347 /nfs/dbraw/zinc/73/33/47/1122733347.db2.gz UIVQGKZIAFVHSD-UHFFFAOYSA-N 1 1 328.419 3.975 20 30 EHEDMO C=CCC[C@H](NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000131043616 1123033665 /nfs/dbraw/zinc/03/36/65/1123033665.db2.gz CVAQHFKMNZMARW-HKUYNNGSSA-N 1 1 329.488 3.677 20 30 EHEDMO C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000556629012 1123065601 /nfs/dbraw/zinc/06/56/01/1123065601.db2.gz NLQZDJINRMSGKQ-QFBILLFUSA-N 1 1 330.435 3.974 20 30 EHEDMO Cc1cccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000194967771 1123091365 /nfs/dbraw/zinc/09/13/65/1123091365.db2.gz FKIPDXDVEWOQAK-UHFFFAOYSA-N 1 1 333.435 3.778 20 30 EHEDMO Cc1cccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000194967771 1123091368 /nfs/dbraw/zinc/09/13/68/1123091368.db2.gz FKIPDXDVEWOQAK-UHFFFAOYSA-N 1 1 333.435 3.778 20 30 EHEDMO C=CCN(CCc1ccco1)C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001127509783 1123095989 /nfs/dbraw/zinc/09/59/89/1123095989.db2.gz RRZUDEVOUVMLRH-SFHVURJKSA-N 1 1 346.858 3.793 20 30 EHEDMO CCc1ccc([C@H]2CCCCC[N@H+]2CCC(=O)N(C)CCC#N)o1 ZINC000131674676 1123163142 /nfs/dbraw/zinc/16/31/42/1123163142.db2.gz QAQHKQVBYCNGGL-QGZVFWFLSA-N 1 1 331.460 3.521 20 30 EHEDMO CCCCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929263728 1129111266 /nfs/dbraw/zinc/11/12/66/1129111266.db2.gz ZAAKBRCZASWBNH-UHFFFAOYSA-N 1 1 347.890 3.730 20 30 EHEDMO C#CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCc2ccccc21 ZINC000920407477 1123364490 /nfs/dbraw/zinc/36/44/90/1123364490.db2.gz KIEQKNFVNBNZQY-NRFANRHFSA-N 1 1 343.430 3.510 20 30 EHEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(OCc2cccnc2)cc1 ZINC000133593478 1123406061 /nfs/dbraw/zinc/40/60/61/1123406061.db2.gz GUUHTYCHXPJRAJ-DLBZAZTESA-N 1 1 334.423 3.755 20 30 EHEDMO CC(C)C[N@H+](CCC#N)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000921231061 1123493065 /nfs/dbraw/zinc/49/30/65/1123493065.db2.gz JXMSVFHWBFDYCF-GOSISDBHSA-N 1 1 332.488 3.595 20 30 EHEDMO CC(C)C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000921231061 1123493067 /nfs/dbraw/zinc/49/30/67/1123493067.db2.gz JXMSVFHWBFDYCF-GOSISDBHSA-N 1 1 332.488 3.595 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H]1CN1CCCCC1 ZINC000135182010 1123589448 /nfs/dbraw/zinc/58/94/48/1123589448.db2.gz KZZHOMYUOSUVRO-IBGZPJMESA-N 1 1 325.500 3.938 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H]1CN1CCCCC1 ZINC000135182010 1123589455 /nfs/dbraw/zinc/58/94/55/1123589455.db2.gz KZZHOMYUOSUVRO-IBGZPJMESA-N 1 1 325.500 3.938 20 30 EHEDMO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000609538947 1123606956 /nfs/dbraw/zinc/60/69/56/1123606956.db2.gz PIURTBKGIDOALB-WMLDXEAASA-N 1 1 337.414 3.515 20 30 EHEDMO C[N@@H+](CCCNC(=O)Nc1ccc(CC#N)cc1)C1CCCCC1 ZINC000078248019 1123611124 /nfs/dbraw/zinc/61/11/24/1123611124.db2.gz LEMDHPUNHZLPGD-UHFFFAOYSA-N 1 1 328.460 3.529 20 30 EHEDMO Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000610004242 1123711931 /nfs/dbraw/zinc/71/19/31/1123711931.db2.gz HGXWYHHPCHFVRU-YYWHXJBOSA-N 1 1 341.499 3.823 20 30 EHEDMO C[C@H](C#N)Oc1ccc(CNC[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000237574934 1123778196 /nfs/dbraw/zinc/77/81/96/1123778196.db2.gz NPMIXNFRZZOBME-OXQOHEQNSA-N 1 1 329.488 3.578 20 30 EHEDMO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H]1c1ccccc1 ZINC000245438004 1123825773 /nfs/dbraw/zinc/82/57/73/1123825773.db2.gz RXWLRLDXDQGPAG-DYESRHJHSA-N 1 1 333.435 3.626 20 30 EHEDMO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H]1c1ccccc1 ZINC000245438004 1123825778 /nfs/dbraw/zinc/82/57/78/1123825778.db2.gz RXWLRLDXDQGPAG-DYESRHJHSA-N 1 1 333.435 3.626 20 30 EHEDMO C=CCN(Cc1ccccc1F)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000615672531 1123852825 /nfs/dbraw/zinc/85/28/25/1123852825.db2.gz YDWYZBQKTSEUOS-SJORKVTESA-N 1 1 347.478 3.786 20 30 EHEDMO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000616860526 1124048274 /nfs/dbraw/zinc/04/82/74/1124048274.db2.gz CWDIRWHZZQDKDJ-SFHVURJKSA-N 1 1 340.496 3.511 20 30 EHEDMO Cn1cc([C@@H]2CSCC[N@H+]2Cc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000616860526 1124048279 /nfs/dbraw/zinc/04/82/79/1124048279.db2.gz CWDIRWHZZQDKDJ-SFHVURJKSA-N 1 1 340.496 3.511 20 30 EHEDMO COc1ccc(C[NH2+][C@H](C)c2nc(C)cs2)cc1OCCCC#N ZINC000069168263 1124501279 /nfs/dbraw/zinc/50/12/79/1124501279.db2.gz QIZPOAJDVAOBNF-CQSZACIVSA-N 1 1 345.468 3.994 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc3c(Cl)ccnc23)no1 ZINC001212325317 1124660518 /nfs/dbraw/zinc/66/05/18/1124660518.db2.gz NULOWSLTJZOVCY-AWEZNQCLSA-N 1 1 326.787 3.742 20 30 EHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181287279 1124713569 /nfs/dbraw/zinc/71/35/69/1124713569.db2.gz LRTJBYLZKSNKAJ-LJQANCHMSA-N 1 1 343.434 3.723 20 30 EHEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000249058961 1124733623 /nfs/dbraw/zinc/73/36/23/1124733623.db2.gz HIBLKBQVCWESPA-IRFCIJBXSA-N 1 1 342.483 3.692 20 30 EHEDMO C[C@H]1COCCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000618288442 1125038809 /nfs/dbraw/zinc/03/88/09/1125038809.db2.gz QPZVMQVMSBXZBT-IBGZPJMESA-N 1 1 334.463 3.997 20 30 EHEDMO C=C[C@H](CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000618665660 1125149496 /nfs/dbraw/zinc/14/94/96/1125149496.db2.gz MOUJKOLLMRPJPI-MJGOQNOKSA-N 1 1 326.484 3.870 20 30 EHEDMO CC[C@H](C)[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000387418892 1125155822 /nfs/dbraw/zinc/15/58/22/1125155822.db2.gz UUMRVRMFXQIUAS-FXAWDEMLSA-N 1 1 338.451 3.599 20 30 EHEDMO C=C(C)COc1cc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)ccc1OC ZINC000093639780 1125280346 /nfs/dbraw/zinc/28/03/46/1125280346.db2.gz KNISSAKXGNUHOB-IEBWSBKVSA-N 1 1 346.515 3.812 20 30 EHEDMO C=C(C)COc1cc(CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)ccc1OC ZINC000093639780 1125280350 /nfs/dbraw/zinc/28/03/50/1125280350.db2.gz KNISSAKXGNUHOB-IEBWSBKVSA-N 1 1 346.515 3.812 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+](C)[C@@H]2CCN(CC)C[C@H]2C)ccc1OC ZINC000093639780 1125280354 /nfs/dbraw/zinc/28/03/54/1125280354.db2.gz KNISSAKXGNUHOB-IEBWSBKVSA-N 1 1 346.515 3.812 20 30 EHEDMO C=C(C)COc1cc(C[N@H+](C)[C@@H]2CCN(CC)C[C@H]2C)ccc1OC ZINC000093639780 1125280359 /nfs/dbraw/zinc/28/03/59/1125280359.db2.gz KNISSAKXGNUHOB-IEBWSBKVSA-N 1 1 346.515 3.812 20 30 EHEDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)C1(C)C ZINC000763565790 1125334908 /nfs/dbraw/zinc/33/49/08/1125334908.db2.gz JABRHEYJMGQXNW-CEXWTWQISA-N 1 1 330.472 3.507 20 30 EHEDMO C=CCOc1ccc(C[NH2+][C@H](C)CN2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000619776226 1125402251 /nfs/dbraw/zinc/40/22/51/1125402251.db2.gz KUCQXVLFKBLLIF-KZNAEPCWSA-N 1 1 346.515 3.716 20 30 EHEDMO COc1ccc2c(c1)OCC[N@@H+](Cc1ccccc1C(C)(C)C#N)C2 ZINC000619810384 1125414752 /nfs/dbraw/zinc/41/47/52/1125414752.db2.gz GASHDJDOHZOJPC-UHFFFAOYSA-N 1 1 336.435 3.891 20 30 EHEDMO COc1ccc2c(c1)OCC[N@H+](Cc1ccccc1C(C)(C)C#N)C2 ZINC000619810384 1125414755 /nfs/dbraw/zinc/41/47/55/1125414755.db2.gz GASHDJDOHZOJPC-UHFFFAOYSA-N 1 1 336.435 3.891 20 30 EHEDMO C#CCCOc1ccc(CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183101992 1125444305 /nfs/dbraw/zinc/44/43/05/1125444305.db2.gz YJRSDJFCHDHQJI-ICSRJNTNSA-N 1 1 340.511 3.831 20 30 EHEDMO C#CCCOc1ccc(CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183101992 1125444308 /nfs/dbraw/zinc/44/43/08/1125444308.db2.gz YJRSDJFCHDHQJI-ICSRJNTNSA-N 1 1 340.511 3.831 20 30 EHEDMO Cc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)s1 ZINC000114733869 1129187908 /nfs/dbraw/zinc/18/79/08/1129187908.db2.gz HSYJOXUTKQFODM-WMZOPIPTSA-N 1 1 342.464 3.505 20 30 EHEDMO COCC[N@@H+](C)CCCC1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000499660183 1129270772 /nfs/dbraw/zinc/27/07/72/1129270772.db2.gz JFMUFIMDPHAWRO-UHFFFAOYSA-N 1 1 349.906 3.786 20 30 EHEDMO C[C@](CO)([NH2+]Cc1csc(C#N)c1)c1cc(Cl)cc(Cl)c1 ZINC000922169843 1129277236 /nfs/dbraw/zinc/27/72/36/1129277236.db2.gz VSWGFJWJQRFHAS-OAHLLOKOSA-N 1 1 341.263 3.924 20 30 EHEDMO CC(N=Nc1cc(F)cc(F)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735614143 1131363370 /nfs/dbraw/zinc/36/33/70/1131363370.db2.gz QDEFNNWBAIKFDL-IBGZPJMESA-N 1 1 345.393 3.654 20 30 EHEDMO CC(N=Nc1cc(F)cc(F)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735614143 1131363373 /nfs/dbraw/zinc/36/33/73/1131363373.db2.gz QDEFNNWBAIKFDL-IBGZPJMESA-N 1 1 345.393 3.654 20 30 EHEDMO Cn1ccc(-c2nc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)cs2)n1 ZINC000922191895 1129325650 /nfs/dbraw/zinc/32/56/50/1129325650.db2.gz ZFEIUXYLHOUYCE-QGZVFWFLSA-N 1 1 349.463 3.582 20 30 EHEDMO C=CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466307294 1129375041 /nfs/dbraw/zinc/37/50/41/1129375041.db2.gz NELPAGFNQVYYQG-FQEVSTJZSA-N 1 1 341.499 3.649 20 30 EHEDMO C=CC[C@@H](CC)NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000466379336 1129410220 /nfs/dbraw/zinc/41/02/20/1129410220.db2.gz XUKAYDQIUJHXLS-GOSISDBHSA-N 1 1 349.906 3.912 20 30 EHEDMO C=CC[C@@H](CC)NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000466379336 1129410222 /nfs/dbraw/zinc/41/02/22/1129410222.db2.gz XUKAYDQIUJHXLS-GOSISDBHSA-N 1 1 349.906 3.912 20 30 EHEDMO CC(C)c1[nH+]ccn1CCC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000081301631 1129411486 /nfs/dbraw/zinc/41/14/86/1129411486.db2.gz VASQSYMFTAOKEK-UHFFFAOYSA-N 1 1 338.455 3.705 20 30 EHEDMO COc1ccccc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000069085478 1129422193 /nfs/dbraw/zinc/42/21/93/1129422193.db2.gz MVVCOOROWSWXJA-IBGZPJMESA-N 1 1 349.434 3.733 20 30 EHEDMO Cc1cccc(OC[C@@H](O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000069520502 1129457666 /nfs/dbraw/zinc/45/76/66/1129457666.db2.gz BCYAARWMEIYTNL-FQEVSTJZSA-N 1 1 338.451 3.517 20 30 EHEDMO CC[NH+](CC)CCOc1ccccc1CNCc1ccc(C#N)cc1 ZINC000069708525 1129475807 /nfs/dbraw/zinc/47/58/07/1129475807.db2.gz SCNSCJKLBPDQLK-UHFFFAOYSA-N 1 1 337.467 3.569 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)CCc1ccccc1 ZINC000543437532 1129489508 /nfs/dbraw/zinc/48/95/08/1129489508.db2.gz XTFOIBGBJCLIFS-BDTNDASRSA-N 1 1 334.463 3.752 20 30 EHEDMO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(F)c(C#N)c1 ZINC000274825960 1129533537 /nfs/dbraw/zinc/53/35/37/1129533537.db2.gz KZKRISDZCJAVPQ-HRAATJIYSA-N 1 1 337.442 3.698 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(F)c(C#N)c1 ZINC000274825960 1129533540 /nfs/dbraw/zinc/53/35/40/1129533540.db2.gz KZKRISDZCJAVPQ-HRAATJIYSA-N 1 1 337.442 3.698 20 30 EHEDMO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000274825960 1129533542 /nfs/dbraw/zinc/53/35/42/1129533542.db2.gz KZKRISDZCJAVPQ-HRAATJIYSA-N 1 1 337.442 3.698 20 30 EHEDMO N#Cc1ccc(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)o1 ZINC000093005348 1129572108 /nfs/dbraw/zinc/57/21/08/1129572108.db2.gz XIINQATYJBOABG-UHFFFAOYSA-N 1 1 335.382 3.930 20 30 EHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(F)c2C#N)C1 ZINC000428955969 1129640332 /nfs/dbraw/zinc/64/03/32/1129640332.db2.gz PDXDFRMZBUUVJC-NLCWTHGUSA-N 1 1 330.447 3.849 20 30 EHEDMO N#Cc1cccc(C[NH+]2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)c1 ZINC000125541716 1129701193 /nfs/dbraw/zinc/70/11/93/1129701193.db2.gz GLJAICJBUANKNV-UHFFFAOYSA-N 1 1 334.345 3.680 20 30 EHEDMO C=CCCCCCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C1CCCC1 ZINC001273089310 1129768705 /nfs/dbraw/zinc/76/87/05/1129768705.db2.gz KPRPJCFMIYLHBO-UXHICEINSA-N 1 1 348.531 3.757 20 30 EHEDMO C=CCCCCCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C1CCCC1 ZINC001273089310 1129768707 /nfs/dbraw/zinc/76/87/07/1129768707.db2.gz KPRPJCFMIYLHBO-UXHICEINSA-N 1 1 348.531 3.757 20 30 EHEDMO COc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000131204380 1129775773 /nfs/dbraw/zinc/77/57/73/1129775773.db2.gz ZQPOBQUADSHIPC-UHFFFAOYSA-N 1 1 332.407 3.589 20 30 EHEDMO N#Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2ccccc2n1 ZINC000161916096 1129781385 /nfs/dbraw/zinc/78/13/85/1129781385.db2.gz WJGCBSXTLCZAQV-FOIQADDNSA-N 1 1 332.451 3.560 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1nc(-c2ccncc2)cs1 ZINC000347835687 1129906024 /nfs/dbraw/zinc/90/60/24/1129906024.db2.gz SVRQQLLWTOBUGM-LLVKDONJSA-N 1 1 326.450 3.989 20 30 EHEDMO N#Cc1ccc(F)cc1C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000352802286 1129909891 /nfs/dbraw/zinc/90/98/91/1129909891.db2.gz VTUDRAFGUWWLFO-UHFFFAOYSA-N 1 1 342.439 3.823 20 30 EHEDMO CCCC[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1O ZINC000282472541 1129915306 /nfs/dbraw/zinc/91/53/06/1129915306.db2.gz NXYSEUYYIIOIOF-UHFFFAOYSA-N 1 1 343.452 3.566 20 30 EHEDMO Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058452479 1129944384 /nfs/dbraw/zinc/94/43/84/1129944384.db2.gz PDAYKCQREGHIQF-IBGZPJMESA-N 1 1 348.450 3.653 20 30 EHEDMO COc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)c(SC)cc1OC ZINC000172587123 1130146051 /nfs/dbraw/zinc/14/60/51/1130146051.db2.gz CNPNQBRPFXAXRK-UHFFFAOYSA-N 1 1 342.464 3.929 20 30 EHEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000245450251 1130209324 /nfs/dbraw/zinc/20/93/24/1130209324.db2.gz OKXKOAZYEOXNNM-PBFPGSCMSA-N 1 1 331.847 3.803 20 30 EHEDMO COc1cccc(Oc2ncccc2C[NH2+]Cc2ccc(C#N)o2)c1 ZINC000174425325 1130357975 /nfs/dbraw/zinc/35/79/75/1130357975.db2.gz FNWSMWLINLIZST-UHFFFAOYSA-N 1 1 335.363 3.637 20 30 EHEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000730283831 1130693702 /nfs/dbraw/zinc/69/37/02/1130693702.db2.gz VRCAWKNBJXAJSC-QFIPXVFZSA-N 1 1 346.474 3.643 20 30 EHEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000730283831 1130693705 /nfs/dbraw/zinc/69/37/05/1130693705.db2.gz VRCAWKNBJXAJSC-QFIPXVFZSA-N 1 1 346.474 3.643 20 30 EHEDMO C#CCOc1ccccc1C[NH2+]Cc1cccc(OC)c1OC(F)F ZINC000732820239 1130959705 /nfs/dbraw/zinc/95/97/05/1130959705.db2.gz FVAGECQQKRHZAA-UHFFFAOYSA-N 1 1 347.361 3.598 20 30 EHEDMO C#CCCOc1ccc(CN[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000733325336 1131026305 /nfs/dbraw/zinc/02/63/05/1131026305.db2.gz JBTRLAVZTMVOQG-OTWHNJEPSA-N 1 1 328.500 3.545 20 30 EHEDMO C#CCCOc1ccc(C[NH2+][C@@H](C)CN2C[C@H](C)C[C@H](C)C2)cc1 ZINC000733325336 1131026309 /nfs/dbraw/zinc/02/63/09/1131026309.db2.gz JBTRLAVZTMVOQG-OTWHNJEPSA-N 1 1 328.500 3.545 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347957831 1131105006 /nfs/dbraw/zinc/10/50/06/1131105006.db2.gz MRRDFLPBGGTIKK-INIZCTEOSA-N 1 1 331.419 3.675 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347957831 1131105009 /nfs/dbraw/zinc/10/50/09/1131105009.db2.gz MRRDFLPBGGTIKK-INIZCTEOSA-N 1 1 331.419 3.675 20 30 EHEDMO C#CCOc1ccccc1C[NH2+]Cc1cccc(OC)c1OC(C)C ZINC000734159675 1131204767 /nfs/dbraw/zinc/20/47/67/1131204767.db2.gz VLGZYSYZWJKQDB-UHFFFAOYSA-N 1 1 339.435 3.784 20 30 EHEDMO CCS[C@H]1CCCC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000738222747 1131463882 /nfs/dbraw/zinc/46/38/82/1131463882.db2.gz SWJIHUBJFMGTSY-SFHVURJKSA-N 1 1 340.496 3.987 20 30 EHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000739915480 1131516746 /nfs/dbraw/zinc/51/67/46/1131516746.db2.gz PLUPBVLTYLGSOJ-PZJWPPBQSA-N 1 1 348.446 3.727 20 30 EHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000739915480 1131516751 /nfs/dbraw/zinc/51/67/51/1131516751.db2.gz PLUPBVLTYLGSOJ-PZJWPPBQSA-N 1 1 348.446 3.727 20 30 EHEDMO C[C@H]1CC(=NNC(=S)Nc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000741459071 1131604886 /nfs/dbraw/zinc/60/48/86/1131604886.db2.gz YJVNYIKAWKHIAX-VIFPVBQESA-N 1 1 345.299 3.750 20 30 EHEDMO C[N@H+]1CCC[C@H](C/N=C/c2cccc(O)c2O)[C@H]1c1cccs1 ZINC000741465344 1131605974 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C=CCOC1CCC([N@H+]2CCC[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001173321927 1132045117 /nfs/dbraw/zinc/04/51/17/1132045117.db2.gz SBOXMSMQBRQOHN-MHJFOBGBSA-N 1 1 343.467 3.708 20 30 EHEDMO CN(C)Cc1ccc(CSCC[NH2+]C2CCC(CC#N)CC2)o1 ZINC001173324372 1132047002 /nfs/dbraw/zinc/04/70/02/1132047002.db2.gz NBMMIXJEIFGECN-UHFFFAOYSA-N 1 1 335.517 3.636 20 30 EHEDMO C=CCOC1CCC([N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001173323281 1132047285 /nfs/dbraw/zinc/04/72/85/1132047285.db2.gz BXOMYJZUGHLOAK-ZGJBTBESSA-N 1 1 340.511 3.707 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2C2CCC(CC#N)CC2)C1 ZINC001173332309 1132050593 /nfs/dbraw/zinc/05/05/93/1132050593.db2.gz ZDKNWFHTSNUPBU-LBXVMSDZSA-N 1 1 347.503 3.934 20 30 EHEDMO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](C3CCC(CC#N)CC3)C[C@@H]21 ZINC001173340786 1132054547 /nfs/dbraw/zinc/05/45/47/1132054547.db2.gz LQTGCACEHLDWCU-YVZBVZGPSA-N 1 1 347.503 3.694 20 30 EHEDMO C=CCOC1CCC([N@H+]2CC[C@@H](Oc3ccccc3OC)C2)CC1 ZINC001173319955 1132060949 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1132401771 /nfs/dbraw/zinc/40/17/71/1132401771.db2.gz LDQXKYXDEYGPDV-UHFFFAOYSA-N 1 1 338.480 3.951 20 30 EHEDMO Fc1cccc(O[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)c1 ZINC001175427366 1132665466 /nfs/dbraw/zinc/66/54/66/1132665466.db2.gz PCHULFHABSPWHW-SFHVURJKSA-N 1 1 329.802 3.984 20 30 EHEDMO Fc1cccc(O[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)c1 ZINC001175427366 1132665471 /nfs/dbraw/zinc/66/54/71/1132665471.db2.gz PCHULFHABSPWHW-SFHVURJKSA-N 1 1 329.802 3.984 20 30 EHEDMO Cc1ccc([C@H]2CCCC[N@@H+]2Cn2cc3c(c(C#N)c2=O)CCC3)cc1 ZINC000766637843 1132708695 /nfs/dbraw/zinc/70/86/95/1132708695.db2.gz RWVAKEUFABQJCL-OAQYLSRUSA-N 1 1 347.462 3.702 20 30 EHEDMO Cc1ccc([C@H]2CCCC[N@H+]2Cn2cc3c(c(C#N)c2=O)CCC3)cc1 ZINC000766637843 1132708698 /nfs/dbraw/zinc/70/86/98/1132708698.db2.gz RWVAKEUFABQJCL-OAQYLSRUSA-N 1 1 347.462 3.702 20 30 EHEDMO CN1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(-c2ccccc2C#N)cc1 ZINC001175882230 1132780582 /nfs/dbraw/zinc/78/05/82/1132780582.db2.gz FHNRWGAIKUQCTO-VXKWHMMOSA-N 1 1 331.463 3.894 20 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/nfs/dbraw/zinc/07/91/44/1133079144.db2.gz FKTFZJUXQLFVEB-UHFFFAOYSA-N 1 1 341.418 3.564 20 30 EHEDMO N#Cc1ccc(C2=CC[N@@H+](Cn3cnc(-c4ccccc4)n3)CC2)cc1 ZINC000767986224 1133079148 /nfs/dbraw/zinc/07/91/48/1133079148.db2.gz FKTFZJUXQLFVEB-UHFFFAOYSA-N 1 1 341.418 3.564 20 30 EHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)cc1F ZINC000768198631 1133112308 /nfs/dbraw/zinc/11/23/08/1133112308.db2.gz BSRFZZBIKHHXAG-AWEZNQCLSA-N 1 1 328.387 3.757 20 30 EHEDMO N#Cc1ccccc1OC1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC001204213011 1133140238 /nfs/dbraw/zinc/14/02/38/1133140238.db2.gz WXSFDMIDIOLZOR-UHFFFAOYSA-N 1 1 328.362 3.880 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2cccnc2Br)cc1Cl ZINC001178562013 1133181207 /nfs/dbraw/zinc/18/12/07/1133181207.db2.gz ZNYRFLKBABPCET-UHFFFAOYSA-N 1 1 336.620 3.659 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(OCCC)c2)c1 ZINC000768916211 1133203251 /nfs/dbraw/zinc/20/32/51/1133203251.db2.gz VUWAREAKFFDNGA-UHFFFAOYSA-N 1 1 336.435 3.527 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(OCCC)c2)c1 ZINC000768916211 1133203256 /nfs/dbraw/zinc/20/32/56/1133203256.db2.gz VUWAREAKFFDNGA-UHFFFAOYSA-N 1 1 336.435 3.527 20 30 EHEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc(Br)cc1O ZINC001180031299 1133319787 /nfs/dbraw/zinc/31/97/87/1133319787.db2.gz XYMARAUXVAVQPU-UHFFFAOYSA-N 1 1 325.250 3.916 20 30 EHEDMO N#CC1(CC(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)CCCCC1 ZINC001181382025 1133482230 /nfs/dbraw/zinc/48/22/30/1133482230.db2.gz XLOSVAOPEWQWCO-SFHVURJKSA-N 1 1 331.504 3.621 20 30 EHEDMO C#CC[NH+]1CCC(c2nc(CCCc3ccccc3Cl)no2)CC1 ZINC000770874553 1133482486 /nfs/dbraw/zinc/48/24/86/1133482486.db2.gz KPIHHXHTKAAUGG-UHFFFAOYSA-N 1 1 343.858 3.711 20 30 EHEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2COC(=O)NC2CCCCC2)cs1 ZINC001181603071 1133503930 /nfs/dbraw/zinc/50/39/30/1133503930.db2.gz XLPXWCXNBWMUKV-INIZCTEOSA-N 1 1 347.484 3.643 20 30 EHEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2COC(=O)NC2CCCCC2)cs1 ZINC001181603071 1133503935 /nfs/dbraw/zinc/50/39/35/1133503935.db2.gz XLPXWCXNBWMUKV-INIZCTEOSA-N 1 1 347.484 3.643 20 30 EHEDMO C#CC[N@@H+](Cc1ccccc1)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001181637731 1133504641 /nfs/dbraw/zinc/50/46/41/1133504641.db2.gz MPQXGJSECXHLAP-NRFANRHFSA-N 1 1 342.483 3.769 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)C1(c2cccc(Cl)c2)CCC1 ZINC001182255949 1133603673 /nfs/dbraw/zinc/60/36/73/1133603673.db2.gz HUUVWRQUHCZMRW-KRWDZBQOSA-N 1 1 332.875 3.528 20 30 EHEDMO C[N@H+](Cc1ccccc1)[C@H](C(=O)N1CCCC[C@@H]1C#N)c1ccccc1 ZINC001182239207 1133606051 /nfs/dbraw/zinc/60/60/51/1133606051.db2.gz CEKYAJCWFYRQFI-RTWAWAEBSA-N 1 1 347.462 3.764 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@H](C(=O)N1CCCC[C@@H]1C#N)c1ccccc1 ZINC001182239207 1133606055 /nfs/dbraw/zinc/60/60/55/1133606055.db2.gz CEKYAJCWFYRQFI-RTWAWAEBSA-N 1 1 347.462 3.764 20 30 EHEDMO COc1cc(C[N@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]2C)ccc1C#N ZINC001182452429 1133672297 /nfs/dbraw/zinc/67/22/97/1133672297.db2.gz MPBXJOMHBZDVDE-YOEHRIQHSA-N 1 1 344.455 3.509 20 30 EHEDMO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC000786961503 1133926243 /nfs/dbraw/zinc/92/62/43/1133926243.db2.gz OEYSZYGYAZJHKG-LEWJYISDSA-N 1 1 345.446 3.907 20 30 EHEDMO N#Cc1cnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2sccc21 ZINC001184501238 1133952899 /nfs/dbraw/zinc/95/28/99/1133952899.db2.gz XQEBJOFVZJBEFC-MRXNPFEDSA-N 1 1 334.448 3.854 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000746675055 1133992083 /nfs/dbraw/zinc/99/20/83/1133992083.db2.gz AYWUUJLECNCSSZ-NDXORKPFSA-N 1 1 348.446 3.725 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000746675055 1133992088 /nfs/dbraw/zinc/99/20/88/1133992088.db2.gz AYWUUJLECNCSSZ-NDXORKPFSA-N 1 1 348.446 3.725 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)[C@H](C)CCSc2ccccc2)n1 ZINC000789328859 1134258212 /nfs/dbraw/zinc/25/82/12/1134258212.db2.gz AFNWZJFYUWEFMR-QGZVFWFLSA-N 1 1 327.497 3.909 20 30 EHEDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1O ZINC000775154548 1134403210 /nfs/dbraw/zinc/40/32/10/1134403210.db2.gz GGRGRUFXZKZHQJ-LLVKDONJSA-N 1 1 328.799 3.971 20 30 EHEDMO CC(C)(C#N)CCC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000791641890 1134583385 /nfs/dbraw/zinc/58/33/85/1134583385.db2.gz NMMCBCMIOVGXHD-SFHVURJKSA-N 1 1 328.456 3.914 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000791641890 1134583392 /nfs/dbraw/zinc/58/33/92/1134583392.db2.gz NMMCBCMIOVGXHD-SFHVURJKSA-N 1 1 328.456 3.914 20 30 EHEDMO CCN(CC#Cc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792231940 1134669776 /nfs/dbraw/zinc/66/97/76/1134669776.db2.gz JYGZREVLJMITHQ-QHCPKHFHSA-N 1 1 332.491 3.882 20 30 EHEDMO CC[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000792265269 1134675502 /nfs/dbraw/zinc/67/55/02/1134675502.db2.gz MPIGTEDRIMJYKY-MOPGFXCFSA-N 1 1 342.483 3.663 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@](O)(c1ccccc1)C(C)C ZINC001170195566 1134711344 /nfs/dbraw/zinc/71/13/44/1134711344.db2.gz UOQIJXRLWVOMMZ-NRFANRHFSA-N 1 1 343.467 3.694 20 30 EHEDMO COC(=O)[C@@H]1CCCC[C@@H]1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC001192489609 1135028729 /nfs/dbraw/zinc/02/87/29/1135028729.db2.gz GYYUTOASOAEZIH-IEBWSBKVSA-N 1 1 326.440 3.502 20 30 EHEDMO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cc(Cl)ccc1F ZINC001192575176 1135033639 /nfs/dbraw/zinc/03/36/39/1135033639.db2.gz QIZGUDDDCVLPSF-LLVKDONJSA-N 1 1 331.778 3.640 20 30 EHEDMO CCCCCCC[C@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC001192949509 1135074993 /nfs/dbraw/zinc/07/49/93/1135074993.db2.gz DYIRWOVIAQAJQI-HKUYNNGSSA-N 1 1 346.519 3.704 20 30 EHEDMO CCCCCCC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC001192949509 1135074998 /nfs/dbraw/zinc/07/49/98/1135074998.db2.gz DYIRWOVIAQAJQI-HKUYNNGSSA-N 1 1 346.519 3.704 20 30 EHEDMO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001193103549 1135101574 /nfs/dbraw/zinc/10/15/74/1135101574.db2.gz JENIZUIHNQERNU-HIFRSBDPSA-N 1 1 327.346 3.612 20 30 EHEDMO CCCCCCCOC(=O)N1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001194004952 1135213355 /nfs/dbraw/zinc/21/33/55/1135213355.db2.gz FWHMSLCJVVQDMC-GOSISDBHSA-N 1 1 340.508 3.669 20 30 EHEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2c(C)cc(=O)[nH]c2C)C1 ZINC001194165240 1135235710 /nfs/dbraw/zinc/23/57/10/1135235710.db2.gz YCLQHCJJLKKQDM-QGZVFWFLSA-N 1 1 347.503 3.521 20 30 EHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@@H]1CC(C)(C)OC1(C)C ZINC001194792811 1135316603 /nfs/dbraw/zinc/31/66/03/1135316603.db2.gz XTTRPUOJVWXVMY-SFHVURJKSA-N 1 1 330.472 3.600 20 30 EHEDMO CC[C@@H]1CC([N@H+]2CC[C@H](C#N)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170491331 1135340753 /nfs/dbraw/zinc/34/07/53/1135340753.db2.gz IXUODYVAHWBYBV-BZUAXINKSA-N 1 1 335.492 3.789 20 30 EHEDMO N#Cc1cccc(NC(=O)C[NH2+]C2(c3ccccc3Cl)CCC2)c1 ZINC001195739103 1135465130 /nfs/dbraw/zinc/46/51/30/1135465130.db2.gz SZZICRMTMSRLFS-UHFFFAOYSA-N 1 1 339.826 3.819 20 30 EHEDMO CC(C)(C)OC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001195796460 1135471716 /nfs/dbraw/zinc/47/17/16/1135471716.db2.gz FWWDCGFQDAXZJA-MRXNPFEDSA-N 1 1 332.419 3.784 20 30 EHEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC001195946594 1135498720 /nfs/dbraw/zinc/49/87/20/1135498720.db2.gz KXUXKRYPSHHUJY-ZIAGYGMSSA-N 1 1 331.847 3.827 20 30 EHEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC001195947127 1135498775 /nfs/dbraw/zinc/49/87/75/1135498775.db2.gz QOTPSBKFZDXCMI-QZTJIDSGSA-N 1 1 341.499 3.902 20 30 EHEDMO C=CC[N@@H+](C[C@H](O)c1ccc(F)c(Br)c1)C(C)(C)C ZINC001196198240 1135529606 /nfs/dbraw/zinc/52/96/06/1135529606.db2.gz HFWXUBBGWGZFCU-AWEZNQCLSA-N 1 1 330.241 3.908 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@@H]2CC2(C)C)c1 ZINC001196460039 1135570380 /nfs/dbraw/zinc/57/03/80/1135570380.db2.gz WHFLBDHYGNIWBK-ROUUACIJSA-N 1 1 341.499 3.917 20 30 EHEDMO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)c1=S ZINC000747468724 1135637167 /nfs/dbraw/zinc/63/71/67/1135637167.db2.gz VFGKGIGAIKYUSQ-YJBOKZPZSA-N 1 1 342.512 3.819 20 30 EHEDMO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)c1=S ZINC000747468724 1135637171 /nfs/dbraw/zinc/63/71/71/1135637171.db2.gz VFGKGIGAIKYUSQ-YJBOKZPZSA-N 1 1 342.512 3.819 20 30 EHEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCCSC[C@@H]2c2ccccc2)c1 ZINC001197368398 1135686263 /nfs/dbraw/zinc/68/62/63/1135686263.db2.gz HJBBTEJVFGVUGU-UXHICEINSA-N 1 1 338.476 3.772 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2C2CCC2)cc1C ZINC000747528863 1135739399 /nfs/dbraw/zinc/73/93/99/1135739399.db2.gz AEJOPPKREYWKER-FQEVSTJZSA-N 1 1 339.483 3.815 20 30 EHEDMO C=CCCCCC[N@H+]1CCCN(Cc2ccccc2)CCOCC1 ZINC001198141019 1135775533 /nfs/dbraw/zinc/77/55/33/1135775533.db2.gz SWFIJNKBPOZZCU-UHFFFAOYSA-N 1 1 330.516 3.957 20 30 EHEDMO C#CC[N@@H+](C[C@@H]1CC2(CO1)CCOCC2)[C@H]1CCCc2ccccc21 ZINC001198105301 1135776636 /nfs/dbraw/zinc/77/66/36/1135776636.db2.gz WSPATRHWPANYNN-FPOVZHCZSA-N 1 1 339.479 3.585 20 30 EHEDMO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(N(C)C)cc1 ZINC000775831116 1135784832 /nfs/dbraw/zinc/78/48/32/1135784832.db2.gz PSOOTARFEZRYKL-AWEZNQCLSA-N 1 1 347.422 3.525 20 30 EHEDMO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(N(C)C)cc1 ZINC000775831697 1135789226 /nfs/dbraw/zinc/78/92/26/1135789226.db2.gz TYLVCEFYOLPCMH-CQSZACIVSA-N 1 1 347.422 3.525 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)CCOc2ccccc2F)cc1 ZINC000121517339 1135819221 /nfs/dbraw/zinc/81/92/21/1135819221.db2.gz RAEUNILRPMVQRA-OAHLLOKOSA-N 1 1 328.387 3.627 20 30 EHEDMO CN(C)c1ccc(C#N)cc1CNC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001198968855 1135870237 /nfs/dbraw/zinc/87/02/37/1135870237.db2.gz JOUQELCCKOWETO-QFIPXVFZSA-N 1 1 348.494 3.551 20 30 EHEDMO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1[C@@H](CC)CCCCCC ZINC001170592915 1135908964 /nfs/dbraw/zinc/90/89/64/1135908964.db2.gz OBETZWVFBHRWQD-WMZOPIPTSA-N 1 1 334.508 3.666 20 30 EHEDMO C[C@H]1CCC[C@](CNCc2ccc(C3(C#N)CC3)cc2)([NH+](C)C)C1 ZINC001199639941 1135916939 /nfs/dbraw/zinc/91/69/39/1135916939.db2.gz OJUJDIWNSFPOOT-UWJYYQICSA-N 1 1 325.500 3.842 20 30 EHEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000810169051 1135929505 /nfs/dbraw/zinc/92/95/05/1135929505.db2.gz JFBFSKQHYANDNO-UHFFFAOYSA-N 1 1 340.810 3.522 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810165203 1135929556 /nfs/dbraw/zinc/92/95/56/1135929556.db2.gz ZLOBAMYTSVNWPU-FZKQIMNGSA-N 1 1 349.500 3.602 20 30 EHEDMO CCCCn1nc(C)c(C[NH2+]Cc2ccc(C#N)c(OC)c2)c1Cl ZINC000810168800 1135929699 /nfs/dbraw/zinc/92/96/99/1135929699.db2.gz DZWOFSQBEASAPY-UHFFFAOYSA-N 1 1 346.862 3.815 20 30 EHEDMO C#Cc1ccccc1CC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000810487081 1135967708 /nfs/dbraw/zinc/96/77/08/1135967708.db2.gz UHXPIIIKKSRSNZ-INIZCTEOSA-N 1 1 343.430 3.582 20 30 EHEDMO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000747626970 1136000937 /nfs/dbraw/zinc/00/09/37/1136000937.db2.gz SLFKDKHGJWBSSP-KRWDZBQOSA-N 1 1 348.874 3.633 20 30 EHEDMO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000747626970 1136000941 /nfs/dbraw/zinc/00/09/41/1136000941.db2.gz SLFKDKHGJWBSSP-KRWDZBQOSA-N 1 1 348.874 3.633 20 30 EHEDMO C=CCOC(=O)N1CCC2(CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC001201589992 1136043864 /nfs/dbraw/zinc/04/38/64/1136043864.db2.gz GBZMVELTIVRHIU-UHFFFAOYSA-N 1 1 342.483 3.730 20 30 EHEDMO CN1CCN(c2cc(Nc3cccc4c(C#N)cccc34)cc[nH+]2)CC1 ZINC001201667663 1136049380 /nfs/dbraw/zinc/04/93/80/1136049380.db2.gz YMFCLCOYBCERFF-UHFFFAOYSA-N 1 1 343.434 3.602 20 30 EHEDMO CCCCCCCC[N@H+]1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001201814975 1136064715 /nfs/dbraw/zinc/06/47/15/1136064715.db2.gz VANQYLCSLGBWSG-RTBURBONSA-N 1 1 329.488 3.617 20 30 EHEDMO CCCCCCCC[N@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001201813566 1136064774 /nfs/dbraw/zinc/06/47/74/1136064774.db2.gz GJAQPNOPFIVXOJ-QUCCMNQESA-N 1 1 332.488 3.769 20 30 EHEDMO CCCCCCC[N@H+]1CCC[C@]2(C[C@@H](N(C)c3ncccn3)CO2)C1 ZINC001201776775 1136065379 /nfs/dbraw/zinc/06/53/79/1136065379.db2.gz KUWARUFXMUHUNV-QUCCMNQESA-N 1 1 346.519 3.507 20 30 EHEDMO CCCCCCCC[N@H+]1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001201826096 1136067932 /nfs/dbraw/zinc/06/79/32/1136067932.db2.gz NBYSGZSZFOECOG-CTNGQTDRSA-N 1 1 343.515 3.770 20 30 EHEDMO CCCCCCCCCCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001201836746 1136068758 /nfs/dbraw/zinc/06/87/58/1136068758.db2.gz NYKPOEKVIRHVSW-MSOLQXFVSA-N 1 1 344.565 3.625 20 30 EHEDMO CCCCCCCCC[N@@H+]1CCn2cc(Cn3cccn3)nc2C1 ZINC001201838968 1136069314 /nfs/dbraw/zinc/06/93/14/1136069314.db2.gz GVFMTTKJPDBAEP-UHFFFAOYSA-N 1 1 329.492 3.694 20 30 EHEDMO CCCCCCCCC[N@H+]1CCn2cc(Cn3cccn3)nc2C1 ZINC001201838968 1136069315 /nfs/dbraw/zinc/06/93/15/1136069315.db2.gz GVFMTTKJPDBAEP-UHFFFAOYSA-N 1 1 329.492 3.694 20 30 EHEDMO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1CCCCCCCCC ZINC001201839600 1136069788 /nfs/dbraw/zinc/06/97/88/1136069788.db2.gz NPNFPUFREPGJRE-GOSISDBHSA-N 1 1 334.508 3.668 20 30 EHEDMO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1CCCCCCCCC ZINC001201839600 1136069790 /nfs/dbraw/zinc/06/97/90/1136069790.db2.gz NPNFPUFREPGJRE-GOSISDBHSA-N 1 1 334.508 3.668 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1cc2c(c(OC)c1)OCO2)c1ccc(Cl)cc1 ZINC000811516952 1136097311 /nfs/dbraw/zinc/09/73/11/1136097311.db2.gz ZWTYBKLMKKSJGB-OAHLLOKOSA-N 1 1 329.783 3.541 20 30 EHEDMO CSC1(C/N=C\c2cc(Cl)cc(Cl)c2O)CC[NH+](C)CC1 ZINC000811625504 1136110691 /nfs/dbraw/zinc/11/06/91/1136110691.db2.gz OLOMEZVGARYBCH-NVMNQCDNSA-N 1 1 347.311 3.945 20 30 EHEDMO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=NNC[C@H]2CCSC2)C3)cc1 ZINC000811659169 1136114565 /nfs/dbraw/zinc/11/45/65/1136114565.db2.gz SPHJXUINIZAIEV-QRQLOZEOSA-N 1 1 329.513 3.512 20 30 EHEDMO CC(C)c1nc(C#N)c(N=NC2CC[N@@H+](Cc3ccccc3)[C@@H]2C)o1 ZINC000811639861 1136115475 /nfs/dbraw/zinc/11/54/75/1136115475.db2.gz ITUZJKPNZZFNLL-CQSZACIVSA-N 1 1 337.427 3.732 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O ZINC000811779323 1136134746 /nfs/dbraw/zinc/13/47/46/1136134746.db2.gz OVZLPJFEWCXOOP-IEBWSBKVSA-N 1 1 331.456 3.519 20 30 EHEDMO C=CCc1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(O)c(OC)c1 ZINC000811793176 1136141322 /nfs/dbraw/zinc/14/13/22/1136141322.db2.gz TVNBDEKIKXGYLV-XLIONFOSSA-N 1 1 343.467 3.663 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cn(C)nc2C(F)F)cc1 ZINC000812242988 1136188572 /nfs/dbraw/zinc/18/85/72/1136188572.db2.gz AGEZVDIEBTZTQM-VMPITWQZSA-N 1 1 342.349 3.748 20 30 EHEDMO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001133236786 1136196088 /nfs/dbraw/zinc/19/60/88/1136196088.db2.gz SLBADRYXTSOEJL-NQIIRXRSSA-N 1 1 326.484 3.569 20 30 EHEDMO C=CCCn1cc(CNc2ccc([NH+]3CCC(C)CC3)cc2)nn1 ZINC000850202534 1136219134 /nfs/dbraw/zinc/21/91/34/1136219134.db2.gz ZNLWOXFFLBBVAF-UHFFFAOYSA-N 1 1 325.460 3.703 20 30 EHEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cc1 ZINC000850499017 1136272128 /nfs/dbraw/zinc/27/21/28/1136272128.db2.gz IDHBYPKOBAJYDC-DVOMOZLQSA-N 1 1 332.835 3.766 20 30 EHEDMO CCOc1cccc(/C=N/C[C@H](C)[N@@H+](C)Cc2ccccc2)c1O ZINC000110129373 1136399158 /nfs/dbraw/zinc/39/91/58/1136399158.db2.gz NSUVKHILBVRGNA-YIRPMMGJSA-N 1 1 326.440 3.730 20 30 EHEDMO C#C[C@](C)(CC)[NH2+][C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000852098183 1136433038 /nfs/dbraw/zinc/43/30/38/1136433038.db2.gz HDJPSCPZYLIGTG-HNYWDRBLSA-N 1 1 343.496 3.974 20 30 EHEDMO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000776580756 1136445538 /nfs/dbraw/zinc/44/55/38/1136445538.db2.gz ZUAACSNCAJQSMK-LIRRHRJNSA-N 1 1 339.395 3.583 20 30 EHEDMO COCC[C@H](c1ccccc1)[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852331934 1136450118 /nfs/dbraw/zinc/45/01/18/1136450118.db2.gz NEAWAFZXMCICRC-TZIWHRDSSA-N 1 1 335.451 3.717 20 30 EHEDMO COCC[C@H](c1ccccc1)[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852331934 1136450120 /nfs/dbraw/zinc/45/01/20/1136450120.db2.gz NEAWAFZXMCICRC-TZIWHRDSSA-N 1 1 335.451 3.717 20 30 EHEDMO C=CCCC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852336159 1136450722 /nfs/dbraw/zinc/45/07/22/1136450722.db2.gz XKGFCBAFGHJUNK-MNOVXSKESA-N 1 1 337.099 3.781 20 30 EHEDMO C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000852599169 1136469816 /nfs/dbraw/zinc/46/98/16/1136469816.db2.gz GDKCOOHXPWDNQC-CVEARBPZSA-N 1 1 337.508 3.942 20 30 EHEDMO CSCC(=NNc1cc[nH+]cc1)c1ccc(C(F)(F)F)cc1 ZINC000814899635 1136521796 /nfs/dbraw/zinc/52/17/96/1136521796.db2.gz GHDLDOBSOPRBJD-UHFFFAOYSA-N 1 1 325.359 3.702 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000815031101 1136542300 /nfs/dbraw/zinc/54/23/00/1136542300.db2.gz WVXXNTNONDOPEA-BSDSXHPESA-N 1 1 347.503 3.790 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+](CCC1CC1)CC1CC1 ZINC000853607890 1136548960 /nfs/dbraw/zinc/54/89/60/1136548960.db2.gz XWOVDXFUBJHVRA-UHFFFAOYSA-N 1 1 335.455 3.595 20 30 EHEDMO N#CCCOCC[N@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000815101174 1136556499 /nfs/dbraw/zinc/55/64/99/1136556499.db2.gz PMVBSYYWRNRUQQ-GOSISDBHSA-N 1 1 342.418 3.673 20 30 EHEDMO N#CCCOCC[N@@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000815101174 1136556501 /nfs/dbraw/zinc/55/65/01/1136556501.db2.gz PMVBSYYWRNRUQQ-GOSISDBHSA-N 1 1 342.418 3.673 20 30 EHEDMO C[C@@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1ccc(C#N)c(F)c1 ZINC000776746055 1136622548 /nfs/dbraw/zinc/62/25/48/1136622548.db2.gz JCNCXKMHAUSINR-LLVKDONJSA-N 1 1 326.350 3.574 20 30 EHEDMO C#CC[N@@H+](C)CCCNC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000815651833 1136626807 /nfs/dbraw/zinc/62/68/07/1136626807.db2.gz FUCYLLDBKBNMBK-UHFFFAOYSA-N 1 1 328.406 3.599 20 30 EHEDMO C#CCN(C)CCC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000815651833 1136626808 /nfs/dbraw/zinc/62/68/08/1136626808.db2.gz FUCYLLDBKBNMBK-UHFFFAOYSA-N 1 1 328.406 3.599 20 30 EHEDMO O[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2C(F)(F)F)CC[C@H]1F ZINC001138019683 1136652105 /nfs/dbraw/zinc/65/21/05/1136652105.db2.gz UHRLCPYPKCRHOA-VXGBXAGGSA-N 1 1 345.258 3.629 20 30 EHEDMO O[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2C(F)(F)F)CC[C@H]1F ZINC001138019683 1136652106 /nfs/dbraw/zinc/65/21/06/1136652106.db2.gz UHRLCPYPKCRHOA-VXGBXAGGSA-N 1 1 345.258 3.629 20 30 EHEDMO C[C@@H]1[C@@H](OC(=O)c2ccc(C#N)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000816469301 1136719630 /nfs/dbraw/zinc/71/96/30/1136719630.db2.gz VRRJEXXMNLCQLG-UZLBHIALSA-N 1 1 334.419 3.768 20 30 EHEDMO C[C@H]1[C@H](OC(=O)c2ccc(C#N)s2)CCC[N@H+]1Cc1ccccc1 ZINC000816470723 1136725647 /nfs/dbraw/zinc/72/56/47/1136725647.db2.gz RICLYBCHFOBGTK-WMLDXEAASA-N 1 1 340.448 3.830 20 30 EHEDMO Clc1cnc(N=NC2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)nc1 ZINC000857220371 1136854632 /nfs/dbraw/zinc/85/46/32/1136854632.db2.gz HWNODLGROLLPRP-QGZVFWFLSA-N 1 1 341.846 3.897 20 30 EHEDMO Cc1cc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)cn2cc[nH+]c12 ZINC000818050270 1136860682 /nfs/dbraw/zinc/86/06/82/1136860682.db2.gz GLAROICYTCYRNC-UHFFFAOYSA-N 1 1 343.308 3.652 20 30 EHEDMO C=CCn1c(C)nn(C[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c1=S ZINC000115512859 1136903137 /nfs/dbraw/zinc/90/31/37/1136903137.db2.gz WURZRQDBNINEMH-WMLDXEAASA-N 1 1 328.485 3.744 20 30 EHEDMO C=CCn1c(C)nn(C[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c1=S ZINC000115512859 1136903139 /nfs/dbraw/zinc/90/31/39/1136903139.db2.gz WURZRQDBNINEMH-WMLDXEAASA-N 1 1 328.485 3.744 20 30 EHEDMO C=C[C@H]1C[C@]1(Nc1ccc2[nH+]c(C)n(C(C)C)c2c1)C(=O)OCC ZINC001170924154 1136921646 /nfs/dbraw/zinc/92/16/46/1136921646.db2.gz TYZJZYGFAQNVTG-IFXJQAMLSA-N 1 1 327.428 3.845 20 30 EHEDMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)nc1 ZINC000858034971 1136934662 /nfs/dbraw/zinc/93/46/62/1136934662.db2.gz HGQYGDOUDOSYEO-GOSISDBHSA-N 1 1 335.451 3.845 20 30 EHEDMO COc1ccc2c(c1)C[N@H+](CCOCCC#N)[C@H](C1CCCCC1)C2 ZINC000339015120 1136994162 /nfs/dbraw/zinc/99/41/62/1136994162.db2.gz SDTCUJKDXIEQNX-NRFANRHFSA-N 1 1 342.483 3.932 20 30 EHEDMO C#C[C@@H](NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000820564348 1136997456 /nfs/dbraw/zinc/99/74/56/1136997456.db2.gz AGZCQUHLAKXEMI-QZTJIDSGSA-N 1 1 347.890 3.530 20 30 EHEDMO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CCO[C@H](C)C#N ZINC000859915260 1137037084 /nfs/dbraw/zinc/03/70/84/1137037084.db2.gz PQWLNGCNAYAGGW-CJNGLKHVSA-N 1 1 337.261 3.823 20 30 EHEDMO N#CCc1cccc2c1CC[N@H+](C[C@H](O)c1cccc3ccccc31)C2 ZINC000860108835 1137044697 /nfs/dbraw/zinc/04/46/97/1137044697.db2.gz JZEIJPQTRYBQIV-QHCPKHFHSA-N 1 1 342.442 3.998 20 30 EHEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2cc(F)ccc2C(F)(F)F)no1 ZINC000822722472 1137071730 /nfs/dbraw/zinc/07/17/30/1137071730.db2.gz GHYAHFBRRBTQFF-LLVKDONJSA-N 1 1 328.269 3.588 20 30 EHEDMO CCCCCCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000862356699 1137139831 /nfs/dbraw/zinc/13/98/31/1137139831.db2.gz HEEOFBFCZYZCCQ-UHFFFAOYSA-N 1 1 336.386 3.905 20 30 EHEDMO C#CC[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000862442441 1137145087 /nfs/dbraw/zinc/14/50/87/1137145087.db2.gz CBEMDHGGMAUSTG-SFHVURJKSA-N 1 1 342.446 3.780 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000862542275 1137149116 /nfs/dbraw/zinc/14/91/16/1137149116.db2.gz KRAWPSWJWZWLGL-INIZCTEOSA-N 1 1 331.419 3.602 20 30 EHEDMO C[C@@H]1[C@H](c2ccccc2)c2ccccc2CC[N@H+]1CCOCCC#N ZINC000339044922 1137160839 /nfs/dbraw/zinc/16/08/39/1137160839.db2.gz YWNUBHZEUHJZSA-XMSQKQJNSA-N 1 1 334.463 3.995 20 30 EHEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000825024570 1137162276 /nfs/dbraw/zinc/16/22/76/1137162276.db2.gz RFLFRMOVWKJZPV-MJGOQNOKSA-N 1 1 343.467 3.759 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cncc(Cl)c1)[C@@H]2CC ZINC001136990609 1137166172 /nfs/dbraw/zinc/16/61/72/1137166172.db2.gz BESHXOUHJZANMI-MJGOQNOKSA-N 1 1 347.890 3.657 20 30 EHEDMO Cc1ccccc1[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)CC[NH2+]1 ZINC000825163358 1137168521 /nfs/dbraw/zinc/16/85/21/1137168521.db2.gz WYSLCFCBHDCXCN-FPOVZHCZSA-N 1 1 347.462 3.556 20 30 EHEDMO C=CCC1(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CCCC1 ZINC000825293848 1137171734 /nfs/dbraw/zinc/17/17/34/1137171734.db2.gz CANYXRBDNPKRLB-UHFFFAOYSA-N 1 1 341.499 3.904 20 30 EHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1c(F)cccc1F ZINC000119635974 1137202424 /nfs/dbraw/zinc/20/24/24/1137202424.db2.gz CLUMLGJMJCBILQ-QGZVFWFLSA-N 1 1 348.349 3.595 20 30 EHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1c(F)cccc1F ZINC000119635974 1137202425 /nfs/dbraw/zinc/20/24/25/1137202425.db2.gz CLUMLGJMJCBILQ-QGZVFWFLSA-N 1 1 348.349 3.595 20 30 EHEDMO CC(C)O[C@H](C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000844372148 1137213230 /nfs/dbraw/zinc/21/32/30/1137213230.db2.gz VNYDACBMYSWJBE-LEWJYISDSA-N 1 1 338.451 3.690 20 30 EHEDMO C[N@@H+](CCSc1ccc(Cl)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC000844365796 1137215602 /nfs/dbraw/zinc/21/56/02/1137215602.db2.gz FBXSUCGCQLDSNL-SFHVURJKSA-N 1 1 346.883 3.969 20 30 EHEDMO C=C[C@@H](C)ONC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000844508764 1137227723 /nfs/dbraw/zinc/22/77/23/1137227723.db2.gz JXIZBBVMDRLDNN-CQSZACIVSA-N 1 1 328.416 3.682 20 30 EHEDMO C=CC[C@H](C)C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001144018581 1137229214 /nfs/dbraw/zinc/22/92/14/1137229214.db2.gz SDJLPDWKXVLMNN-LFAQGZIKSA-N 1 1 328.500 3.620 20 30 EHEDMO O=c1[nH]c2ccccc2cc1C=NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794833676 1137271768 /nfs/dbraw/zinc/27/17/68/1137271768.db2.gz OULZHXOWXLSZEQ-TTXZLZEXSA-N 1 1 345.446 3.881 20 30 EHEDMO CCOc1cccc(/C=N\C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000794835399 1137275837 /nfs/dbraw/zinc/27/58/37/1137275837.db2.gz WZVGMAXHZMHIHK-GFHXCNCHSA-N 1 1 338.451 3.732 20 30 EHEDMO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1c(F)cccc1OC(F)F ZINC000865480293 1137287614 /nfs/dbraw/zinc/28/76/14/1137287614.db2.gz ZAWJVCDYPQXBCU-UHFFFAOYSA-N 1 1 349.356 3.655 20 30 EHEDMO Cc1c(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cc(F)cc1[N+](=O)[O-] ZINC001171184255 1137293754 /nfs/dbraw/zinc/29/37/54/1137293754.db2.gz HCPXHGRVIBFLBS-UHFFFAOYSA-N 1 1 339.326 3.938 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H]2C)cc1 ZINC001144568485 1137311371 /nfs/dbraw/zinc/31/13/71/1137311371.db2.gz WVHBILKUNQFACS-APWZRJJASA-N 1 1 342.483 3.793 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)cc1 ZINC001144567982 1137311402 /nfs/dbraw/zinc/31/14/02/1137311402.db2.gz HCTZENKUSLSAJV-HXUWFJFHSA-N 1 1 328.456 3.547 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)cc1 ZINC001144568306 1137311414 /nfs/dbraw/zinc/31/14/14/1137311414.db2.gz PUYDDJFOAOZFKA-WIYYLYMNSA-N 1 1 340.467 3.547 20 30 EHEDMO C#Cc1ccc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC001144573439 1137311601 /nfs/dbraw/zinc/31/16/01/1137311601.db2.gz JYZOMBMQDDAETB-UHFFFAOYSA-N 1 1 333.460 3.600 20 30 EHEDMO C#Cc1ccc(CN2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001144576201 1137311783 /nfs/dbraw/zinc/31/17/83/1137311783.db2.gz FWYGSPDUVBCSBT-UHFFFAOYSA-N 1 1 330.475 3.691 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001171202214 1137318632 /nfs/dbraw/zinc/31/86/32/1137318632.db2.gz AADVQPPOMYRPBB-JJRVBVJISA-N 1 1 340.389 3.515 20 30 EHEDMO CC(C)COc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1 ZINC000846008172 1137325320 /nfs/dbraw/zinc/32/53/20/1137325320.db2.gz SGZZQBZTAGSMCV-OAQYLSRUSA-N 1 1 338.451 3.758 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001171222118 1137348218 /nfs/dbraw/zinc/34/82/18/1137348218.db2.gz DXXHDZMWJNPPRZ-OFAXGOBFSA-N 1 1 345.490 3.553 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001171222118 1137348220 /nfs/dbraw/zinc/34/82/20/1137348220.db2.gz DXXHDZMWJNPPRZ-OFAXGOBFSA-N 1 1 345.490 3.553 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001171224963 1137350513 /nfs/dbraw/zinc/35/05/13/1137350513.db2.gz WCYKMFGPJHFUMI-HTAPYJJXSA-N 1 1 345.446 3.904 20 30 EHEDMO C[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1cccc(C#N)c1O ZINC000866389838 1137351144 /nfs/dbraw/zinc/35/11/44/1137351144.db2.gz WQHJSLZYNXSTIW-LBPRGKRZSA-N 1 1 326.371 3.795 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001171229104 1137354147 /nfs/dbraw/zinc/35/41/47/1137354147.db2.gz KRJNIMPUWGWUSG-BDJLRTHQSA-N 1 1 334.345 3.846 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001171229104 1137354149 /nfs/dbraw/zinc/35/41/49/1137354149.db2.gz KRJNIMPUWGWUSG-BDJLRTHQSA-N 1 1 334.345 3.846 20 30 EHEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](C2CCCC2)C1 ZINC001171332186 1137426165 /nfs/dbraw/zinc/42/61/65/1137426165.db2.gz NCSYBRBZINVYHS-HNNXBMFYSA-N 1 1 331.847 3.662 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCCC2(CCC2)C1 ZINC000348167143 1137449799 /nfs/dbraw/zinc/44/97/99/1137449799.db2.gz ISMZMSOLKRFZKV-MRXNPFEDSA-N 1 1 332.513 3.917 20 30 EHEDMO C=CCOC(=O)[C@@H]([NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)[C@@H](C)CC ZINC001171452475 1137489684 /nfs/dbraw/zinc/48/96/84/1137489684.db2.gz HCBWTKLRZIKDOA-PNPHSEOMSA-N 1 1 337.410 3.556 20 30 EHEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC001171573607 1137498998 /nfs/dbraw/zinc/49/89/98/1137498998.db2.gz RZQJIBGUSCDOJL-QGZVFWFLSA-N 1 1 334.419 3.763 20 30 EHEDMO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC001171573607 1137499000 /nfs/dbraw/zinc/49/90/00/1137499000.db2.gz RZQJIBGUSCDOJL-QGZVFWFLSA-N 1 1 334.419 3.763 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC001171632102 1137499809 /nfs/dbraw/zinc/49/98/09/1137499809.db2.gz UWTYOCAZVDWHFO-GOSISDBHSA-N 1 1 328.456 3.990 20 30 EHEDMO C[N@@H+](CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172054324 1137528385 /nfs/dbraw/zinc/52/83/85/1137528385.db2.gz VMXUKXDPJNMHGN-INIZCTEOSA-N 1 1 335.492 3.934 20 30 EHEDMO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H](CC#N)C1)C2 ZINC001172096303 1137532443 /nfs/dbraw/zinc/53/24/43/1137532443.db2.gz UQWKXJNDPSJGSR-FJIDUMEYSA-N 1 1 347.503 3.933 20 30 EHEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001172102726 1137536620 /nfs/dbraw/zinc/53/66/20/1137536620.db2.gz PQMXRZPWSJMIOF-ZJPYXAASSA-N 1 1 332.488 3.652 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001172308537 1137545662 /nfs/dbraw/zinc/54/56/62/1137545662.db2.gz YLOMOBLTOWDLBD-CRAIPNDOSA-N 1 1 328.456 3.543 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001172309840 1137546061 /nfs/dbraw/zinc/54/60/61/1137546061.db2.gz CFZVQLCITOLPQJ-VGSWGCGISA-N 1 1 345.446 3.904 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001172313391 1137546152 /nfs/dbraw/zinc/54/61/52/1137546152.db2.gz WECMESSXGAKRDT-ZBEGNZNMSA-N 1 1 334.345 3.846 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001172354264 1137554008 /nfs/dbraw/zinc/55/40/08/1137554008.db2.gz FXSJVOGTXGYOIC-QRVBRYPASA-N 1 1 346.519 3.505 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001172361707 1137554488 /nfs/dbraw/zinc/55/44/88/1137554488.db2.gz LFMDYPKSOUNWAC-CEXWTWQISA-N 1 1 328.516 3.870 20 30 EHEDMO CCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001172359109 1137554576 /nfs/dbraw/zinc/55/45/76/1137554576.db2.gz UJOAXXAYOZGSNP-OTWHNJEPSA-N 1 1 346.519 3.505 20 30 EHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(OC3CCCC3)nc2)no1 ZINC000872175346 1137575207 /nfs/dbraw/zinc/57/52/07/1137575207.db2.gz OVIFUVXYEAXKIX-CYBMUJFWSA-N 1 1 334.807 3.595 20 30 EHEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872259812 1137576735 /nfs/dbraw/zinc/57/67/35/1137576735.db2.gz JYNQLQRPCSAQJD-LJQANCHMSA-N 1 1 327.472 3.548 20 30 EHEDMO CSc1nnc(SC)n1[NH+]=CCCCCOc1ccccc1 ZINC000872417816 1137579843 /nfs/dbraw/zinc/57/98/43/1137579843.db2.gz POGJQXWDTUISKL-UHFFFAOYSA-N 1 1 336.486 3.805 20 30 EHEDMO C=CC[N@@H+](Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)C(C)C ZINC000876596267 1137656607 /nfs/dbraw/zinc/65/66/07/1137656607.db2.gz GXFUGBOXASYUDR-UHFFFAOYSA-N 1 1 337.464 3.831 20 30 EHEDMO CCc1ccc([C@@H](CNCc2cc(C#N)cnc2Cl)[NH+](C)C)cc1 ZINC000876884367 1137664500 /nfs/dbraw/zinc/66/45/00/1137664500.db2.gz HCWMHPPMDAKBOL-GOSISDBHSA-N 1 1 342.874 3.562 20 30 EHEDMO C[N@@H+](CCc1cccc(C(F)(F)F)n1)Cc1ccc(OCC#N)cc1 ZINC001137114520 1137665424 /nfs/dbraw/zinc/66/54/24/1137665424.db2.gz PSMVQAREGCPERO-UHFFFAOYSA-N 1 1 349.356 3.677 20 30 EHEDMO CCCC(=O)Nc1cccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000876936699 1137665693 /nfs/dbraw/zinc/66/56/93/1137665693.db2.gz KSLMYLZVMJRNBY-UHFFFAOYSA-N 1 1 342.830 3.635 20 30 EHEDMO CC(C)COc1cccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000876971915 1137666663 /nfs/dbraw/zinc/66/66/63/1137666663.db2.gz NPAFETVWZYBQAP-UHFFFAOYSA-N 1 1 329.831 3.931 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000877491925 1137678306 /nfs/dbraw/zinc/67/83/06/1137678306.db2.gz YQEBTKULYFGOBW-HKUYNNGSSA-N 1 1 343.471 3.565 20 30 EHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)c1 ZINC000877576481 1137681789 /nfs/dbraw/zinc/68/17/89/1137681789.db2.gz MWISBQXWLMMAIO-OAHLLOKOSA-N 1 1 347.871 3.662 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)cc1 ZINC000877821181 1137691758 /nfs/dbraw/zinc/69/17/58/1137691758.db2.gz LKSGBGHYBLWUIV-OAHLLOKOSA-N 1 1 326.362 3.641 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)cc1 ZINC000877823062 1137692055 /nfs/dbraw/zinc/69/20/55/1137692055.db2.gz JREIIOBWBOJANH-WWGRRREGSA-N 1 1 342.361 3.519 20 30 EHEDMO FC(F)(F)OCCC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000878113237 1137702964 /nfs/dbraw/zinc/70/29/64/1137702964.db2.gz WWSQINVSNQLSPZ-UHFFFAOYSA-N 1 1 333.194 3.730 20 30 EHEDMO FC(F)(F)OCCC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000878113237 1137702965 /nfs/dbraw/zinc/70/29/65/1137702965.db2.gz WWSQINVSNQLSPZ-UHFFFAOYSA-N 1 1 333.194 3.730 20 30 EHEDMO C#CCCCCC[N@@H+]1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000878179279 1137706162 /nfs/dbraw/zinc/70/61/62/1137706162.db2.gz VCIMHCRYQOHVDS-KRWDZBQOSA-N 1 1 349.544 3.552 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCc2ccc(F)cc2C1)c1ccccc1 ZINC000878273691 1137709266 /nfs/dbraw/zinc/70/92/66/1137709266.db2.gz BFUPZYFNUNRVHU-NRFANRHFSA-N 1 1 336.410 3.624 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCc2ccc(F)cc2C1)c1ccccc1 ZINC000878273691 1137709267 /nfs/dbraw/zinc/70/92/67/1137709267.db2.gz BFUPZYFNUNRVHU-NRFANRHFSA-N 1 1 336.410 3.624 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)C1CC(OC(C)(C)C)C1)c1ccccc1 ZINC000878722545 1137726310 /nfs/dbraw/zinc/72/63/10/1137726310.db2.gz HHVBEUWFMOGIKB-GZNCHQMQSA-N 1 1 342.483 3.705 20 30 EHEDMO C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000888789070 1137760373 /nfs/dbraw/zinc/76/03/73/1137760373.db2.gz CUCACZNSYKFFNL-WMZOPIPTSA-N 1 1 336.435 3.524 20 30 EHEDMO CC(C)C(N)=[NH+]O[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000128571765 1137785813 /nfs/dbraw/zinc/78/58/13/1137785813.db2.gz UAOFTGOXNJPCHT-VIFPVBQESA-N 1 1 342.321 3.761 20 30 EHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cccc3cccnc31)C2 ZINC001137173199 1137819950 /nfs/dbraw/zinc/81/99/50/1137819950.db2.gz KQGMRTHVLISCQP-JOCHJYFZSA-N 1 1 349.478 3.768 20 30 EHEDMO C[C@H](c1ccccc1)[NH+]1CCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000882810504 1137834835 /nfs/dbraw/zinc/83/48/35/1137834835.db2.gz QZSQZTSSGUVYHS-GFCCVEGCSA-N 1 1 332.860 3.551 20 30 EHEDMO C=CCc1cc(C[NH2+]Cc2ccc(C)nc2Cl)cc(OC)c1O ZINC000883292787 1137853141 /nfs/dbraw/zinc/85/31/41/1137853141.db2.gz ZJDODMBLBFDBFN-UHFFFAOYSA-N 1 1 332.831 3.776 20 30 EHEDMO Cc1cccc2ncc(C[NH+]3CCC(C#N)(c4ccccc4)CC3)n21 ZINC001137190955 1137863116 /nfs/dbraw/zinc/86/31/16/1137863116.db2.gz MOXMEXPCJPNWFW-UHFFFAOYSA-N 1 1 330.435 3.700 20 30 EHEDMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000120125163 1137946719 /nfs/dbraw/zinc/94/67/19/1137946719.db2.gz IPAKLTAZBULRJI-INIZCTEOSA-N 1 1 343.471 3.587 20 30 EHEDMO COC(=O)c1cc(N[NH+]=C(C)c2c(C)cc(N)cc2C)ccc1C ZINC000884471973 1137960596 /nfs/dbraw/zinc/96/05/96/1137960596.db2.gz LQEZHUGMUBPBHJ-UHFFFAOYSA-N 1 1 325.412 3.817 20 30 EHEDMO C=CCn1ncc2ccc(NC(=O)C[C@H](C)n3cc[nH+]c3CC)cc21 ZINC000885572670 1138009638 /nfs/dbraw/zinc/00/96/38/1138009638.db2.gz PAJYFANZVDTJHT-AWEZNQCLSA-N 1 1 337.427 3.571 20 30 EHEDMO C[N@H+](Cc1cccc(Cl)c1Cl)C[C@@H](O)CC1(C#N)CCC1 ZINC000885931053 1138026080 /nfs/dbraw/zinc/02/60/80/1138026080.db2.gz NWHSHZXZEHAJKI-ZDUSSCGKSA-N 1 1 327.255 3.870 20 30 EHEDMO Cc1cccc(C[N@H+](Cc2ccccn2)C[C@H](O)CC2(C#N)CCC2)c1 ZINC000886069176 1138037677 /nfs/dbraw/zinc/03/76/77/1138037677.db2.gz COXCMVNTIOSGKE-OAQYLSRUSA-N 1 1 349.478 3.837 20 30 EHEDMO C=C1CCC(CNC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001687541200 1138067613 /nfs/dbraw/zinc/06/76/13/1138067613.db2.gz HCDKIGSWYHADOA-UHFFFAOYSA-N 1 1 343.515 3.943 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2nnc(-c3cc4ccccc4cc3OC)o2)C1 ZINC000886365612 1138071393 /nfs/dbraw/zinc/07/13/93/1138071393.db2.gz MKYFMVWEIXWAHW-OAHLLOKOSA-N 1 1 347.418 3.744 20 30 EHEDMO CCC[N@H+]1Cc2cccc(N[C@H](C)C(=O)Nc3cccc(C#N)c3)c2C1 ZINC000066968676 1138079407 /nfs/dbraw/zinc/07/94/07/1138079407.db2.gz UTYIVQISGWHFJU-OAHLLOKOSA-N 1 1 348.450 3.723 20 30 EHEDMO CC(C)(CCC#N)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886610878 1138101715 /nfs/dbraw/zinc/10/17/15/1138101715.db2.gz MOKCBHGOYJQKFK-UFYCRDLUSA-N 1 1 325.500 3.959 20 30 EHEDMO C=CCC1(O)CC[NH+]([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000886759753 1138133857 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CC[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc(C)cs1 ZINC000184381890 1140099489 /nfs/dbraw/zinc/09/94/89/1140099489.db2.gz HVQARVFAWSAPMB-AWEZNQCLSA-N 1 1 348.859 3.656 20 30 EHEDMO CC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1nc(C)cs1 ZINC000184393651 1140100449 /nfs/dbraw/zinc/10/04/49/1140100449.db2.gz DVXHIQOOZJUQCD-CYBMUJFWSA-N 1 1 348.859 3.656 20 30 EHEDMO CCC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000185854938 1140173429 /nfs/dbraw/zinc/17/34/29/1140173429.db2.gz NEPZSWDNQWVYQH-HNNXBMFYSA-N 1 1 331.485 3.895 20 30 EHEDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187666627 1140266657 /nfs/dbraw/zinc/26/66/57/1140266657.db2.gz ZBIZIBPOPHXGDI-JTDSTZFVSA-N 1 1 327.472 3.636 20 30 EHEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1nccs1)c1ccc(F)c(F)c1 ZINC000187789739 1140271872 /nfs/dbraw/zinc/27/18/72/1140271872.db2.gz CDIGZKWIMIZQHT-IINYFYTJSA-N 1 1 337.395 3.655 20 30 EHEDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)nc1 ZINC000189053722 1140318381 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C=CCCC[C@@H]([NH3+])c1nc(Cc2ccc(OC(F)(F)F)cc2)no1 ZINC000904667536 1032189505 /nfs/dbraw/zinc/18/95/05/1032189505.db2.gz ZEDULXSQNSIQKK-CYBMUJFWSA-N 1 1 341.333 3.915 20 30 EHEDMO CC1(C#N)CCC([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000449121330 1032212780 /nfs/dbraw/zinc/21/27/80/1032212780.db2.gz HIBYFRJGIYRXHF-QNGMFEMESA-N 1 1 325.500 3.613 20 30 EHEDMO CC1(C#N)CCC([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000449121330 1032212793 /nfs/dbraw/zinc/21/27/93/1032212793.db2.gz HIBYFRJGIYRXHF-QNGMFEMESA-N 1 1 325.500 3.613 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000485008725 1032235350 /nfs/dbraw/zinc/23/53/50/1032235350.db2.gz WWUDGJIJSAJPAX-FUHWJXTLSA-N 1 1 345.487 3.978 20 30 EHEDMO N#Cc1cc(F)ccc1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459537082 1032249011 /nfs/dbraw/zinc/24/90/11/1032249011.db2.gz ZBWSOUBXSYZTRJ-UHFFFAOYSA-N 1 1 336.410 3.761 20 30 EHEDMO Cn1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(C(C)(C)C)n1 ZINC000538304855 1032284024 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EHEDMO CN1CC[N@H+](Cc2ccccc2C(C)(C)C#N)[C@H](c2ccccc2)C1 ZINC000538377229 1032327170 /nfs/dbraw/zinc/32/71/70/1032327170.db2.gz IOHZZYCCCDCCDS-NRFANRHFSA-N 1 1 333.479 3.976 20 30 EHEDMO CN1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H](c2ccccc2)C1 ZINC000538377229 1032327176 /nfs/dbraw/zinc/32/71/76/1032327176.db2.gz IOHZZYCCCDCCDS-NRFANRHFSA-N 1 1 333.479 3.976 20 30 EHEDMO N#Cc1csc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459657485 1032370132 /nfs/dbraw/zinc/37/01/32/1032370132.db2.gz WZGSALJCGWPGLL-CQSZACIVSA-N 1 1 344.402 3.801 20 30 EHEDMO CC[N@@H+](CCC1CCN(C(=O)c2sccc2C#N)CC1)CC(C)C ZINC000536926387 1032426901 /nfs/dbraw/zinc/42/69/01/1032426901.db2.gz XHWJCZPNSIKVHU-UHFFFAOYSA-N 1 1 347.528 3.840 20 30 EHEDMO N#Cc1cccc([C@@H]2C[N@H+](CCCCC3CCOCC3)CCO2)c1 ZINC000376751591 1017084762 /nfs/dbraw/zinc/08/47/62/1017084762.db2.gz PFKYJICFLQBXQT-FQEVSTJZSA-N 1 1 328.456 3.528 20 30 EHEDMO N#Cc1cccc([C@@H]2C[N@@H+](CCCCC3CCOCC3)CCO2)c1 ZINC000376751591 1017084776 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CC(C)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000444751257 1028238611 /nfs/dbraw/zinc/23/86/11/1028238611.db2.gz CQPASTUSZQRUCG-DLBZAZTESA-N 1 1 345.462 3.829 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@]1(CO)CCC ZINC000444776254 1028265785 /nfs/dbraw/zinc/26/57/85/1028265785.db2.gz PADHIFHMYJYPNE-IBGZPJMESA-N 1 1 348.512 3.530 20 30 EHEDMO C=CC[C@@H]1[N@@H+](Cc2nc3oc(C)c(C)c3c(N)n2)CCCC1(C)C ZINC000444790501 1028287187 /nfs/dbraw/zinc/28/71/87/1028287187.db2.gz JGBMVWOBDNFXGW-AWEZNQCLSA-N 1 1 328.460 3.989 20 30 EHEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@]34CCOC4)c2)c1 ZINC000421395718 1028374178 /nfs/dbraw/zinc/37/41/78/1028374178.db2.gz JEUZJLRVEHRCFM-OAQYLSRUSA-N 1 1 334.419 3.502 20 30 EHEDMO C=CC[C@H]1N(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CCCC1(C)C ZINC000444891548 1028374952 /nfs/dbraw/zinc/37/49/52/1028374952.db2.gz WTUYGSOYNPYEMJ-DOTOQJQBSA-N 1 1 333.476 3.659 20 30 EHEDMO CCCC[N@@H+]1CCCC[C@@H]1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000729682945 1028448635 /nfs/dbraw/zinc/44/86/35/1028448635.db2.gz VXWNSOYMEHVTLH-IEBWSBKVSA-N 1 1 329.488 3.722 20 30 EHEDMO CCCC[N@H+]1CCCC[C@@H]1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000729682945 1028448646 /nfs/dbraw/zinc/44/86/46/1028448646.db2.gz VXWNSOYMEHVTLH-IEBWSBKVSA-N 1 1 329.488 3.722 20 30 EHEDMO CCn1c(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)nc2ccccc21 ZINC000729682887 1028448760 /nfs/dbraw/zinc/44/87/60/1028448760.db2.gz GWKFDGRLQCTAEW-HNNXBMFYSA-N 1 1 334.423 3.637 20 30 EHEDMO COc1cc(CNC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)ccc1C#N ZINC000440643149 1028500386 /nfs/dbraw/zinc/50/03/86/1028500386.db2.gz ZNMWKRMTLUPEOO-NRFANRHFSA-N 1 1 349.478 3.567 20 30 EHEDMO COc1cc(CNC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000440643149 1028500393 /nfs/dbraw/zinc/50/03/93/1028500393.db2.gz ZNMWKRMTLUPEOO-NRFANRHFSA-N 1 1 349.478 3.567 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429591653 1028588605 /nfs/dbraw/zinc/58/86/05/1028588605.db2.gz OPHQOWUZSYWOMM-BZUAXINKSA-N 1 1 345.512 3.997 20 30 EHEDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccccc1Oc1ccccc1C#N ZINC000421712632 1028709317 /nfs/dbraw/zinc/70/93/17/1028709317.db2.gz QZINWRLCUJMDPN-KRWDZBQOSA-N 1 1 349.434 3.517 20 30 EHEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccccc2)no1 ZINC001211975851 1028726958 /nfs/dbraw/zinc/72/69/58/1028726958.db2.gz RIHMJKSOPFTPIB-IRXDYDNUSA-N 1 1 329.444 3.815 20 30 EHEDMO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000424146664 1028835024 /nfs/dbraw/zinc/83/50/24/1028835024.db2.gz PYAADJPBJBGKBI-OAHLLOKOSA-N 1 1 339.443 3.570 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(C#N)cc1 ZINC000487515919 1029007226 /nfs/dbraw/zinc/00/72/26/1029007226.db2.gz LSLPCYALIFSFBC-OXQOHEQNSA-N 1 1 348.450 3.590 20 30 EHEDMO C[C@H](C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000532942481 1029081370 /nfs/dbraw/zinc/08/13/70/1029081370.db2.gz GISLGVRWLRDLEC-CQSZACIVSA-N 1 1 341.842 3.886 20 30 EHEDMO C=C(C)C(C)(C)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000424583567 1029131888 /nfs/dbraw/zinc/13/18/88/1029131888.db2.gz MVZCWBJDACUBBD-CALCHBBNSA-N 1 1 344.499 3.514 20 30 EHEDMO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000445883796 1029193409 /nfs/dbraw/zinc/19/34/09/1029193409.db2.gz HURMKPPVSMWXPC-ZDUSSCGKSA-N 1 1 338.333 3.675 20 30 EHEDMO CO[C@H](C)c1nc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cs1 ZINC000271869312 1029208274 /nfs/dbraw/zinc/20/82/74/1029208274.db2.gz VSCDMEXYVRSIQM-QWHCGFSZSA-N 1 1 331.441 3.604 20 30 EHEDMO C[C@H](CNC(=O)C(C)(C)Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@@H]1C ZINC000454726001 1029239514 /nfs/dbraw/zinc/23/95/14/1029239514.db2.gz YNYCMOXLDNUZGY-DLBZAZTESA-N 1 1 341.499 3.506 20 30 EHEDMO C=CCOc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1OC ZINC000245759034 1029255168 /nfs/dbraw/zinc/25/51/68/1029255168.db2.gz PHGWHAVOCJWEDZ-MOPGFXCFSA-N 1 1 344.499 3.707 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)C(C)(C)C)c1C ZINC000533250356 1029527573 /nfs/dbraw/zinc/52/75/73/1029527573.db2.gz AUTFKJCXTIBGON-QGZVFWFLSA-N 1 1 329.488 3.917 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000248343186 1029694989 /nfs/dbraw/zinc/69/49/89/1029694989.db2.gz KAGBPCJFKGVYAY-HKUYNNGSSA-N 1 1 347.462 3.761 20 30 EHEDMO CC[C@H](O)C[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000441071248 1029744890 /nfs/dbraw/zinc/74/48/90/1029744890.db2.gz WSLLLLPAXNHLCH-FQEVSTJZSA-N 1 1 338.451 3.600 20 30 EHEDMO CC[N@H+](Cc1ccc(OC)cc1OC)Cc1cc(C#N)ccc1OC ZINC000446848117 1029816702 /nfs/dbraw/zinc/81/67/02/1029816702.db2.gz FEONPCUFEWMVEE-UHFFFAOYSA-N 1 1 340.423 3.606 20 30 EHEDMO CC[N@@H+](Cc1ccc(OC)cc1OC)Cc1cc(C#N)ccc1OC ZINC000446848117 1029816708 /nfs/dbraw/zinc/81/67/08/1029816708.db2.gz FEONPCUFEWMVEE-UHFFFAOYSA-N 1 1 340.423 3.606 20 30 EHEDMO COCC[N@H+](CC#Cc1cccc(Cl)c1)Cc1ccc(C#N)cc1 ZINC000446840286 1029820223 /nfs/dbraw/zinc/82/02/23/1029820223.db2.gz YHFIIZJZAQKMSH-UHFFFAOYSA-N 1 1 338.838 3.712 20 30 EHEDMO COCC[N@@H+](CC#Cc1cccc(Cl)c1)Cc1ccc(C#N)cc1 ZINC000446840286 1029820232 /nfs/dbraw/zinc/82/02/32/1029820232.db2.gz YHFIIZJZAQKMSH-UHFFFAOYSA-N 1 1 338.838 3.712 20 30 EHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(CC#N)cc2Cl)[C@@H](C)C1 ZINC000455695786 1029837762 /nfs/dbraw/zinc/83/77/62/1029837762.db2.gz BLSHNLYDPFDRPH-GUYCJALGSA-N 1 1 348.878 3.600 20 30 EHEDMO CC[C@H](C[N@@H+](CC)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000481768050 1029934060 /nfs/dbraw/zinc/93/40/60/1029934060.db2.gz PDOBKEPZRRBQOA-DBXWQHBBSA-N 1 1 343.515 3.945 20 30 EHEDMO C[N@@H+]1CC[C@H](NC(=O)C2(C#N)CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000090002410 1030055759 /nfs/dbraw/zinc/05/57/59/1030055759.db2.gz YZSAZBZMEICIOG-IRXDYDNUSA-N 1 1 345.874 3.675 20 30 EHEDMO C[N@H+]1CC[C@H](NC(=O)C2(C#N)CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000090002410 1030055773 /nfs/dbraw/zinc/05/57/73/1030055773.db2.gz YZSAZBZMEICIOG-IRXDYDNUSA-N 1 1 345.874 3.675 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2ccnc(OC3CCCC3)c2)c(F)c1 ZINC000343282451 1030085083 /nfs/dbraw/zinc/08/50/83/1030085083.db2.gz IEFIQGCHBAMQQB-UHFFFAOYSA-N 1 1 325.387 3.704 20 30 EHEDMO C=C[C@@H](CC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000245641559 1030189668 /nfs/dbraw/zinc/18/96/68/1030189668.db2.gz KOVJSZQBCQYFBB-MOPGFXCFSA-N 1 1 328.500 3.975 20 30 EHEDMO CC(C)[N@@H+](C[C@@H](O)COc1cccc2ccccc21)CC1(C#N)CC1 ZINC000343314864 1030238950 /nfs/dbraw/zinc/23/89/50/1030238950.db2.gz OQWMUXGEHBMLPU-GOSISDBHSA-N 1 1 338.451 3.594 20 30 EHEDMO COc1ccc(CC[C@@H]2CCCC[N@H+]2CC2(C#N)CC2)cc1OC ZINC000343322402 1030272223 /nfs/dbraw/zinc/27/22/23/1030272223.db2.gz QGCIDNCXOKMBOR-KRWDZBQOSA-N 1 1 328.456 3.795 20 30 EHEDMO C=CCC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000246261697 1030429949 /nfs/dbraw/zinc/42/99/49/1030429949.db2.gz GIWWAFPXJDJVQR-NZSAHSFTSA-N 1 1 329.488 3.676 20 30 EHEDMO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)CCC(=O)N(C)CCC#N ZINC000092799048 1030525554 /nfs/dbraw/zinc/52/55/54/1030525554.db2.gz OTOILDUNRBTOPI-LSDHHAIUSA-N 1 1 335.879 3.526 20 30 EHEDMO C=CCc1cc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)cc(OC)c1O ZINC000093442488 1030612820 /nfs/dbraw/zinc/61/28/20/1030612820.db2.gz XSANHXQGZHNQKO-IBGZPJMESA-N 1 1 341.451 3.685 20 30 EHEDMO CCN1CC[C@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)[C@H](C)C1 ZINC000093638956 1030644869 /nfs/dbraw/zinc/64/48/69/1030644869.db2.gz AYIDSWXLPMIHFO-XLIONFOSSA-N 1 1 329.488 3.531 20 30 EHEDMO CCN1CC[C@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)[C@H](C)C1 ZINC000093638956 1030644879 /nfs/dbraw/zinc/64/48/79/1030644879.db2.gz AYIDSWXLPMIHFO-XLIONFOSSA-N 1 1 329.488 3.531 20 30 EHEDMO CC[N@@H+]1CC[C@H](N(C)Cc2cccc(OCCCC#N)c2)[C@H](C)C1 ZINC000093638956 1030644885 /nfs/dbraw/zinc/64/48/85/1030644885.db2.gz AYIDSWXLPMIHFO-XLIONFOSSA-N 1 1 329.488 3.531 20 30 EHEDMO CC[N@H+]1CC[C@H](N(C)Cc2cccc(OCCCC#N)c2)[C@H](C)C1 ZINC000093638956 1030644889 /nfs/dbraw/zinc/64/48/89/1030644889.db2.gz AYIDSWXLPMIHFO-XLIONFOSSA-N 1 1 329.488 3.531 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)cc1OC ZINC000093864074 1030687929 /nfs/dbraw/zinc/68/79/29/1030687929.db2.gz YSXXXKYXNQRRFL-KRWDZBQOSA-N 1 1 341.455 3.503 20 30 EHEDMO C[C@@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000482890067 1030784221 /nfs/dbraw/zinc/78/42/21/1030784221.db2.gz VKTWEIIWTNMORF-HZSPNIEDSA-N 1 1 345.512 3.803 20 30 EHEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000115556184 1030881449 /nfs/dbraw/zinc/88/14/49/1030881449.db2.gz RFPOVMNHNCVWQF-AZUAARDMSA-N 1 1 347.462 3.811 20 30 EHEDMO C=CCCC1(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000475654300 1030903207 /nfs/dbraw/zinc/90/32/07/1030903207.db2.gz YPGBMJGCWQLNLY-UHFFFAOYSA-N 1 1 326.484 3.856 20 30 EHEDMO C=CCCC1(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000475654300 1030903214 /nfs/dbraw/zinc/90/32/14/1030903214.db2.gz YPGBMJGCWQLNLY-UHFFFAOYSA-N 1 1 326.484 3.856 20 30 EHEDMO COc1cc2c(cc1C[NH2+]C1(c3cccc(C#N)c3)CC1)O[C@@H](C)C2 ZINC000551226867 1031136554 /nfs/dbraw/zinc/13/65/54/1031136554.db2.gz BHQLTLJVZBVABE-AWEZNQCLSA-N 1 1 334.419 3.669 20 30 EHEDMO COc1ccc(C[N@H+](C)Cc2ccc(Br)cc2C#N)cc1 ZINC000314890312 1031171700 /nfs/dbraw/zinc/17/17/00/1031171700.db2.gz GVAQRTKNRCYLNC-UHFFFAOYSA-N 1 1 345.240 3.961 20 30 EHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(Br)cc2C#N)cc1 ZINC000314890312 1031171706 /nfs/dbraw/zinc/17/17/06/1031171706.db2.gz GVAQRTKNRCYLNC-UHFFFAOYSA-N 1 1 345.240 3.961 20 30 EHEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000483667095 1031270241 /nfs/dbraw/zinc/27/02/41/1031270241.db2.gz YNKPJKGPKZPOIY-ZDUSSCGKSA-N 1 1 346.377 3.928 20 30 EHEDMO CC[C@H]([NH2+]Cc1nc2c(s1)CCCC2)c1cccc(C#N)c1O ZINC000926918421 1031322397 /nfs/dbraw/zinc/32/23/97/1031322397.db2.gz HMOJYSYWYLQBCM-AWEZNQCLSA-N 1 1 327.453 3.840 20 30 EHEDMO C=C(C)[C@H](NC(=O)NCC[N@@H+]1CC=C(C)CC1)c1ccc(F)c(F)c1 ZINC000477224372 1031351915 /nfs/dbraw/zinc/35/19/15/1031351915.db2.gz RJODRSMFRQXONY-SFHVURJKSA-N 1 1 349.425 3.533 20 30 EHEDMO C=CCSc1ccccc1C(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000584012072 1031414951 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EHEDMO CC1(C)C[N@@H+](CCOc2ccc(C#N)cc2)CC[C@H]1C(F)(F)F ZINC000484362276 1031545948 /nfs/dbraw/zinc/54/59/48/1031545948.db2.gz SHTRCQAGHJKFBL-OAHLLOKOSA-N 1 1 326.362 3.847 20 30 EHEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000343612343 1031619033 /nfs/dbraw/zinc/61/90/33/1031619033.db2.gz GSRYSGFAUAMJJO-CQSZACIVSA-N 1 1 346.780 3.578 20 30 EHEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000343612343 1031619044 /nfs/dbraw/zinc/61/90/44/1031619044.db2.gz GSRYSGFAUAMJJO-CQSZACIVSA-N 1 1 346.780 3.578 20 30 EHEDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000178544352 1031678890 /nfs/dbraw/zinc/67/88/90/1031678890.db2.gz HWFITXNXPZDVLN-INIZCTEOSA-N 1 1 328.456 3.651 20 30 EHEDMO C=CC[N@H+](CC(=O)NCc1ccc(COC)cc1)CC1CCCCC1 ZINC000484689382 1031885928 /nfs/dbraw/zinc/88/59/28/1031885928.db2.gz MGMKTOQPJBANDE-UHFFFAOYSA-N 1 1 344.499 3.518 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2cccc(CC#N)c2)C1 ZINC000455911045 1031954811 /nfs/dbraw/zinc/95/48/11/1031954811.db2.gz DHWORBZYCAHARL-UZLBHIALSA-N 1 1 348.450 3.710 20 30 EHEDMO CC[C@@H](C)C[N@@H+](CC)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000343704936 1032012073 /nfs/dbraw/zinc/01/20/73/1032012073.db2.gz HKVKRBAEBKHYOY-HZPDHXFCSA-N 1 1 333.451 3.829 20 30 EHEDMO CC(C)C[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H]1CCCc2cccnc21 ZINC000598608767 1033335848 /nfs/dbraw/zinc/33/58/48/1033335848.db2.gz PGINMMGWGIUXBH-MSOLQXFVSA-N 1 1 329.488 3.718 20 30 EHEDMO C=CCc1cc(OCC)cc(CN2CC[C@H](C[N@@H+](C)CCC)C2)c1O ZINC000173446737 1033339048 /nfs/dbraw/zinc/33/90/48/1033339048.db2.gz LHYSUOCROIOWDH-QGZVFWFLSA-N 1 1 346.515 3.683 20 30 EHEDMO C=CCc1cc(OCC)cc(CN2CC[C@H](C[N@H+](C)CCC)C2)c1O ZINC000173446737 1033339057 /nfs/dbraw/zinc/33/90/57/1033339057.db2.gz LHYSUOCROIOWDH-QGZVFWFLSA-N 1 1 346.515 3.683 20 30 EHEDMO Cn1ccnc1[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(F)cc1F ZINC000898105693 1033352505 /nfs/dbraw/zinc/35/25/05/1033352505.db2.gz LNOIZNZXOCFQNS-KGYZHSKHSA-N 1 1 344.409 3.850 20 30 EHEDMO C[C@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1CO ZINC000598645245 1033357461 /nfs/dbraw/zinc/35/74/61/1033357461.db2.gz BHXSMBILXMPPKA-PMACEKPBSA-N 1 1 348.490 3.837 20 30 EHEDMO C=CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1cccs1 ZINC000063482958 1033388474 /nfs/dbraw/zinc/38/84/74/1033388474.db2.gz FXRZQBTWACBEBG-UHFFFAOYSA-N 1 1 325.437 3.637 20 30 EHEDMO N#Cc1ccc(C[N@H+](C[C@H](O)c2cccc(Cl)c2)C2CC2)cc1 ZINC000173582391 1033436089 /nfs/dbraw/zinc/43/60/89/1033436089.db2.gz GNKJPPZPALZRPS-IBGZPJMESA-N 1 1 326.827 3.910 20 30 EHEDMO N#Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(F)c1 ZINC000343806750 1033491193 /nfs/dbraw/zinc/49/11/93/1033491193.db2.gz KZGQYFURJXBHGM-RBUKOAKNSA-N 1 1 328.362 3.846 20 30 EHEDMO C=C1CCN(C(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000594846464 1033529650 /nfs/dbraw/zinc/52/96/50/1033529650.db2.gz STMFAHHYWKJLGD-SFHVURJKSA-N 1 1 342.483 3.732 20 30 EHEDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc(Br)cc2C#N)C1 ZINC000542118978 1033533387 /nfs/dbraw/zinc/53/33/87/1033533387.db2.gz DLKNMGWDADUILY-QGZVFWFLSA-N 1 1 342.240 3.919 20 30 EHEDMO N#Cc1ccc(CCNc2nc(N3Cc4ccccc4C3)cc[nH+]2)cc1 ZINC001167678499 1033534899 /nfs/dbraw/zinc/53/48/99/1033534899.db2.gz LBCMMADOUNGFGV-UHFFFAOYSA-N 1 1 341.418 3.523 20 30 EHEDMO N#CCCCOc1cccc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000594978821 1033582624 /nfs/dbraw/zinc/58/26/24/1033582624.db2.gz WTQHFCPDMNFXGJ-LJQANCHMSA-N 1 1 341.499 3.866 20 30 EHEDMO N#CCCCOc1cccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)c1 ZINC000594978821 1033582635 /nfs/dbraw/zinc/58/26/35/1033582635.db2.gz WTQHFCPDMNFXGJ-LJQANCHMSA-N 1 1 341.499 3.866 20 30 EHEDMO C[NH+](C)C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc(F)cc1 ZINC000594958688 1033597468 /nfs/dbraw/zinc/59/74/68/1033597468.db2.gz VAKVNZROZPBUNN-FQEVSTJZSA-N 1 1 337.442 3.773 20 30 EHEDMO CC(C)[N@@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1ccc(C#N)cc1 ZINC000063750449 1033668811 /nfs/dbraw/zinc/66/88/11/1033668811.db2.gz QPDTXDFTCDKOEP-UHFFFAOYSA-N 1 1 339.483 3.702 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(SC)c1 ZINC000595297176 1033721561 /nfs/dbraw/zinc/72/15/61/1033721561.db2.gz PYOFNGULRBFIKN-UHFFFAOYSA-N 1 1 326.465 3.929 20 30 EHEDMO CC(C)(C)C[N@@H+](CCC#N)CC[C@H]1Sc2ccccc2NC1=O ZINC000595329275 1033730119 /nfs/dbraw/zinc/73/01/19/1033730119.db2.gz PHDVMAIJGAULLB-MRXNPFEDSA-N 1 1 331.485 3.751 20 30 EHEDMO C[NH+](CCc1ccc(C#N)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595334132 1033733325 /nfs/dbraw/zinc/73/33/25/1033733325.db2.gz MKOPDGAZGPVJQD-QFIPXVFZSA-N 1 1 333.479 3.555 20 30 EHEDMO C[N@H+](CCc1ccc(C#N)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000595334132 1033733342 /nfs/dbraw/zinc/73/33/42/1033733342.db2.gz MKOPDGAZGPVJQD-QFIPXVFZSA-N 1 1 333.479 3.555 20 30 EHEDMO C[N@@H+](CCc1ccc(C#N)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000595334132 1033733358 /nfs/dbraw/zinc/73/33/58/1033733358.db2.gz MKOPDGAZGPVJQD-QFIPXVFZSA-N 1 1 333.479 3.555 20 30 EHEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595387187 1033786370 /nfs/dbraw/zinc/78/63/70/1033786370.db2.gz ASXSSQQWCPRZEB-HXUWFJFHSA-N 1 1 344.462 3.924 20 30 EHEDMO N#CC[C@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000595611019 1033922248 /nfs/dbraw/zinc/92/22/48/1033922248.db2.gz FYBLQRXDIPURAU-XLIONFOSSA-N 1 1 333.435 3.992 20 30 EHEDMO N#CC[C@H]1CCC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000595611019 1033922259 /nfs/dbraw/zinc/92/22/59/1033922259.db2.gz FYBLQRXDIPURAU-XLIONFOSSA-N 1 1 333.435 3.992 20 30 EHEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC000608886368 1033946510 /nfs/dbraw/zinc/94/65/10/1033946510.db2.gz AXVHNQSKVOKTAY-UHFFFAOYSA-N 1 1 329.488 3.521 20 30 EHEDMO C#Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000176990065 1033953984 /nfs/dbraw/zinc/95/39/84/1033953984.db2.gz HBYVFCNUHWAFAC-DYESRHJHSA-N 1 1 347.462 3.843 20 30 EHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000450258223 1033978031 /nfs/dbraw/zinc/97/80/31/1033978031.db2.gz ZVBRKWQWLYBDRF-UHFFFAOYSA-N 1 1 338.411 3.919 20 30 EHEDMO COc1cccc(C[C@@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)c1 ZINC000603867944 1033993757 /nfs/dbraw/zinc/99/37/57/1033993757.db2.gz FLFLDWQEXZHRQL-IBGZPJMESA-N 1 1 336.435 3.653 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000595844422 1034003966 /nfs/dbraw/zinc/00/39/66/1034003966.db2.gz DTXCVMCABFBBCB-MCIONIFRSA-N 1 1 341.480 3.618 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000595844422 1034003981 /nfs/dbraw/zinc/00/39/81/1034003981.db2.gz DTXCVMCABFBBCB-MCIONIFRSA-N 1 1 341.480 3.618 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000595844538 1034006737 /nfs/dbraw/zinc/00/67/37/1034006737.db2.gz GFAXXMOKYKJPDZ-VBNZEHGJSA-N 1 1 329.831 3.722 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595857049 1034011322 /nfs/dbraw/zinc/01/13/22/1034011322.db2.gz IGDICRPCZAHJDY-MHGPCZNRSA-N 1 1 325.456 3.585 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599583937 1034025119 /nfs/dbraw/zinc/02/51/19/1034025119.db2.gz SWOQNVLMBBUMLS-MAUKXSAKSA-N 1 1 328.456 3.552 20 30 EHEDMO CC[N@H+](Cc1ccn(CC(F)(F)F)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000450284100 1034049599 /nfs/dbraw/zinc/04/95/99/1034049599.db2.gz KWXPHCRFKHQQNR-ZDUSSCGKSA-N 1 1 336.361 3.900 20 30 EHEDMO CC[N@@H+](Cc1ccn(CC(F)(F)F)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000450284100 1034049614 /nfs/dbraw/zinc/04/96/14/1034049614.db2.gz KWXPHCRFKHQQNR-ZDUSSCGKSA-N 1 1 336.361 3.900 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nc(-c2cc(C)ccn2)no1 ZINC000450295883 1034071957 /nfs/dbraw/zinc/07/19/57/1034071957.db2.gz AMLZDNCZENMKEK-UHFFFAOYSA-N 1 1 334.423 3.671 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)Cc1nc(-c2cc(C)ccn2)no1 ZINC000450295883 1034071972 /nfs/dbraw/zinc/07/19/72/1034071972.db2.gz AMLZDNCZENMKEK-UHFFFAOYSA-N 1 1 334.423 3.671 20 30 EHEDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H]2CCC[C@H]21 ZINC000599656419 1034089615 /nfs/dbraw/zinc/08/96/15/1034089615.db2.gz IQCMNUUQZYDEPJ-SCTDSRPQSA-N 1 1 340.467 3.651 20 30 EHEDMO COC(=O)c1oc([C@@H](C)[N@@H+]2CCc3c(CC#N)cccc3C2)cc1C ZINC000599678689 1034106861 /nfs/dbraw/zinc/10/68/61/1034106861.db2.gz XQRYEYXPQDIKJW-CQSZACIVSA-N 1 1 338.407 3.560 20 30 EHEDMO COC(=O)c1oc([C@@H](C)[N@H+]2CCc3c(CC#N)cccc3C2)cc1C ZINC000599678689 1034106867 /nfs/dbraw/zinc/10/68/67/1034106867.db2.gz XQRYEYXPQDIKJW-CQSZACIVSA-N 1 1 338.407 3.560 20 30 EHEDMO N#CCc1cccc2c1CC[N@H+](Cc1cccc(OC(F)F)c1)C2 ZINC000599679137 1034108261 /nfs/dbraw/zinc/10/82/61/1034108261.db2.gz PSLNPHXVCDTRFY-UHFFFAOYSA-N 1 1 328.362 3.912 20 30 EHEDMO COC(=O)[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)Cc2ccccc21 ZINC000599682348 1034110620 /nfs/dbraw/zinc/11/06/20/1034110620.db2.gz PEKQRBVWUUNUEL-SFHVURJKSA-N 1 1 326.440 3.623 20 30 EHEDMO N#CC(CC[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21)(c1ccccc1)c1ccccc1 ZINC000599684550 1034112743 /nfs/dbraw/zinc/11/27/43/1034112743.db2.gz QTVCGSDDUXTQCA-VLCRHTCISA-N 1 1 346.474 3.732 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N#Cc1cnccc1C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000827984207 1042007152 /nfs/dbraw/zinc/00/71/52/1042007152.db2.gz DJGCFFGNJWNOAS-RTWAWAEBSA-N 1 1 335.451 3.822 20 30 EHEDMO C=CC[N@@H+](Cc1cncc(OCc2ccccc2)c1)[C@@H](C)COC ZINC000661240805 1042023898 /nfs/dbraw/zinc/02/38/98/1042023898.db2.gz RNHYWFVQIQLMSR-KRWDZBQOSA-N 1 1 326.440 3.684 20 30 EHEDMO C=C(CC)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000661288896 1042051080 /nfs/dbraw/zinc/05/10/80/1042051080.db2.gz CSLAFRILMQCSRQ-IBGZPJMESA-N 1 1 341.499 3.554 20 30 EHEDMO C[C@@H](CNCc1cccc(OCCCC#N)c1)[NH+]1CCC(C)CC1 ZINC000236719338 1042056615 /nfs/dbraw/zinc/05/66/15/1042056615.db2.gz GLRIMYBLKOJCMP-SFHVURJKSA-N 1 1 329.488 3.579 20 30 EHEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(OCc3nccn3C)cc2)C1 ZINC000661382403 1042091251 /nfs/dbraw/zinc/09/12/51/1042091251.db2.gz VOLPVJYUFQRJFI-QGZVFWFLSA-N 1 1 325.456 3.787 20 30 EHEDMO C=CC[C@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@@H](CC=C)C3)COC2)C1 ZINC000661380302 1042093607 /nfs/dbraw/zinc/09/36/07/1042093607.db2.gz FIUPNWIBQJMDOI-BGYRXZFFSA-N 1 1 332.532 3.579 20 30 EHEDMO C=CC[C@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@@H](CC=C)C3)COC2)C1 ZINC000661380302 1042093616 /nfs/dbraw/zinc/09/36/16/1042093616.db2.gz FIUPNWIBQJMDOI-BGYRXZFFSA-N 1 1 332.532 3.579 20 30 EHEDMO C[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1CCO ZINC000661490078 1042145466 /nfs/dbraw/zinc/14/54/66/1042145466.db2.gz CNVBSFAXHATTPS-WMLDXEAASA-N 1 1 325.374 3.540 20 30 EHEDMO CC[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000125534895 1042286215 /nfs/dbraw/zinc/28/62/15/1042286215.db2.gz PWXMNGSSBPMNOI-MRXNPFEDSA-N 1 1 342.487 3.762 20 30 EHEDMO C=CC[N@@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)C(C)(C)C ZINC000661754886 1042307347 /nfs/dbraw/zinc/30/73/47/1042307347.db2.gz FKJIOXAZTAZXQV-UHFFFAOYSA-N 1 1 331.416 3.540 20 30 EHEDMO C=CC[N@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)C(C)(C)C ZINC000661754886 1042307352 /nfs/dbraw/zinc/30/73/52/1042307352.db2.gz FKJIOXAZTAZXQV-UHFFFAOYSA-N 1 1 331.416 3.540 20 30 EHEDMO N#Cc1ccc(Br)c(C[NH+]2CCC3(CCCC3=O)CC2)c1 ZINC000661957047 1042431153 /nfs/dbraw/zinc/43/11/53/1042431153.db2.gz DFGIEANTGGEGFJ-UHFFFAOYSA-N 1 1 347.256 3.656 20 30 EHEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000128639411 1042800713 /nfs/dbraw/zinc/80/07/13/1042800713.db2.gz YZSFEICNMPVZRC-MRXNPFEDSA-N 1 1 327.453 3.511 20 30 EHEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)cc1 ZINC000350122232 1042815037 /nfs/dbraw/zinc/81/50/37/1042815037.db2.gz LZJOWCSDVYDAJQ-HSZRJFAPSA-N 1 1 329.465 3.621 20 30 EHEDMO Cn1cc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000278904535 1042890114 /nfs/dbraw/zinc/89/01/14/1042890114.db2.gz VLEWDFHABWLXCE-CQSZACIVSA-N 1 1 348.372 3.733 20 30 EHEDMO Cc1cc(OCC[NH+]2CCN([C@@H](C#N)C(C)C)CC2)ccc1C(C)C ZINC000609486076 1042983623 /nfs/dbraw/zinc/98/36/23/1042983623.db2.gz CLDFTSYSXOWFOW-NRFANRHFSA-N 1 1 343.515 3.663 20 30 EHEDMO C=CCC(C)(C)CNC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000432363460 1043001627 /nfs/dbraw/zinc/00/16/27/1043001627.db2.gz VOLIDOOTTJZUBP-IEBWSBKVSA-N 1 1 343.515 3.799 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(OC)c(OC)cc1OC ZINC000512042363 1043029542 /nfs/dbraw/zinc/02/95/42/1043029542.db2.gz XYJVLDHPFQNUKV-UHFFFAOYSA-N 1 1 341.451 3.943 20 30 EHEDMO CN(C(=O)c1ccccc1Oc1ccccc1C#N)[C@H]1CCC[N@@H+](C)C1 ZINC000182032249 1043098442 /nfs/dbraw/zinc/09/84/42/1043098442.db2.gz RWHRRDMFCKBGME-KRWDZBQOSA-N 1 1 349.434 3.517 20 30 EHEDMO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ncccc1C(F)(F)F ZINC000344112257 1043267087 /nfs/dbraw/zinc/26/70/87/1043267087.db2.gz LDXQMBUNXZODRE-UHFFFAOYSA-N 1 1 349.356 3.621 20 30 EHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ncccc1C(F)(F)F ZINC000344112257 1043267090 /nfs/dbraw/zinc/26/70/90/1043267090.db2.gz LDXQMBUNXZODRE-UHFFFAOYSA-N 1 1 349.356 3.621 20 30 EHEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1CCC(C(F)(F)F)CC1 ZINC000344154075 1043341864 /nfs/dbraw/zinc/34/18/64/1043341864.db2.gz VJMFNAZSXRJRGL-UHFFFAOYSA-N 1 1 339.361 3.550 20 30 EHEDMO C=CC[C@@H](CC)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000512168877 1043568954 /nfs/dbraw/zinc/56/89/54/1043568954.db2.gz WGZGDGOBHYKTAQ-RTBURBONSA-N 1 1 343.515 3.941 20 30 EHEDMO Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000344353659 1043720420 /nfs/dbraw/zinc/72/04/20/1043720420.db2.gz CUAFYSIHPNDZTQ-VQIMIIECSA-N 1 1 348.450 3.651 20 30 EHEDMO C#CCCCCCC[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC001192271028 1134990671 /nfs/dbraw/zinc/99/06/71/1134990671.db2.gz BKWBUQSCTBBNRM-KRWDZBQOSA-N 1 1 338.289 3.998 20 30 EHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000512215489 1044192635 /nfs/dbraw/zinc/19/26/35/1044192635.db2.gz WGFKIWUJMGTRDF-AWEZNQCLSA-N 1 1 330.384 3.819 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000512215489 1044192643 /nfs/dbraw/zinc/19/26/43/1044192643.db2.gz WGFKIWUJMGTRDF-AWEZNQCLSA-N 1 1 330.384 3.819 20 30 EHEDMO N#CCC[C@@H]([NH2+]Cc1ccc(Br)cn1)c1ccccc1 ZINC000344832813 1044499351 /nfs/dbraw/zinc/49/93/51/1044499351.db2.gz WSOGOZRSVWYUTJ-MRXNPFEDSA-N 1 1 330.229 3.979 20 30 EHEDMO C[C@H](c1ccccc1)[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000512274962 1044515761 /nfs/dbraw/zinc/51/57/61/1044515761.db2.gz CLKMMBXWQQRKNJ-QGZVFWFLSA-N 1 1 339.483 3.897 20 30 EHEDMO COC(=O)c1nc([C@@H]2CCC[N@@H+]2CC(C)(C)CCC#N)sc1C ZINC000279757898 1044527038 /nfs/dbraw/zinc/52/70/38/1044527038.db2.gz ZKCUJJJDLCRXOZ-ZDUSSCGKSA-N 1 1 335.473 3.705 20 30 EHEDMO COC(=O)c1nc([C@@H]2CCC[N@H+]2CC(C)(C)CCC#N)sc1C ZINC000279757898 1044527052 /nfs/dbraw/zinc/52/70/52/1044527052.db2.gz ZKCUJJJDLCRXOZ-ZDUSSCGKSA-N 1 1 335.473 3.705 20 30 EHEDMO Fc1ccc(OCC[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 ZINC000076180925 1125606534 /nfs/dbraw/zinc/60/65/34/1125606534.db2.gz FIIXHEXOGOVDLT-VXGBXAGGSA-N 1 1 345.258 3.877 20 30 EHEDMO C=C[C@@H](CC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000620774283 1125730044 /nfs/dbraw/zinc/73/00/44/1125730044.db2.gz ZRIAFMCDZDRGJM-PZJWPPBQSA-N 1 1 334.463 3.737 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000183757684 1125773729 /nfs/dbraw/zinc/77/37/29/1125773729.db2.gz CUKHWOURCNMTIB-VXGBXAGGSA-N 1 1 342.270 3.652 20 30 EHEDMO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CC[C@@H](C)[C@H]2CC)c1=S ZINC000184983518 1126728894 /nfs/dbraw/zinc/72/88/94/1126728894.db2.gz XNZLCUOFHJZUOP-GDBMZVCRSA-N 1 1 343.500 3.740 20 30 EHEDMO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@@H](C)[C@H]2CC)c1=S ZINC000184983518 1126728896 /nfs/dbraw/zinc/72/88/96/1126728896.db2.gz XNZLCUOFHJZUOP-GDBMZVCRSA-N 1 1 343.500 3.740 20 30 EHEDMO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CC[C@H](C)[C@H]2CC)c1=S ZINC000184989454 1126729526 /nfs/dbraw/zinc/72/95/26/1126729526.db2.gz YPZAGHITVUPEEG-GOEBONIOSA-N 1 1 343.500 3.740 20 30 EHEDMO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CC[C@H](C)[C@H]2CC)c1=S ZINC000184989454 1126729529 /nfs/dbraw/zinc/72/95/29/1126729529.db2.gz YPZAGHITVUPEEG-GOEBONIOSA-N 1 1 343.500 3.740 20 30 EHEDMO CCC(CC)C[N@H+](CCC#N)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000072692734 1126855293 /nfs/dbraw/zinc/85/52/93/1126855293.db2.gz SBFIGBPSRCWCKS-SFHVURJKSA-N 1 1 329.444 3.664 20 30 EHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000072692734 1126855295 /nfs/dbraw/zinc/85/52/95/1126855295.db2.gz SBFIGBPSRCWCKS-SFHVURJKSA-N 1 1 329.444 3.664 20 30 EHEDMO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCCc3cn[nH]c32)cc1OC ZINC000623452386 1126958671 /nfs/dbraw/zinc/95/86/71/1126958671.db2.gz BGVHARUSPRCVAZ-HNNXBMFYSA-N 1 1 347.846 3.804 20 30 EHEDMO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1OC ZINC000623452386 1126958673 /nfs/dbraw/zinc/95/86/73/1126958673.db2.gz BGVHARUSPRCVAZ-HNNXBMFYSA-N 1 1 347.846 3.804 20 30 EHEDMO C[C@H](NCC#Cc1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185700116 1126987213 /nfs/dbraw/zinc/98/72/13/1126987213.db2.gz KOVHOQWBNSGUQF-FUHWJXTLSA-N 1 1 330.903 3.934 20 30 EHEDMO CC[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(F)cc1F ZINC000179625238 1127076396 /nfs/dbraw/zinc/07/63/96/1127076396.db2.gz BDQBMINGHQBQIN-QGZVFWFLSA-N 1 1 349.425 3.690 20 30 EHEDMO C#CC[N@H+](Cc1ccc(OC(F)F)c(Br)c1)C1CC1 ZINC000764676658 1127521672 /nfs/dbraw/zinc/52/16/72/1127521672.db2.gz NDMDPWLRGFBQSY-UHFFFAOYSA-N 1 1 330.172 3.648 20 30 EHEDMO CC[NH+](CC)CCOc1ccc(CNCc2csc(C#N)c2)cc1 ZINC000921544023 1127692057 /nfs/dbraw/zinc/69/20/57/1127692057.db2.gz QCIVRGYOBVFUIB-UHFFFAOYSA-N 1 1 343.496 3.630 20 30 EHEDMO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC000338585281 1127865517 /nfs/dbraw/zinc/86/55/17/1127865517.db2.gz PLNLWFZUIOFISB-FQEVSTJZSA-N 1 1 334.398 3.652 20 30 EHEDMO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC000338585281 1127865521 /nfs/dbraw/zinc/86/55/21/1127865521.db2.gz PLNLWFZUIOFISB-FQEVSTJZSA-N 1 1 334.398 3.652 20 30 EHEDMO CCC1CC[NH+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000108360097 1128131158 /nfs/dbraw/zinc/13/11/58/1128131158.db2.gz JEDIFBMEEVLZCX-HNNXBMFYSA-N 1 1 345.512 3.999 20 30 EHEDMO C=CC[NH+]1CCC(NCc2cc(Cl)cc(Br)c2)CC1 ZINC001649107481 1128272536 /nfs/dbraw/zinc/27/25/36/1128272536.db2.gz TVLJZVLUPREHEK-UHFFFAOYSA-N 1 1 343.696 3.843 20 30 EHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000785444454 1128478389 /nfs/dbraw/zinc/47/83/89/1128478389.db2.gz ILCABKHZGZAADB-OAHLLOKOSA-N 1 1 331.460 3.682 20 30 EHEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H](C#N)C(C)(C)C)c1 ZINC000085437474 1128551234 /nfs/dbraw/zinc/55/12/34/1128551234.db2.gz OFVJZXQCAFWSRJ-HXUWFJFHSA-N 1 1 349.478 3.987 20 30 EHEDMO N#Cc1ccc2nc(N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc2c1 ZINC000301952926 1128613169 /nfs/dbraw/zinc/61/31/69/1128613169.db2.gz HPWSEUIVTHMLPH-FXAWDEMLSA-N 1 1 332.451 3.560 20 30 EHEDMO C[C@H]1CCC[N@@H+](CCCCNc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000301273954 1128581531 /nfs/dbraw/zinc/58/15/31/1128581531.db2.gz IHOTZBFPBURACS-ZDUSSCGKSA-N 1 1 340.393 3.896 20 30 EHEDMO N#Cc1cccc(NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)n1 ZINC000301297440 1128582575 /nfs/dbraw/zinc/58/25/75/1128582575.db2.gz YIFVLPLRPUTLOB-MRXNPFEDSA-N 1 1 344.821 3.995 20 30 EHEDMO N#Cc1nc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)ccc1Cl ZINC000301304975 1128583305 /nfs/dbraw/zinc/58/33/05/1128583305.db2.gz TZRGDGDRTJKFBB-OAHLLOKOSA-N 1 1 326.831 3.683 20 30 EHEDMO C[N@@H+]1CC[C@@H](Nc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301847505 1128608147 /nfs/dbraw/zinc/60/81/47/1128608147.db2.gz NLJOUJQCILVLBB-NVXWUHKLSA-N 1 1 330.794 3.603 20 30 EHEDMO C[N@H+]1CC[C@@H](Nc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301847505 1128608149 /nfs/dbraw/zinc/60/81/49/1128608149.db2.gz NLJOUJQCILVLBB-NVXWUHKLSA-N 1 1 330.794 3.603 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccc(Cl)c(C#N)n1 ZINC000302163150 1128623727 /nfs/dbraw/zinc/62/37/27/1128623727.db2.gz IEDWDFZQZMUGOP-CXAGYDPISA-N 1 1 326.831 3.539 20 30 EHEDMO C[N@@H+](CCNc1nc(C(F)(F)F)ccc1C#N)Cc1ccccc1 ZINC000360277510 1128680597 /nfs/dbraw/zinc/68/05/97/1128680597.db2.gz CMWOEHHRXYRPEE-UHFFFAOYSA-N 1 1 334.345 3.516 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000303539276 1128682023 /nfs/dbraw/zinc/68/20/23/1128682023.db2.gz FXJACWUHMTXLTE-VGSWGCGISA-N 1 1 347.462 3.939 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000303539276 1128682027 /nfs/dbraw/zinc/68/20/27/1128682027.db2.gz FXJACWUHMTXLTE-VGSWGCGISA-N 1 1 347.462 3.939 20 30 EHEDMO N#Cc1ccc(CNc2cc[nH+]c3cc(Br)ccc23)nc1 ZINC000780612003 1128708329 /nfs/dbraw/zinc/70/83/29/1128708329.db2.gz GTTOZTSOEMIPAW-UHFFFAOYSA-N 1 1 339.196 3.876 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000153847741 1128758370 /nfs/dbraw/zinc/75/83/70/1128758370.db2.gz FVLDOQVHQDCQIS-LJQANCHMSA-N 1 1 336.435 3.606 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2NCc2csc(C#N)c2)C[C@H](C)O1 ZINC000921873869 1128862918 /nfs/dbraw/zinc/86/29/18/1128862918.db2.gz NPKUZSLUPXSOTA-GASCZTMLSA-N 1 1 341.480 3.841 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccccc2NCc2csc(C#N)c2)C[C@H](C)O1 ZINC000921873869 1128862921 /nfs/dbraw/zinc/86/29/21/1128862921.db2.gz NPKUZSLUPXSOTA-GASCZTMLSA-N 1 1 341.480 3.841 20 30 EHEDMO CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(C#N)cc1 ZINC000063504285 1128881197 /nfs/dbraw/zinc/88/11/97/1128881197.db2.gz AVUUNIZWMGBILJ-UHFFFAOYSA-N 1 1 346.434 3.671 20 30 EHEDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000007787531 1128886363 /nfs/dbraw/zinc/88/63/63/1128886363.db2.gz BYADMDMARFNFNW-CYBMUJFWSA-N 1 1 331.485 3.559 20 30 EHEDMO C[C@@H]1CC[N@H+](CCNCc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000525800450 1120295122 /nfs/dbraw/zinc/29/51/22/1120295122.db2.gz ILEOBFFRCBXFHX-GOSISDBHSA-N 1 1 349.478 3.569 20 30 EHEDMO C[C@@H]1CC[N@@H+](CCNCc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000525800450 1120295128 /nfs/dbraw/zinc/29/51/28/1120295128.db2.gz ILEOBFFRCBXFHX-GOSISDBHSA-N 1 1 349.478 3.569 20 30 EHEDMO CC#CCCCC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000185134425 1120401506 /nfs/dbraw/zinc/40/15/06/1120401506.db2.gz XKDIEJHCPBXJCM-SFHVURJKSA-N 1 1 326.484 3.728 20 30 EHEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc(CC#N)c1 ZINC000187320439 1120493614 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C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(OCc2cccnc2)cc1 ZINC000133593692 1123405925 /nfs/dbraw/zinc/40/59/25/1123405925.db2.gz GUUHTYCHXPJRAJ-IAGOWNOFSA-N 1 1 334.423 3.755 20 30 EHEDMO COc1ccc(COCC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000609385201 1123567753 /nfs/dbraw/zinc/56/77/53/1123567753.db2.gz BWOKHDYHWLOBEV-UHFFFAOYSA-N 1 1 336.435 3.748 20 30 EHEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000609625629 1123628119 /nfs/dbraw/zinc/62/81/19/1123628119.db2.gz DWNZZHZTWZVXAZ-HXUWFJFHSA-N 1 1 333.435 3.896 20 30 EHEDMO N#Cc1ccccc1OCC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000064641327 1123693489 /nfs/dbraw/zinc/69/34/89/1123693489.db2.gz TVPUASWLSDGLTE-FQEVSTJZSA-N 1 1 336.435 3.618 20 30 EHEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000610001816 1123710968 /nfs/dbraw/zinc/71/09/68/1123710968.db2.gz BWEMYVUOADTPDC-HKUYNNGSSA-N 1 1 327.472 3.834 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc(Cl)c(C#N)n1 ZINC000499651060 1129163130 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C[N@@H+](CCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1)C1CCCCC1 ZINC000619242720 1125323879 /nfs/dbraw/zinc/32/38/79/1125323879.db2.gz VIHQCSPZVNDWGU-KRWDZBQOSA-N 1 1 333.863 3.675 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2cnccc21 ZINC000183099927 1125441849 /nfs/dbraw/zinc/44/18/49/1125441849.db2.gz QSWYDWBIMBORAB-UHFFFAOYSA-N 1 1 331.419 3.755 20 30 EHEDMO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1Cl ZINC000114745865 1129189336 /nfs/dbraw/zinc/18/93/36/1129189336.db2.gz ANBPBAASHKTXSM-FZKQIMNGSA-N 1 1 339.826 3.668 20 30 EHEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]3Cc3cccc(F)c3)n2c1 ZINC000092121041 1129533907 /nfs/dbraw/zinc/53/39/07/1129533907.db2.gz MJOAJPRDLFZYDP-GOSISDBHSA-N 1 1 334.398 3.552 20 30 EHEDMO CC[N@@H+](Cc1ccoc1)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000092935961 1129569099 /nfs/dbraw/zinc/56/90/99/1129569099.db2.gz QOOHRSDZOZIQBO-UHFFFAOYSA-N 1 1 328.412 3.993 20 30 EHEDMO CC[N@@H+](CC(=O)N[C@H](C)c1cccs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125769786 1129714421 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C=CCC[C@H](NC(=S)NC[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000771850554 1133607620 /nfs/dbraw/zinc/60/76/20/1133607620.db2.gz MABHFVAVJDVELH-MSOLQXFVSA-N 1 1 331.529 3.642 20 30 EHEDMO CC#CCCCCCCCC(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001182766780 1133731245 /nfs/dbraw/zinc/73/12/45/1133731245.db2.gz AVLSZIYLWNYUBC-UHFFFAOYSA-N 1 1 330.516 3.685 20 30 EHEDMO Cc1cccc(C2(O)CC[NH+](Cc3cccc(C#N)c3F)CC2)c1C ZINC000774626827 1133806074 /nfs/dbraw/zinc/80/60/74/1133806074.db2.gz JNUDMYUNNXBACP-UHFFFAOYSA-N 1 1 338.426 3.798 20 30 EHEDMO CC#CCCCCOC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000786493903 1133863765 /nfs/dbraw/zinc/86/37/65/1133863765.db2.gz OAKHZZXZWXLTEF-UHFFFAOYSA-N 1 1 333.338 3.555 20 30 EHEDMO N#Cc1cc(Cl)ccc1COC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000786877277 1133916145 /nfs/dbraw/zinc/91/61/45/1133916145.db2.gz CHWBJPMMFVJARU-KRWDZBQOSA-N 1 1 332.831 3.662 20 30 EHEDMO CC(C)C[C@@H](C#N)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001184405877 1133935810 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EHEDMO c1ccc(C[N@H+]2C[C@@H]3C(=NNCCc4ccncc4)CCC[C@@H]3C2)cc1 ZINC000789094644 1134225113 /nfs/dbraw/zinc/22/51/13/1134225113.db2.gz UUEXLEAQHOYJSF-RTWAWAEBSA-N 1 1 348.494 3.502 20 30 EHEDMO Cc1[nH+]cn(CCCCc2noc(-c3sccc3CC#N)n2)c1C ZINC000867039889 1134255066 /nfs/dbraw/zinc/25/50/66/1134255066.db2.gz ODUAWXLUZVDIQZ-UHFFFAOYSA-N 1 1 341.440 3.700 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1O ZINC000789501411 1134285967 /nfs/dbraw/zinc/28/59/67/1134285967.db2.gz FGBBACBIGLQHQZ-RTBURBONSA-N 1 1 331.456 3.663 20 30 EHEDMO CCCCCCCOc1cccc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c1 ZINC000789770394 1134329674 /nfs/dbraw/zinc/32/96/74/1134329674.db2.gz WWFIUPNFQWMJAF-NRFANRHFSA-N 1 1 344.499 3.748 20 30 EHEDMO C#CC[N@H+]1CCC[C@@H](Nc2ncnc3sc(-c4ccccc4)cc32)C1 ZINC001187585729 1134350393 /nfs/dbraw/zinc/35/03/93/1134350393.db2.gz CWTXFDBZSZLVHN-MRXNPFEDSA-N 1 1 348.475 3.868 20 30 EHEDMO C#C[C@H](C)[N@H+](C)Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000775183488 1134488244 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CC1(C)C[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)[C@](C)(CO)C1 ZINC001170378800 1134766614 /nfs/dbraw/zinc/76/66/14/1134766614.db2.gz LQJGANNHDVPVSP-CKHPTIKVSA-N 1 1 326.484 3.873 20 30 EHEDMO C=C(C)COc1cc(CNC[C@H](C)[NH+]2CCCCC2)ccc1OC ZINC000747095128 1134830409 /nfs/dbraw/zinc/83/04/09/1134830409.db2.gz MTSLNOFHLSWTJK-KRWDZBQOSA-N 1 1 332.488 3.614 20 30 EHEDMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001191852896 1134926848 /nfs/dbraw/zinc/92/68/48/1134926848.db2.gz HMWSGPFDCHOCRS-GFCCVEGCSA-N 1 1 337.851 3.557 20 30 EHEDMO C=CC[N@@H+](CCc1ccco1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001192654005 1135040238 /nfs/dbraw/zinc/04/02/38/1135040238.db2.gz RWIIIVZARLJESA-SFHVURJKSA-N 1 1 344.842 3.769 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001192654005 1135040246 /nfs/dbraw/zinc/04/02/46/1135040246.db2.gz RWIIIVZARLJESA-SFHVURJKSA-N 1 1 344.842 3.769 20 30 EHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1c1nc(Cl)c(C#N)s1 ZINC000804531699 1135109382 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O[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001196773397 1135613196 /nfs/dbraw/zinc/61/31/96/1135613196.db2.gz PDPHYHBLCQUNHE-UXHICEINSA-N 1 1 325.839 3.890 20 30 EHEDMO O[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC001196773397 1135613197 /nfs/dbraw/zinc/61/31/97/1135613197.db2.gz PDPHYHBLCQUNHE-UXHICEINSA-N 1 1 325.839 3.890 20 30 EHEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001196770510 1135613416 /nfs/dbraw/zinc/61/34/16/1135613416.db2.gz DHNNLOHUYAPFIQ-PBHICJAKSA-N 1 1 348.874 3.679 20 30 EHEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001196770510 1135613422 /nfs/dbraw/zinc/61/34/22/1135613422.db2.gz DHNNLOHUYAPFIQ-PBHICJAKSA-N 1 1 348.874 3.679 20 30 EHEDMO CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001197177369 1135656928 /nfs/dbraw/zinc/65/69/28/1135656928.db2.gz OMDBZDGEMGJOPM-GOSISDBHSA-N 1 1 344.455 3.523 20 30 EHEDMO CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001197177369 1135656932 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EHEDMO C[C@H]1C(N=Nc2nccnc2C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000811649872 1136116984 /nfs/dbraw/zinc/11/69/84/1136116984.db2.gz AGOBFURCBSIPJO-HNNXBMFYSA-N 1 1 335.455 3.806 20 30 EHEDMO Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+]OC/C=C\Cl ZINC000811668859 1136120440 /nfs/dbraw/zinc/12/04/40/1136120440.db2.gz KOPLIVCDXZANKJ-IHCXJTTMSA-N 1 1 344.846 3.884 20 30 EHEDMO C=CCc1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(O)c(OC)c1 ZINC000811793177 1136141407 /nfs/dbraw/zinc/14/14/07/1136141407.db2.gz TVNBDEKIKXGYLV-YLJYHZDGSA-N 1 1 343.467 3.663 20 30 EHEDMO Cc1[nH+]ccn1-c1ncccc1CNc1nc2ccccc2cc1C#N ZINC000811826302 1136146240 /nfs/dbraw/zinc/14/62/40/1136146240.db2.gz VSHIGCKJNZQJJY-UHFFFAOYSA-N 1 1 340.390 3.608 20 30 EHEDMO N#C[C@H](OC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000776386970 1136173175 /nfs/dbraw/zinc/17/31/75/1136173175.db2.gz XVHDAOYXXSPSDK-PMACEKPBSA-N 1 1 340.467 3.914 20 30 EHEDMO N#CC1(c2ccc(C(=O)OC[C@H]3CC[N@H+]3Cc3ccccc3)cc2)CC1 ZINC000851467914 1136381884 /nfs/dbraw/zinc/38/18/84/1136381884.db2.gz GFBIKIOETVTQRX-HXUWFJFHSA-N 1 1 346.430 3.673 20 30 EHEDMO N#Cc1ccc(C[N@H+](CCOC(F)F)Cc2cccc(F)c2)cc1 ZINC000851825323 1136411292 /nfs/dbraw/zinc/41/12/92/1136411292.db2.gz YCXJMULNXUSDMG-UHFFFAOYSA-N 1 1 334.341 3.939 20 30 EHEDMO C=CCn1c(C)nn(C[N@H+]2CC[C@H](c3ccc(CC)cc3)C2)c1=S ZINC000814224669 1136425562 /nfs/dbraw/zinc/42/55/62/1136425562.db2.gz JWMCTDMGZZXPBM-SFHVURJKSA-N 1 1 342.512 3.918 20 30 EHEDMO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](c3ccc(CC)cc3)C2)c1=S ZINC000814224669 1136425566 /nfs/dbraw/zinc/42/55/66/1136425566.db2.gz JWMCTDMGZZXPBM-SFHVURJKSA-N 1 1 342.512 3.918 20 30 EHEDMO C#C[C@@](C)(CC)[NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000852100412 1136433240 /nfs/dbraw/zinc/43/32/40/1136433240.db2.gz HQNNGXNKURVUPU-IBGZPJMESA-N 1 1 337.448 3.955 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000852320342 1136448477 /nfs/dbraw/zinc/44/84/77/1136448477.db2.gz ZMZDEJDLAKUYDT-QGZVFWFLSA-N 1 1 335.492 3.649 20 30 EHEDMO C#CCC[NH+]1CCN(CCSc2cc(Cl)ccc2Cl)CC1 ZINC000776592559 1136454156 /nfs/dbraw/zinc/45/41/56/1136454156.db2.gz JLUGYSDMTCEMAT-UHFFFAOYSA-N 1 1 343.323 3.726 20 30 EHEDMO C=CC[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(C)(C)C ZINC000852554160 1136466058 /nfs/dbraw/zinc/46/60/58/1136466058.db2.gz DYRDYNHXZIAKCN-OAHLLOKOSA-N 1 1 334.423 3.510 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](OCCOC)C2)cc1Cl ZINC000338952012 1136479899 /nfs/dbraw/zinc/47/98/99/1136479899.db2.gz KVCWHYQGNUWPEB-MRXNPFEDSA-N 1 1 339.863 3.532 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](OCCOC)C2)cc1Cl ZINC000338952012 1136479900 /nfs/dbraw/zinc/47/99/00/1136479900.db2.gz KVCWHYQGNUWPEB-MRXNPFEDSA-N 1 1 339.863 3.532 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000814642046 1136488452 /nfs/dbraw/zinc/48/84/52/1136488452.db2.gz MKNKRTPKLNHXSE-PMACEKPBSA-N 1 1 334.419 3.652 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000814642046 1136488455 /nfs/dbraw/zinc/48/84/55/1136488455.db2.gz MKNKRTPKLNHXSE-PMACEKPBSA-N 1 1 334.419 3.652 20 30 EHEDMO CCC[N@@H+](C)CC(C)(C)NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000853044389 1136501572 /nfs/dbraw/zinc/50/15/72/1136501572.db2.gz IYEUWLQALWWRBN-UHFFFAOYSA-N 1 1 338.908 3.618 20 30 EHEDMO CCC(=[NH+]NCc1ccc(Br)cc1)c1cccc(N)c1 ZINC000814828880 1136512116 /nfs/dbraw/zinc/51/21/16/1136512116.db2.gz CNLUKJBODXMPMK-UHFFFAOYSA-N 1 1 332.245 3.935 20 30 EHEDMO Cc1ccc(N[NH+]=Cc2ccc(N3CCC(O)CC3)cc2)cc1F ZINC000853437542 1136531911 /nfs/dbraw/zinc/53/19/11/1136531911.db2.gz BXGZEHJZBJCPEA-UHFFFAOYSA-N 1 1 327.403 3.541 20 30 EHEDMO C=CCC(F)(F)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000815019597 1136538454 /nfs/dbraw/zinc/53/84/54/1136538454.db2.gz JZMSKTCSFZRKCT-HNNXBMFYSA-N 1 1 336.426 3.746 20 30 EHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccnc(Br)c1 ZINC000815028060 1136542661 /nfs/dbraw/zinc/54/26/61/1136542661.db2.gz PKVGQZCQTXINEU-UHFFFAOYSA-N 1 1 342.240 3.904 20 30 EHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccnc(Br)c1 ZINC000815028060 1136542664 /nfs/dbraw/zinc/54/26/64/1136542664.db2.gz PKVGQZCQTXINEU-UHFFFAOYSA-N 1 1 342.240 3.904 20 30 EHEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000815061132 1136545615 /nfs/dbraw/zinc/54/56/15/1136545615.db2.gz KDFJEPCDMAHUQW-HNNXBMFYSA-N 1 1 325.884 3.840 20 30 EHEDMO Cc1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)ccc1N(C)C ZINC000815078329 1136548562 /nfs/dbraw/zinc/54/85/62/1136548562.db2.gz WZFDRFQGUKLQLH-NRFANRHFSA-N 1 1 335.451 3.506 20 30 EHEDMO Cc1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)ccc1N(C)C ZINC000815078329 1136548564 /nfs/dbraw/zinc/54/85/64/1136548564.db2.gz WZFDRFQGUKLQLH-NRFANRHFSA-N 1 1 335.451 3.506 20 30 EHEDMO C=CCC(F)(F)C(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000815086655 1136549392 /nfs/dbraw/zinc/54/93/92/1136549392.db2.gz NDSUUURAITUXGF-NVXWUHKLSA-N 1 1 336.426 3.882 20 30 EHEDMO C=CCC(F)(F)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000815868938 1136644088 /nfs/dbraw/zinc/64/40/88/1136644088.db2.gz DLHFKRIEPXLZQC-NVXWUHKLSA-N 1 1 336.426 3.615 20 30 EHEDMO C#CC[N@@H+](Cc1nc2ccc(Br)cc2n1C)C1CCCC1 ZINC000776800942 1136683621 /nfs/dbraw/zinc/68/36/21/1136683621.db2.gz CUEVINGIFXUHJF-UHFFFAOYSA-N 1 1 346.272 3.714 20 30 EHEDMO C#CC[N@H+](Cc1nc2ccc(Br)cc2n1C)C1CCCC1 ZINC000776800942 1136683622 /nfs/dbraw/zinc/68/36/22/1136683622.db2.gz CUEVINGIFXUHJF-UHFFFAOYSA-N 1 1 346.272 3.714 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)c1ccc(C#N)cc1 ZINC000816452777 1136722943 /nfs/dbraw/zinc/72/29/43/1136722943.db2.gz FYLLHNDWHAKSNG-OXJNMPFZSA-N 1 1 334.419 3.626 20 30 EHEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000816656332 1136745358 /nfs/dbraw/zinc/74/53/58/1136745358.db2.gz OIJBHKDCQAHCTR-LJQANCHMSA-N 1 1 345.870 3.743 20 30 EHEDMO C=CCn1c(=S)n(C[NH+](CC2CC2)CC2CC2)nc1-c1ccco1 ZINC000115514113 1136903086 /nfs/dbraw/zinc/90/30/86/1136903086.db2.gz DYQRKLFYFPMKMK-UHFFFAOYSA-N 1 1 344.484 3.940 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)s1 ZINC000858016275 1136931789 /nfs/dbraw/zinc/93/17/89/1136931789.db2.gz KIPHIKUIGQLSOU-HNNXBMFYSA-N 1 1 325.437 3.545 20 30 EHEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858041971 1136934336 /nfs/dbraw/zinc/93/43/36/1136934336.db2.gz CZVGWBKEPWFCPN-SFHVURJKSA-N 1 1 337.398 3.623 20 30 EHEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858041971 1136934337 /nfs/dbraw/zinc/93/43/37/1136934337.db2.gz CZVGWBKEPWFCPN-SFHVURJKSA-N 1 1 337.398 3.623 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c1F ZINC000858046830 1136934993 /nfs/dbraw/zinc/93/49/93/1136934993.db2.gz FXOFBWXSUASEBP-SFHVURJKSA-N 1 1 337.398 3.623 20 30 EHEDMO N#Cc1cccc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c1F ZINC000858046830 1136934996 /nfs/dbraw/zinc/93/49/96/1136934996.db2.gz FXOFBWXSUASEBP-SFHVURJKSA-N 1 1 337.398 3.623 20 30 EHEDMO N#Cc1ccc(CC[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858050055 1136935631 /nfs/dbraw/zinc/93/56/31/1136935631.db2.gz CASCFUSVFHERPM-FQEVSTJZSA-N 1 1 333.435 3.526 20 30 EHEDMO C=C[C@@H]1C[C@@]1(Nc1ccc([NH+]2CCCCC2)cc1C)C(=O)OCC ZINC001170926968 1136941989 /nfs/dbraw/zinc/94/19/89/1136941989.db2.gz GCXCGFKVGUSLNK-UZLBHIALSA-N 1 1 328.456 3.905 20 30 EHEDMO C=CCOc1c(Cl)cc(C[NH2+]CC(=C)Br)cc1OC ZINC000858127611 1136942010 /nfs/dbraw/zinc/94/20/10/1136942010.db2.gz KKSMEVYGCHAKLE-UHFFFAOYSA-N 1 1 346.652 3.912 20 30 EHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCc3scnc32)c1 ZINC000858378085 1136962991 /nfs/dbraw/zinc/96/29/91/1136962991.db2.gz FEMALKVJKXBBEG-HOCLYGCPSA-N 1 1 327.453 3.991 20 30 EHEDMO CCCC[C@](C)(F)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000820114285 1136977659 /nfs/dbraw/zinc/97/76/59/1136977659.db2.gz MLFPOAGQMAZRMU-FQEVSTJZSA-N 1 1 345.462 3.511 20 30 EHEDMO CCCC[C@](C)(F)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000820114285 1136977661 /nfs/dbraw/zinc/97/76/61/1136977661.db2.gz MLFPOAGQMAZRMU-FQEVSTJZSA-N 1 1 345.462 3.511 20 30 EHEDMO N#CCc1cccc2c1CC[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C2 ZINC000860107364 1137044742 /nfs/dbraw/zinc/04/47/42/1137044742.db2.gz DUBJHTVDEIVNJE-IBGZPJMESA-N 1 1 344.817 3.637 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000822529730 1137062507 /nfs/dbraw/zinc/06/25/07/1137062507.db2.gz IBWOXEVJUWJGIO-OXJNMPFZSA-N 1 1 340.467 3.759 20 30 EHEDMO C[C@@H](c1noc([C@@H]([NH3+])CCCC#N)n1)c1ccc(Br)cc1 ZINC000822996938 1137082796 /nfs/dbraw/zinc/08/27/96/1137082796.db2.gz RUDUSPHAVRGETE-MFKMUULPSA-N 1 1 349.232 3.678 20 30 EHEDMO Cc1cc(-c2noc([C@@H]([NH3+])CCCC#N)n2)cc(C)c1Br ZINC000823083747 1137086429 /nfs/dbraw/zinc/08/64/29/1137086429.db2.gz ZWFFHNFGKJIKRJ-LBPRGKRZSA-N 1 1 349.232 3.810 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(Br)n1 ZINC000823616707 1137106805 /nfs/dbraw/zinc/10/68/05/1137106805.db2.gz BLTJQQVWSYHRTK-LBPRGKRZSA-N 1 1 330.229 3.909 20 30 EHEDMO [NH2+]=C(Nc1cc2c3c(c1)CCCN3CCC2)c1ccc2ccccc2n1 ZINC001171047352 1137126097 /nfs/dbraw/zinc/12/60/97/1137126097.db2.gz BJJPRXDAVFHQPC-UHFFFAOYSA-N 1 1 342.446 3.971 20 30 EHEDMO C=CC[N@@H+](Cc1cc2c(c(Br)c1)OCO2)C(C)(C)C ZINC001136847990 1137130837 /nfs/dbraw/zinc/13/08/37/1137130837.db2.gz QQHFHXUXPRIKPV-UHFFFAOYSA-N 1 1 326.234 3.964 20 30 EHEDMO C#CCN(C(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)C1CCCCC1 ZINC000824324939 1137132223 /nfs/dbraw/zinc/13/22/23/1137132223.db2.gz DZQBFVOXAGVJFN-UHFFFAOYSA-N 1 1 349.478 3.564 20 30 EHEDMO C#CCN(C(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)C1CCCCC1 ZINC000824324939 1137132224 /nfs/dbraw/zinc/13/22/24/1137132224.db2.gz DZQBFVOXAGVJFN-UHFFFAOYSA-N 1 1 349.478 3.564 20 30 EHEDMO C[C@H](C#N)C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccccc1 ZINC000862324027 1137138500 /nfs/dbraw/zinc/13/85/00/1137138500.db2.gz AAYFHCHSVAQTEA-NJAFHUGGSA-N 1 1 343.471 3.529 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000862443367 1137144954 /nfs/dbraw/zinc/14/49/54/1137144954.db2.gz OTOQHGUXNYOQIW-KRWDZBQOSA-N 1 1 336.435 3.514 20 30 EHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c[nH]c3cc(C)ccc13)C2 ZINC001136973395 1137161462 /nfs/dbraw/zinc/16/14/62/1137161462.db2.gz WVWKMVHKBMZLKG-GHTZIAJQSA-N 1 1 340.467 3.802 20 30 EHEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1c[nH]c3cccc(F)c13)C2 ZINC001136983439 1137163787 /nfs/dbraw/zinc/16/37/87/1137163787.db2.gz SDPINKCXDKFRPO-UZLBHIALSA-N 1 1 344.430 3.633 20 30 EHEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)[C@@H]1CCc2cc(Cl)ccc21 ZINC000844371433 1137213254 /nfs/dbraw/zinc/21/32/54/1137213254.db2.gz OGKRBDGZPALYFX-RTBURBONSA-N 1 1 326.827 3.864 20 30 EHEDMO CCCCCCC[N@@H+]1CCn2c(Cc3cccc(F)c3)nnc2C1 ZINC000844354415 1137214638 /nfs/dbraw/zinc/21/46/38/1137214638.db2.gz CWRGFYIBYUJIRU-UHFFFAOYSA-N 1 1 330.451 3.794 20 30 EHEDMO CCCCCCC[N@H+]1CCn2c(Cc3cccc(F)c3)nnc2C1 ZINC000844354415 1137214639 /nfs/dbraw/zinc/21/46/39/1137214639.db2.gz CWRGFYIBYUJIRU-UHFFFAOYSA-N 1 1 330.451 3.794 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000794670857 1137222820 /nfs/dbraw/zinc/22/28/20/1137222820.db2.gz COBFAPQUYZCNJX-SFHVURJKSA-N 1 1 331.485 3.509 20 30 EHEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000794656664 1137224356 /nfs/dbraw/zinc/22/43/56/1137224356.db2.gz ICHIWIDCTSXKOW-DOMZBBRYSA-N 1 1 334.345 3.652 20 30 EHEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000794656664 1137224358 /nfs/dbraw/zinc/22/43/58/1137224358.db2.gz ICHIWIDCTSXKOW-DOMZBBRYSA-N 1 1 334.345 3.652 20 30 EHEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000794656672 1137224498 /nfs/dbraw/zinc/22/44/98/1137224498.db2.gz ICHIWIDCTSXKOW-WFASDCNBSA-N 1 1 334.345 3.652 20 30 EHEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000794656672 1137224500 /nfs/dbraw/zinc/22/45/00/1137224500.db2.gz ICHIWIDCTSXKOW-WFASDCNBSA-N 1 1 334.345 3.652 20 30 EHEDMO C=C[C@H](C)ONC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000844508763 1137227797 /nfs/dbraw/zinc/22/77/97/1137227797.db2.gz JXIZBBVMDRLDNN-AWEZNQCLSA-N 1 1 328.416 3.682 20 30 EHEDMO C[NH+](C)[C@@H](CNC(=O)c1sccc1CC#N)c1ccccc1Cl ZINC000864539406 1137233776 /nfs/dbraw/zinc/23/37/76/1137233776.db2.gz HVDGANYFRBXAFW-HNNXBMFYSA-N 1 1 347.871 3.500 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@H+](Cc2cnn(CC)c2)C(C)C)c1O ZINC000844737075 1137251212 /nfs/dbraw/zinc/25/12/12/1137251212.db2.gz BLIGCGHLTOLGSV-UHFFFAOYSA-N 1 1 343.471 3.756 20 30 EHEDMO C[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000120715307 1137306357 /nfs/dbraw/zinc/30/63/57/1137306357.db2.gz XXFNGRRZCPDKBG-DNVCBOLYSA-N 1 1 342.464 3.851 20 30 EHEDMO C[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000120715307 1137306358 /nfs/dbraw/zinc/30/63/58/1137306358.db2.gz XXFNGRRZCPDKBG-DNVCBOLYSA-N 1 1 342.464 3.851 20 30 EHEDMO CN(CCC#N)c1ccc(C[NH2+][C@@H](CF)c2ccc(F)cc2)cc1 ZINC000865824086 1137314655 /nfs/dbraw/zinc/31/46/55/1137314655.db2.gz YEVFMVWIPORPKV-IBGZPJMESA-N 1 1 329.394 3.976 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@@H+](CC(C)(C)CCC#N)C2 ZINC000846003660 1137325041 /nfs/dbraw/zinc/32/50/41/1137325041.db2.gz IYNFYXDRMUUPIE-JXFKEZNVSA-N 1 1 349.519 3.943 20 30 EHEDMO C[C@H](CCc1cccc(F)c1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006911 1137325290 /nfs/dbraw/zinc/32/52/90/1137325290.db2.gz LHZQWRBPKPXDAZ-FOIQADDNSA-N 1 1 326.415 3.684 20 30 EHEDMO Cc1nc2ccc(C[N@@H+](C)C[C@H](O)c3cccc(C#N)c3)cc2s1 ZINC000846006709 1137325512 /nfs/dbraw/zinc/32/55/12/1137325512.db2.gz KNZMTFNIBZOFHS-SFHVURJKSA-N 1 1 337.448 3.642 20 30 EHEDMO CCOC(=O)[C@@]1(C)CCCC[N@H+]([C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171208361 1137328974 /nfs/dbraw/zinc/32/89/74/1137328974.db2.gz BFAPMXLCPFDVFH-JXFKEZNVSA-N 1 1 328.456 3.545 20 30 EHEDMO C[C@@H]([NH2+]Cc1cccnc1OC1CCCC1)c1cccc(C#N)c1O ZINC000866230908 1137336828 /nfs/dbraw/zinc/33/68/28/1137336828.db2.gz HYGVWEUOPHDATM-CQSZACIVSA-N 1 1 337.423 3.831 20 30 EHEDMO C[C@H]([NH2+][C@@H](C)[C@H](O)c1c(F)cccc1Cl)c1cccc(C#N)c1O ZINC000866302928 1137343689 /nfs/dbraw/zinc/34/36/89/1137343689.db2.gz MKSBQSVRARHSNZ-DINDLPBHSA-N 1 1 348.805 3.829 20 30 EHEDMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1[N+](=O)[O-] ZINC000866304013 1137343953 /nfs/dbraw/zinc/34/39/53/1137343953.db2.gz YTLYUDMUOGRNPB-STQMWFEESA-N 1 1 325.368 3.892 20 30 EHEDMO COC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccc(F)c(F)c1 ZINC000866310648 1137344560 /nfs/dbraw/zinc/34/45/60/1137344560.db2.gz HXQIOHZJWZVHQA-DIFFPNOSSA-N 1 1 332.350 3.580 20 30 EHEDMO C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1[O-] ZINC000866337607 1137347079 /nfs/dbraw/zinc/34/70/79/1137347079.db2.gz SRLOSTJJBMYUCU-ZWOKBUDYSA-N 1 1 349.478 3.825 20 30 EHEDMO CCCc1noc([C@@H]2CCC[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)n1 ZINC001171224200 1137349066 /nfs/dbraw/zinc/34/90/66/1137349066.db2.gz PUDFKCAKNQXNRA-MAUKXSAKSA-N 1 1 338.455 3.704 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001171229107 1137354244 /nfs/dbraw/zinc/35/42/44/1137354244.db2.gz KRJNIMPUWGWUSG-MEDUHNTESA-N 1 1 334.345 3.846 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001171229107 1137354245 /nfs/dbraw/zinc/35/42/45/1137354245.db2.gz KRJNIMPUWGWUSG-MEDUHNTESA-N 1 1 334.345 3.846 20 30 EHEDMO Cn1cc(C(F)F)c(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000866565864 1137365080 /nfs/dbraw/zinc/36/50/80/1137365080.db2.gz SYVURTKWKGLFCW-INIZCTEOSA-N 1 1 330.382 3.787 20 30 EHEDMO C#C[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000847032917 1137383727 /nfs/dbraw/zinc/38/37/27/1137383727.db2.gz ZBUADFMQSKLYNO-LBPRGKRZSA-N 1 1 335.329 3.601 20 30 EHEDMO C#C[C@H]1CCC[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000847032917 1137383728 /nfs/dbraw/zinc/38/37/28/1137383728.db2.gz ZBUADFMQSKLYNO-LBPRGKRZSA-N 1 1 335.329 3.601 20 30 EHEDMO CCCC[N@@H+](CCC#N)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171272143 1137387261 /nfs/dbraw/zinc/38/72/61/1137387261.db2.gz ODUGALGIIGHCRI-YOFSQIOKSA-N 1 1 339.483 3.838 20 30 EHEDMO C=CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)C1 ZINC001146481458 1137391322 /nfs/dbraw/zinc/39/13/22/1137391322.db2.gz AFKNHUSQJUMMHU-FXAWDEMLSA-N 1 1 344.474 3.995 20 30 EHEDMO C=CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001146481458 1137391324 /nfs/dbraw/zinc/39/13/24/1137391324.db2.gz AFKNHUSQJUMMHU-FXAWDEMLSA-N 1 1 344.474 3.995 20 30 EHEDMO Fc1cccc(N=NC2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000795008337 1137406096 /nfs/dbraw/zinc/40/60/96/1137406096.db2.gz FVTXFJKDMVHBLU-IAGOWNOFSA-N 1 1 338.430 3.921 20 30 EHEDMO N#CCCOCC[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000339082302 1137423315 /nfs/dbraw/zinc/42/33/15/1137423315.db2.gz GNLLZGAPYAYUFX-LLVKDONJSA-N 1 1 329.263 3.578 20 30 EHEDMO N#CCCOCC[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000339082302 1137423316 /nfs/dbraw/zinc/42/33/16/1137423316.db2.gz GNLLZGAPYAYUFX-LLVKDONJSA-N 1 1 329.263 3.578 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C3CCCC3)C2)cc1Cl ZINC001171331718 1137424363 /nfs/dbraw/zinc/42/43/63/1137424363.db2.gz KWRWAQVKBRDONN-OAHLLOKOSA-N 1 1 331.847 3.662 20 30 EHEDMO N#CC1CCC(C[N@H+]2CCOc3cccc(Br)c3C2)CC1 ZINC001171566906 1137498266 /nfs/dbraw/zinc/49/82/66/1137498266.db2.gz CERPCTXKYGTEEC-UHFFFAOYSA-N 1 1 349.272 3.973 20 30 EHEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@@H](C)CCc3ccc(C)cc3)C2)C1=O ZINC001171670905 1137503161 /nfs/dbraw/zinc/50/31/61/1137503161.db2.gz IDCLQIDIQLNZKP-SIKLNZKXSA-N 1 1 340.511 3.817 20 30 EHEDMO C=CC[N@H+](Cc1cc(Br)cc(F)c1F)[C@H](C)COC ZINC001171916749 1137518316 /nfs/dbraw/zinc/51/83/16/1137518316.db2.gz PBEHZMUUHRMJLL-SNVBAGLBSA-N 1 1 334.204 3.750 20 30 EHEDMO C=CC[N@@H+](Cc1cc(Br)cc(F)c1F)[C@H](C)COC ZINC001171916749 1137518317 /nfs/dbraw/zinc/51/83/17/1137518317.db2.gz PBEHZMUUHRMJLL-SNVBAGLBSA-N 1 1 334.204 3.750 20 30 EHEDMO C#CCCC1(CC[NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)N=N1 ZINC001171975857 1137525241 /nfs/dbraw/zinc/52/52/41/1137525241.db2.gz GTVANLZZRNPTDA-IBGZPJMESA-N 1 1 338.499 3.985 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CC(Oc2ccc(F)c(F)c2)C1 ZINC001172308281 1137545512 /nfs/dbraw/zinc/54/55/12/1137545512.db2.gz VWESICLMZIEHPG-ZDUSSCGKSA-N 1 1 328.362 3.531 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001172298900 1137549069 /nfs/dbraw/zinc/54/90/69/1137549069.db2.gz IEZHEOLZBREYAX-UTKZUKDTSA-N 1 1 325.500 3.733 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001172298900 1137549070 /nfs/dbraw/zinc/54/90/70/1137549070.db2.gz IEZHEOLZBREYAX-UTKZUKDTSA-N 1 1 325.500 3.733 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H](C)CCO[C@H](C)CC)CC2 ZINC001172328206 1137550556 /nfs/dbraw/zinc/55/05/56/1137550556.db2.gz DITZUZZVBUKYGE-NSHGMRRFSA-N 1 1 336.520 3.613 20 30 EHEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@H](C)CCO[C@H](C)CC)CCO2 ZINC001172341704 1137552387 /nfs/dbraw/zinc/55/23/87/1137552387.db2.gz XEPKEROKYZIGEX-YSTOQKLRSA-N 1 1 339.520 3.654 20 30 EHEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@@H](C)CCO[C@@H](C)CC)CCO2 ZINC001172341703 1137552517 /nfs/dbraw/zinc/55/25/17/1137552517.db2.gz XEPKEROKYZIGEX-VNTMZGSJSA-N 1 1 339.520 3.654 20 30 EHEDMO CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001172358159 1137554465 /nfs/dbraw/zinc/55/44/65/1137554465.db2.gz FTYAWXWVZQODTE-ZWOKBUDYSA-N 1 1 330.472 3.995 20 30 EHEDMO CC(C)[C@H]1[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC12CCCCCC2 ZINC000871990945 1137564230 /nfs/dbraw/zinc/56/42/30/1137564230.db2.gz LDTOJTKCWNADNM-RBUKOAKNSA-N 1 1 348.531 3.739 20 30 EHEDMO C[C@H](C#N)C[N@@H+](C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000876792099 1137661360 /nfs/dbraw/zinc/66/13/60/1137661360.db2.gz RRZOZLYACDVVOO-CVEARBPZSA-N 1 1 335.492 3.648 20 30 EHEDMO C[C@H](C#N)C[N@@H+](C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000876792101 1137661376 /nfs/dbraw/zinc/66/13/76/1137661376.db2.gz RRZOZLYACDVVOO-HZPDHXFCSA-N 1 1 335.492 3.648 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c1 ZINC000877183799 1137672496 /nfs/dbraw/zinc/67/24/96/1137672496.db2.gz IFQCLKUAGCKRLS-CQSZACIVSA-N 1 1 327.815 3.508 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@@H](COc3ccccc3)C2)c1 ZINC000877183799 1137672497 /nfs/dbraw/zinc/67/24/97/1137672497.db2.gz IFQCLKUAGCKRLS-CQSZACIVSA-N 1 1 327.815 3.508 20 30 EHEDMO CN(C)CC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc2ncccc12 ZINC000877523444 1137679509 /nfs/dbraw/zinc/67/95/09/1137679509.db2.gz ZGERYRSBHQLQCP-UHFFFAOYSA-N 1 1 344.462 3.670 20 30 EHEDMO CN(C)CC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2ncccc12 ZINC000877523444 1137679510 /nfs/dbraw/zinc/67/95/10/1137679510.db2.gz ZGERYRSBHQLQCP-UHFFFAOYSA-N 1 1 344.462 3.670 20 30 EHEDMO COc1ccc([C@@H]2C[N@H+](Cc3ccc(C4(C#N)CC4)cc3)CCO2)cc1 ZINC000877756373 1137688248 /nfs/dbraw/zinc/68/82/48/1137688248.db2.gz UOQSACUYIPYAMS-NRFANRHFSA-N 1 1 348.446 3.824 20 30 EHEDMO COc1ccc([C@@H]2C[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)CCO2)cc1 ZINC000877756373 1137688249 /nfs/dbraw/zinc/68/82/49/1137688249.db2.gz UOQSACUYIPYAMS-NRFANRHFSA-N 1 1 348.446 3.824 20 30 EHEDMO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H](C(C)(C)O)C2)cc1OC ZINC000877836742 1137692855 /nfs/dbraw/zinc/69/28/55/1137692855.db2.gz JBAZSUPEOXYADB-AWEZNQCLSA-N 1 1 339.863 3.506 20 30 EHEDMO C#CC1(F)CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000877980577 1137698305 /nfs/dbraw/zinc/69/83/05/1137698305.db2.gz UFPJELUSBOJUGO-UHFFFAOYSA-N 1 1 343.446 3.640 20 30 EHEDMO COCC[N@H+](Cc1cc(C(F)(F)F)co1)Cc1ccc(C#N)cc1 ZINC000878011664 1137699442 /nfs/dbraw/zinc/69/94/42/1137699442.db2.gz ZUGSYNCSIPVIAL-UHFFFAOYSA-N 1 1 338.329 3.819 20 30 EHEDMO COCC[N@@H+](Cc1cc(C(F)(F)F)co1)Cc1ccc(C#N)cc1 ZINC000878011664 1137699443 /nfs/dbraw/zinc/69/94/43/1137699443.db2.gz ZUGSYNCSIPVIAL-UHFFFAOYSA-N 1 1 338.329 3.819 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1ccc(C)s1)c1ccccc1 ZINC000878043766 1137700521 /nfs/dbraw/zinc/70/05/21/1137700521.db2.gz BYFDOSFSCMDQNW-LJQANCHMSA-N 1 1 326.465 3.929 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCCc2sccc2C1)c1ccccc1 ZINC000878086068 1137701707 /nfs/dbraw/zinc/70/17/07/1137701707.db2.gz YNTSDMFEEMIBSS-FQEVSTJZSA-N 1 1 338.476 3.937 20 30 EHEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)CC[C@](C#N)(C(C)=O)c2ccccc2)C1(C)C ZINC000878152070 1137704559 /nfs/dbraw/zinc/70/45/59/1137704559.db2.gz FTYRUPJPRBLERN-NRSPTQNISA-N 1 1 342.483 3.562 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C)c1ccccc1 ZINC000878535156 1137719346 /nfs/dbraw/zinc/71/93/46/1137719346.db2.gz WBJQBFREDXFGBZ-KBRIMQKVSA-N 1 1 338.373 3.700 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@@H+](C)CCc1ccccc1C)c1ccccc1 ZINC000878658933 1137723996 /nfs/dbraw/zinc/72/39/96/1137723996.db2.gz JCOSAZLCOIXHTF-JOCHJYFZSA-N 1 1 334.463 3.910 20 30 EHEDMO C=CCCC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000879022118 1137735538 /nfs/dbraw/zinc/73/55/38/1137735538.db2.gz GERRCNPTFCORNW-QUCCMNQESA-N 1 1 328.500 3.927 20 30 EHEDMO C[N@@H+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[C@@H]1C#N ZINC000879311793 1137743997 /nfs/dbraw/zinc/74/39/97/1137743997.db2.gz VPHPKGBWDNAXDA-GVDBMIGSSA-N 1 1 335.492 3.648 20 30 EHEDMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880275680 1137772720 /nfs/dbraw/zinc/77/27/20/1137772720.db2.gz 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ZINC000883207350 1137848636 /nfs/dbraw/zinc/84/86/36/1137848636.db2.gz KZOIMSHAWNVOAF-BHIFYINESA-N 1 1 342.527 3.531 20 30 EHEDMO C=CCNC(=O)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001202565862 1137876598 /nfs/dbraw/zinc/87/65/98/1137876598.db2.gz FIBJLZFDFNFHRJ-NRFANRHFSA-N 1 1 349.478 3.659 20 30 EHEDMO Cc1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000007844981 1137893154 /nfs/dbraw/zinc/89/31/54/1137893154.db2.gz QBXIODOQZMWWMH-UHFFFAOYSA-N 1 1 339.464 3.681 20 30 EHEDMO Cc1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000007844981 1137893155 /nfs/dbraw/zinc/89/31/55/1137893155.db2.gz QBXIODOQZMWWMH-UHFFFAOYSA-N 1 1 339.464 3.681 20 30 EHEDMO C=CCN(CC=C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000111882043 1137906019 /nfs/dbraw/zinc/90/60/19/1137906019.db2.gz GAGMJKRHCUATEC-IHWFROFDSA-N 1 1 339.483 3.566 20 30 EHEDMO CC[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000331569803 1137913005 /nfs/dbraw/zinc/91/30/05/1137913005.db2.gz ZGTYURRFIQEERX-ZDUSSCGKSA-N 1 1 331.485 3.702 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CC(C)(C)n1cc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)nn1 ZINC000191549852 1140471251 /nfs/dbraw/zinc/47/12/51/1140471251.db2.gz YEDNCJJKXRUZHI-UHFFFAOYSA-N 1 1 345.450 3.862 20 30 EHEDMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)[C@H](C)CO1 ZINC000266502617 1140695632 /nfs/dbraw/zinc/69/56/32/1140695632.db2.gz AZQAYFPLZCBCJM-DYESRHJHSA-N 1 1 336.435 3.859 20 30 EHEDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)[C@H](C)CO1 ZINC000266502617 1140695637 /nfs/dbraw/zinc/69/56/37/1140695637.db2.gz AZQAYFPLZCBCJM-DYESRHJHSA-N 1 1 336.435 3.859 20 30 EHEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC000268202622 1140902318 /nfs/dbraw/zinc/90/23/18/1140902318.db2.gz IFNGJFIIYRTRAZ-INIZCTEOSA-N 1 1 340.448 3.888 20 30 EHEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@H](O)c1ccc(C#N)cc1)CCC2 ZINC000268738361 1140979167 /nfs/dbraw/zinc/97/91/67/1140979167.db2.gz PEYUHGALRDLYEM-IRXDYDNUSA-N 1 1 341.480 3.620 20 30 EHEDMO CCCCCC#CC(=O)N1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001274439446 1140981269 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C[C@@H](CCC#N)C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000602472309 1032906447 /nfs/dbraw/zinc/90/64/47/1032906447.db2.gz DUBNDDOGLVKFFV-PZJWPPBQSA-N 1 1 325.500 3.914 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000602472309 1032906454 /nfs/dbraw/zinc/90/64/54/1032906454.db2.gz DUBNDDOGLVKFFV-PZJWPPBQSA-N 1 1 325.500 3.914 20 30 EHEDMO N#Cc1csc(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000610488703 1020569310 /nfs/dbraw/zinc/56/93/10/1020569310.db2.gz WSLJBFPSBLIUQQ-IBGZPJMESA-N 1 1 325.481 3.937 20 30 EHEDMO C[C@H](CCC#N)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000602483897 1032913251 /nfs/dbraw/zinc/91/32/51/1032913251.db2.gz JUCDDDSJBBZXEH-NRSPTQNISA-N 1 1 325.500 3.913 20 30 EHEDMO C[C@H](CCC#N)CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000602483897 1032913264 /nfs/dbraw/zinc/91/32/64/1032913264.db2.gz JUCDDDSJBBZXEH-NRSPTQNISA-N 1 1 325.500 3.913 20 30 EHEDMO C[C@H](CCC#N)CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000602483897 1032913274 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CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000176171134 1023751837 /nfs/dbraw/zinc/75/18/37/1023751837.db2.gz NWCNYKDHONAIOK-MRXNPFEDSA-N 1 1 341.455 3.550 20 30 EHEDMO C=C(C)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000181246192 1023870418 /nfs/dbraw/zinc/87/04/18/1023870418.db2.gz PQOLCDFXYCZQRL-ZDUSSCGKSA-N 1 1 331.485 3.581 20 30 EHEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)cc1C#N ZINC000610994366 1023999909 /nfs/dbraw/zinc/99/99/09/1023999909.db2.gz YKHJEWKIJWGKJD-FQEVSTJZSA-N 1 1 335.451 3.970 20 30 EHEDMO CC[C@](C)(O)C[N@@H+](CCOc1ccccc1C#N)Cc1ccccc1 ZINC000439278564 1024114502 /nfs/dbraw/zinc/11/45/02/1024114502.db2.gz UOYJOFOMLKKTNK-NRFANRHFSA-N 1 1 338.451 3.600 20 30 EHEDMO O=C(CC1(O)CCCC1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000329762811 1024182823 /nfs/dbraw/zinc/18/28/23/1024182823.db2.gz SYWJUNSKEDXFDC-SFHVURJKSA-N 1 1 330.472 3.693 20 30 EHEDMO Cc1nc(C)c(NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)s1 ZINC000329839106 1024217299 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C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](O)CC ZINC000114187222 1024512523 /nfs/dbraw/zinc/51/25/23/1024512523.db2.gz ILOLBMXLRPGNDQ-SJORKVTESA-N 1 1 348.512 3.529 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](O)CC ZINC000114187222 1024512533 /nfs/dbraw/zinc/51/25/33/1024512533.db2.gz ILOLBMXLRPGNDQ-SJORKVTESA-N 1 1 348.512 3.529 20 30 EHEDMO CC(C)[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000434993421 1024548628 /nfs/dbraw/zinc/54/86/28/1024548628.db2.gz YYASEMZNSAKPNR-SFHVURJKSA-N 1 1 337.471 3.727 20 30 EHEDMO C=CCSc1ccccc1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000548599688 1024630978 /nfs/dbraw/zinc/63/09/78/1024630978.db2.gz OYSBIIFHUCPDQL-UHFFFAOYSA-N 1 1 332.513 3.911 20 30 EHEDMO N#Cc1ccc(C[N@@H+](CC(=O)Nc2ccc3c(c2)CCC3)C2CC2)cc1 ZINC000346451037 1024744078 /nfs/dbraw/zinc/74/40/78/1024744078.db2.gz JXKZYZYLVKGBRW-UHFFFAOYSA-N 1 1 345.446 3.650 20 30 EHEDMO N#Cc1ccc(C[N@H+](CC(=O)Nc2ccc3c(c2)CCC3)C2CC2)cc1 ZINC000346451037 1024744091 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EHEDMO C[N@@H+](CCCOCc1ccccc1)CCCC1(C#N)CCOCC1 ZINC000281396020 1024999280 /nfs/dbraw/zinc/99/92/80/1024999280.db2.gz OOEVTSQTWKIVCL-UHFFFAOYSA-N 1 1 330.472 3.626 20 30 EHEDMO CC1(C)CCCc2cc(C#N)c(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)nc21 ZINC000428112451 1024999707 /nfs/dbraw/zinc/99/97/07/1024999707.db2.gz LQYQGCBSBORGDC-OAHLLOKOSA-N 1 1 335.455 3.674 20 30 EHEDMO C[N@H+]1CCC[C@H](CNc2nccc(C#N)c2Cl)[C@@H]1c1cccs1 ZINC000342343918 1025006852 /nfs/dbraw/zinc/00/68/52/1025006852.db2.gz BSGONGVMJOLJSH-CZUORRHYSA-N 1 1 346.887 3.585 20 30 EHEDMO C=CC[C@H](CC)NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544365974 1025085177 /nfs/dbraw/zinc/08/51/77/1025085177.db2.gz SNAVXZVMDBHADC-WDSOQIARSA-N 1 1 329.488 3.551 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(F)cc2c1OCOC2 ZINC000054272342 1025205065 /nfs/dbraw/zinc/20/50/65/1025205065.db2.gz GZYWBTCWOMHOFD-UHFFFAOYSA-N 1 1 343.398 3.889 20 30 EHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(F)cc2c1OCOC2 ZINC000054272342 1025205078 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CCCCCCC[N@@H+]1CCc2ncc(CN3CCCCC3)n2CC1 ZINC001201777440 1136065373 /nfs/dbraw/zinc/06/53/73/1136065373.db2.gz WXGLUINTGURQMC-UHFFFAOYSA-N 1 1 332.536 3.698 20 30 EHEDMO CCCCCCCCC[N@H+]1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1 ZINC001201847682 1136070305 /nfs/dbraw/zinc/07/03/05/1136070305.db2.gz ZBLAVFRCNDZFOZ-HXUWFJFHSA-N 1 1 344.503 3.656 20 30 EHEDMO C=C(C)CN1CCC([NH2+]Cc2cccc(OC)c2OC(C)C)CC1 ZINC000106246213 1136071048 /nfs/dbraw/zinc/07/10/48/1136071048.db2.gz ARNPHAZVDMVAJB-UHFFFAOYSA-N 1 1 332.488 3.613 20 30 EHEDMO C#C[C@H]([NH2+]Cc1ccc(C(=O)NC2CC2)cc1)c1ccc(Cl)cc1 ZINC000811516302 1136104535 /nfs/dbraw/zinc/10/45/35/1136104535.db2.gz KDGNLWYQTAIMSW-IBGZPJMESA-N 1 1 338.838 3.696 20 30 EHEDMO C[C@@H]1C(N=Nc2nncc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000811631129 1136111655 /nfs/dbraw/zinc/11/16/55/1136111655.db2.gz LTAXQIAMPLCCCF-OAHLLOKOSA-N 1 1 331.423 3.692 20 30 EHEDMO C=CCOC(=O)N1CCC2(CCC[N@H+](CCCC(F)(F)F)C2)CC1 ZINC001202367612 1136134613 /nfs/dbraw/zinc/13/46/13/1136134613.db2.gz AVEQMMCONUEDHF-UHFFFAOYSA-N 1 1 348.409 3.830 20 30 EHEDMO C[C@@H](CC#N)C(=O)Oc1cccc(C[N@H+]2CCc3ccccc3C2)c1 ZINC000851103932 1136337290 /nfs/dbraw/zinc/33/72/90/1136337290.db2.gz BUKPBYWPBZENQE-INIZCTEOSA-N 1 1 334.419 3.700 20 30 EHEDMO C#C[C@](C)(CC)[NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000852102480 1136433511 /nfs/dbraw/zinc/43/35/11/1136433511.db2.gz YEKKHNHZAXYVMC-QGZVFWFLSA-N 1 1 327.409 3.548 20 30 EHEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852337664 1136450414 /nfs/dbraw/zinc/45/04/14/1136450414.db2.gz YEOLQZSLJQEVGE-BDAKNGLRSA-N 1 1 343.490 3.567 20 30 EHEDMO COCC[N@H+](CCF)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000852480744 1136459791 /nfs/dbraw/zinc/45/97/91/1136459791.db2.gz BEJLJWSSXGOMQG-UHFFFAOYSA-N 1 1 340.442 3.804 20 30 EHEDMO COCC[N@@H+](CCF)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000852480744 1136459792 /nfs/dbraw/zinc/45/97/92/1136459792.db2.gz BEJLJWSSXGOMQG-UHFFFAOYSA-N 1 1 340.442 3.804 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(Cl)c(F)c1)C2 ZINC001137651634 1136512470 /nfs/dbraw/zinc/51/24/70/1136512470.db2.gz CGLDRRKXYJRMHZ-YJBOKZPZSA-N 1 1 339.838 3.805 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(Cl)c(F)c1)C2 ZINC001137651634 1136512472 /nfs/dbraw/zinc/51/24/72/1136512472.db2.gz CGLDRRKXYJRMHZ-YJBOKZPZSA-N 1 1 339.838 3.805 20 30 EHEDMO CCCCCCCCC[N@H+]1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854126185 1136589751 /nfs/dbraw/zinc/58/97/51/1136589751.db2.gz JUNWCNNPBVWXCI-UHFFFAOYSA-N 1 1 341.503 3.986 20 30 EHEDMO N#CCc1ccc(COC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cc1 ZINC000815446043 1136596437 /nfs/dbraw/zinc/59/64/37/1136596437.db2.gz NLKJLBPVHUYQFE-LJQANCHMSA-N 1 1 326.440 3.593 20 30 EHEDMO C#CC[N@@H+](C)CCCN[C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000815652911 1136626798 /nfs/dbraw/zinc/62/67/98/1136626798.db2.gz ZZKUGTRONXYQPO-GFCCVEGCSA-N 1 1 330.806 3.547 20 30 EHEDMO C#CC[N@H+](C)CCCN[C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000815652911 1136626799 /nfs/dbraw/zinc/62/67/99/1136626799.db2.gz ZZKUGTRONXYQPO-GFCCVEGCSA-N 1 1 330.806 3.547 20 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C[N@H+]1CCC[C@H](c2cccc(C(=O)N3CCc4ccc(C#N)cc43)c2)C1 ZINC000857164550 1136849169 /nfs/dbraw/zinc/84/91/69/1136849169.db2.gz KIVRINPMDSDLOE-FQEVSTJZSA-N 1 1 345.446 3.570 20 30 EHEDMO C[N@H+]1CCC[C@H](c2cccc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)c2)C1 ZINC000857194446 1136852643 /nfs/dbraw/zinc/85/26/43/1136852643.db2.gz GZBKLHKREVLRCV-OALUTQOASA-N 1 1 339.483 3.650 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)s1 ZINC000858011349 1136929898 /nfs/dbraw/zinc/92/98/98/1136929898.db2.gz UDQSWXTVPPHOES-INIZCTEOSA-N 1 1 339.464 3.936 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858011711 1136930111 /nfs/dbraw/zinc/93/01/11/1136930111.db2.gz XXEHSBLQSQFMMB-FQEVSTJZSA-N 1 1 333.435 3.874 20 30 EHEDMO C=CCC1(C(=O)O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000820577713 1136998038 /nfs/dbraw/zinc/99/80/38/1136998038.db2.gz JDMOMJJCESQNNU-LJQANCHMSA-N 1 1 343.467 3.567 20 30 EHEDMO C=CC[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000859446158 1137015377 /nfs/dbraw/zinc/01/53/77/1137015377.db2.gz VPAYZZOLBYNYAB-ABAIWWIYSA-N 1 1 328.225 3.520 20 30 EHEDMO N#CCCC[C@@H]([NH3+])c1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC000823179832 1137088633 /nfs/dbraw/zinc/08/86/33/1137088633.db2.gz YFLMDTXUDNWOMW-NEPJUHHUSA-N 1 1 342.296 3.841 20 30 EHEDMO C[N@H+](Cc1csc(C(F)(F)F)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000862401517 1137142795 /nfs/dbraw/zinc/14/27/95/1137142795.db2.gz QDQBSVNQBTWKST-CQSZACIVSA-N 1 1 340.370 3.804 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000862445644 1137145373 /nfs/dbraw/zinc/14/53/73/1137145373.db2.gz YSMLHBXQOOQANT-CYBMUJFWSA-N 1 1 344.256 3.684 20 30 EHEDMO COc1cc(Cl)cc(C[N@H+]2CCc3c(CC#N)cccc3C2)c1O ZINC000862542745 1137149423 /nfs/dbraw/zinc/14/94/23/1137149423.db2.gz ZCTFPRZISOBPTM-UHFFFAOYSA-N 1 1 342.826 3.679 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1O ZINC000863275124 1137179199 /nfs/dbraw/zinc/17/91/99/1137179199.db2.gz PIKXMRZZMHLIHO-BETUJISGSA-N 1 1 325.399 3.852 20 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/nfs/dbraw/zinc/21/75/00/1137217500.db2.gz XIMIVNYHYDQWCD-JKSUJKDBSA-N 1 1 337.508 3.942 20 30 EHEDMO C=CCc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c(O)c(OC)c1 ZINC000794667276 1137222477 /nfs/dbraw/zinc/22/24/77/1137222477.db2.gz ZVHGVHCIMMIBEO-RISCZKNCSA-N 1 1 329.362 3.902 20 30 EHEDMO C=C(Br)C[NH+]1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC000844443508 1137224201 /nfs/dbraw/zinc/22/42/01/1137224201.db2.gz XRSYQTVPYLIZCQ-UHFFFAOYSA-N 1 1 347.297 3.522 20 30 EHEDMO N#Cc1cc2ccccc2nc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000772904999 1137229615 /nfs/dbraw/zinc/22/96/15/1137229615.db2.gz SORLJMFUFQMMNB-JXFKEZNVSA-N 1 1 332.451 3.560 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2c3c(nn2C)CCCC3)cc1 ZINC000865220166 1137268974 /nfs/dbraw/zinc/26/89/74/1137268974.db2.gz FCCGPNLJVJUTRZ-VAWYXSNFSA-N 1 1 346.434 3.689 20 30 EHEDMO N#Cc1cc2[nH]ccc2c(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c1 ZINC001171182811 1137293505 /nfs/dbraw/zinc/29/35/05/1137293505.db2.gz TZBDSYWRQRQVNW-UHFFFAOYSA-N 1 1 326.359 3.935 20 30 EHEDMO C#Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001144576603 1137311820 /nfs/dbraw/zinc/31/18/20/1137311820.db2.gz OZZRYAOSADOQMD-IBGZPJMESA-N 1 1 342.483 3.747 20 30 EHEDMO C[C@@H](CCc1cccc(F)c1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846006914 1137325331 /nfs/dbraw/zinc/32/53/31/1137325331.db2.gz LHZQWRBPKPXDAZ-YWZLYKJASA-N 1 1 326.415 3.684 20 30 EHEDMO C[N@H+](Cc1ccc(C(F)(F)F)s1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006214 1137325521 /nfs/dbraw/zinc/32/55/21/1137325521.db2.gz HKRAGSKSLKNHHO-CQSZACIVSA-N 1 1 340.370 3.804 20 30 EHEDMO CCn1cc(C[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C(C)C)cn1 ZINC000846056286 1137327490 /nfs/dbraw/zinc/32/74/90/1137327490.db2.gz SPAYRIKHNWAELM-INIZCTEOSA-N 1 1 326.444 3.604 20 30 EHEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cccc3cc[nH]c31)C2 ZINC001144712004 1137333139 /nfs/dbraw/zinc/33/31/39/1137333139.db2.gz GXXFXVWPKYNORP-FPOVZHCZSA-N 1 1 340.467 3.742 20 30 EHEDMO Cc1noc(C[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)c2ccccc2)n1 ZINC000866346494 1137347696 /nfs/dbraw/zinc/34/76/96/1137347696.db2.gz AFSKZSGDOCYLSA-SCLBCKFNSA-N 1 1 348.406 3.590 20 30 EHEDMO COC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccc(Cl)cc1 ZINC000866348382 1137348028 /nfs/dbraw/zinc/34/80/28/1137348028.db2.gz ADOGCUDEJZCNQH-PXAZEXFGSA-N 1 1 330.815 3.956 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC001171222041 1137348152 /nfs/dbraw/zinc/34/81/52/1137348152.db2.gz ZWJKFXCPTHOKET-QAPCUYQASA-N 1 1 328.456 3.685 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC001171222041 1137348155 /nfs/dbraw/zinc/34/81/55/1137348155.db2.gz ZWJKFXCPTHOKET-QAPCUYQASA-N 1 1 328.456 3.685 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC001171222040 1137348198 /nfs/dbraw/zinc/34/81/98/1137348198.db2.gz ZWJKFXCPTHOKET-MAUKXSAKSA-N 1 1 328.456 3.685 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC001171222040 1137348199 /nfs/dbraw/zinc/34/81/99/1137348199.db2.gz ZWJKFXCPTHOKET-MAUKXSAKSA-N 1 1 328.456 3.685 20 30 EHEDMO Cc1ccnc(O[C@H]2CCC[N@H+]([C@H](C)Cc3cccc(C#N)c3)C2)c1 ZINC001171232216 1137355736 /nfs/dbraw/zinc/35/57/36/1137355736.db2.gz QLHNPXOMPCZWGT-XLIONFOSSA-N 1 1 335.451 3.736 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)N1CC[N@H+](C2CCCCC2)[C@@H](C)C1 ZINC001171234333 1137356238 /nfs/dbraw/zinc/35/62/38/1137356238.db2.gz PCOKCTYTLLSUGI-MSOLQXFVSA-N 1 1 325.500 3.828 20 30 EHEDMO N#CCCCC[C@@H]([NH3+])c1nc(Cc2cccc(Br)c2)no1 ZINC000846769790 1137366508 /nfs/dbraw/zinc/36/65/08/1137366508.db2.gz KBUZMNHMUQNBJC-CYBMUJFWSA-N 1 1 349.232 3.507 20 30 EHEDMO C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000866618312 1137370285 /nfs/dbraw/zinc/37/02/85/1137370285.db2.gz YOOIOKSXMHJJAE-LXBDKUERSA-N 1 1 345.490 3.526 20 30 EHEDMO C[NH+](C)Cc1ccc(NC(=O)c2sccc2CC#N)cc1Cl ZINC000867943708 1137390653 /nfs/dbraw/zinc/39/06/53/1137390653.db2.gz DFMMPFNGWXUDCR-UHFFFAOYSA-N 1 1 333.844 3.781 20 30 EHEDMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)CCOCCC#N ZINC000339091013 1137448474 /nfs/dbraw/zinc/44/84/74/1137448474.db2.gz PZUQPZSRBSOWQC-OAHLLOKOSA-N 1 1 339.277 3.632 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)Cc1c(C)nn(-c2ccccn2)c1C ZINC000282780235 1137450341 /nfs/dbraw/zinc/45/03/41/1137450341.db2.gz KRIRSUIGXQLMJM-UHFFFAOYSA-N 1 1 336.439 3.708 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCCC2(CCC2)C1 ZINC000348185428 1137451656 /nfs/dbraw/zinc/45/16/56/1137451656.db2.gz YKUWXDLXRVFFNL-ZDUSSCGKSA-N 1 1 331.847 3.805 20 30 EHEDMO C#CCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000773078152 1137463703 /nfs/dbraw/zinc/46/37/03/1137463703.db2.gz VFEPCLQUQXJLOH-MOPGFXCFSA-N 1 1 328.500 3.717 20 30 EHEDMO C#CCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000773078152 1137463704 /nfs/dbraw/zinc/46/37/04/1137463704.db2.gz VFEPCLQUQXJLOH-MOPGFXCFSA-N 1 1 328.500 3.717 20 30 EHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CCc3c(F)cccc3C1)C2 ZINC001171434546 1137481684 /nfs/dbraw/zinc/48/16/84/1137481684.db2.gz TZWJPUKSBJGMAI-BBTUJRGHSA-N 1 1 345.458 3.509 20 30 EHEDMO CCC[N@@H+](CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171857286 1137516091 /nfs/dbraw/zinc/51/60/91/1137516091.db2.gz CQOHJMNUKGXMNT-MRXNPFEDSA-N 1 1 335.492 3.934 20 30 EHEDMO CCC1(CC)CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC001171955051 1137518684 /nfs/dbraw/zinc/51/86/84/1137518684.db2.gz WQFBOEMBSWMHPB-CQSZACIVSA-N 1 1 331.460 3.997 20 30 EHEDMO CCC1(CC)CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC001171955051 1137518685 /nfs/dbraw/zinc/51/86/85/1137518685.db2.gz WQFBOEMBSWMHPB-CQSZACIVSA-N 1 1 331.460 3.997 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001172305410 1137545290 /nfs/dbraw/zinc/54/52/90/1137545290.db2.gz DJBCVQHYJCUBAI-KBXCAEBGSA-N 1 1 342.389 3.921 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCCCNC(=O)OC(C)(C)C ZINC001172310837 1137545905 /nfs/dbraw/zinc/54/59/05/1137545905.db2.gz JXWWZQIYCJIMGJ-MRXNPFEDSA-N 1 1 345.487 3.726 20 30 EHEDMO CCCCCCC[C@H](CC)[NH2+][C@@H](CCC(N)=O)C(=O)OC(C)(C)C ZINC001172350160 1137553303 /nfs/dbraw/zinc/55/33/03/1137553303.db2.gz KKKIZUKXOJDXMA-HOTGVXAUSA-N 1 1 342.524 3.691 20 30 EHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@H]2OCC[C@@H](C(=O)NC)[C@@H]2C1 ZINC001172357645 1137554264 /nfs/dbraw/zinc/55/42/64/1137554264.db2.gz LGVFGILBZXBROI-ZSYWTGECSA-N 1 1 338.536 3.599 20 30 EHEDMO CCCCCCC[C@@H](CC)[NH2+][C@@H](CCc1cn(C)cn1)C(=O)OC ZINC001172355344 1137554289 /nfs/dbraw/zinc/55/42/89/1137554289.db2.gz AYUIMFUURSEGRZ-AEFFLSMTSA-N 1 1 337.508 3.623 20 30 EHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(Cc2ccc(Br)s2)no1 ZINC000872179164 1137575451 /nfs/dbraw/zinc/57/54/51/1137575451.db2.gz YLNSIXCELRRHIR-MRVPVSSYSA-N 1 1 348.653 3.627 20 30 EHEDMO COCc1ccccc1/C=C(/C)C=[NH+]n1c(SC)nnc1SC ZINC000872417477 1137579848 /nfs/dbraw/zinc/57/98/48/1137579848.db2.gz CORSDPNGEOUKSJ-JDYMHBPESA-N 1 1 348.497 3.806 20 30 EHEDMO C#CC[N@@H+](Cc1ccccc1-n1cccn1)[C@@H]1CCc2ccccc21 ZINC001137099587 1137642114 /nfs/dbraw/zinc/64/21/14/1137642114.db2.gz VDGBCYHGCJELHE-JOCHJYFZSA-N 1 1 327.431 3.995 20 30 EHEDMO C#CCCCCCC[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000876775883 1137661071 /nfs/dbraw/zinc/66/10/71/1137661071.db2.gz CCFCUWFWXSUKIY-UHFFFAOYSA-N 1 1 326.440 3.585 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)n1 ZINC000876804983 1137661897 /nfs/dbraw/zinc/66/18/97/1137661897.db2.gz WCMYMLCFZBGVOL-ZWKOTPCHSA-N 1 1 341.480 3.883 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)n1 ZINC000876804799 1137662013 /nfs/dbraw/zinc/66/20/13/1137662013.db2.gz UFOUVQSHBKUBCQ-SFTDATJTSA-N 1 1 335.451 3.822 20 30 EHEDMO CC[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc2c(c1)OCCO2 ZINC000876957705 1137666279 /nfs/dbraw/zinc/66/62/79/1137666279.db2.gz ZWCZLGZBWNSTEW-HNNXBMFYSA-N 1 1 343.814 3.619 20 30 EHEDMO C=C(Br)CN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877020096 1137667754 /nfs/dbraw/zinc/66/77/54/1137667754.db2.gz KPHJNRDVWUPYHT-WBVHZDCISA-N 1 1 335.289 3.853 20 30 EHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877020107 1137667782 /nfs/dbraw/zinc/66/77/82/1137667782.db2.gz KXNVPPZHWOALKQ-KSSFIOAISA-N 1 1 340.858 3.532 20 30 EHEDMO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877020107 1137667783 /nfs/dbraw/zinc/66/77/83/1137667783.db2.gz KXNVPPZHWOALKQ-KSSFIOAISA-N 1 1 340.858 3.532 20 30 EHEDMO COc1ccc([C@H]2CC[N@H+](Cc3cc(C#N)cnc3Cl)C2)cc1F ZINC000877659719 1137684517 /nfs/dbraw/zinc/68/45/17/1137684517.db2.gz ALAUYWQFXYZACH-AWEZNQCLSA-N 1 1 345.805 3.744 20 30 EHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3cc(C#N)cnc3Cl)C2)cc1F ZINC000877659719 1137684518 /nfs/dbraw/zinc/68/45/18/1137684518.db2.gz ALAUYWQFXYZACH-AWEZNQCLSA-N 1 1 345.805 3.744 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC[C@H](C(F)(F)F)O1 ZINC000877822607 1137691990 /nfs/dbraw/zinc/69/19/90/1137691990.db2.gz ROCPIXQYVZUWAJ-XJKSGUPXSA-N 1 1 338.373 3.783 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000877901140 1137694693 /nfs/dbraw/zinc/69/46/93/1137694693.db2.gz HSKLKRRNXHARRB-IRXDYDNUSA-N 1 1 338.373 3.701 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000877901140 1137694694 /nfs/dbraw/zinc/69/46/94/1137694694.db2.gz HSKLKRRNXHARRB-IRXDYDNUSA-N 1 1 338.373 3.701 20 30 EHEDMO CC[N@@H+](CCc1ccccc1)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000877970479 1137697522 /nfs/dbraw/zinc/69/75/22/1137697522.db2.gz PNOBUJXFKVNRMK-QFIPXVFZSA-N 1 1 334.463 3.992 20 30 EHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000878001893 1137699102 /nfs/dbraw/zinc/69/91/02/1137699102.db2.gz GKLJMPRYJGDXHF-FQEVSTJZSA-N 1 1 340.467 3.522 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000878176030 1137705988 /nfs/dbraw/zinc/70/59/88/1137705988.db2.gz BEDCCZYUWZYQAF-YADHBBJMSA-N 1 1 332.447 3.744 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCc2cccc(C)c2C1)c1ccccc1 ZINC000878511282 1137718313 /nfs/dbraw/zinc/71/83/13/1137718313.db2.gz CARSDZPRUUZPOM-JOCHJYFZSA-N 1 1 332.447 3.794 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCSC2(CCC2)CC1)c1ccccc1 ZINC000878708672 1137725824 /nfs/dbraw/zinc/72/58/24/1137725824.db2.gz VTJUYVZWYDMLCW-FQEVSTJZSA-N 1 1 342.508 3.789 20 30 EHEDMO C=C(Br)C[NH+]1CCC(c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000878862670 1137730326 /nfs/dbraw/zinc/73/03/26/1137730326.db2.gz JQJUBRSKRHKOQL-UHFFFAOYSA-N 1 1 347.260 3.560 20 30 EHEDMO CC(C)C[N@H+](Cc1ccc(C#N)s1)C[C@@H](O)c1ccc(F)cc1 ZINC000127484737 1137737048 /nfs/dbraw/zinc/73/70/48/1137737048.db2.gz ZZSDKOPDOSXVJH-GOSISDBHSA-N 1 1 332.444 3.950 20 30 EHEDMO C[N@@H+](CCCc1nc(-c2ccccc2)no1)CCc1cccc(C#N)c1 ZINC000879435256 1137747652 /nfs/dbraw/zinc/74/76/52/1137747652.db2.gz XSKKXNCYVDTJNJ-UHFFFAOYSA-N 1 1 346.434 3.715 20 30 EHEDMO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879434753 1137747660 /nfs/dbraw/zinc/74/76/60/1137747660.db2.gz NIZUMKGVWZXDAK-CYBMUJFWSA-N 1 1 338.436 3.905 20 30 EHEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](c3nccs3)C2)c1 ZINC000880319958 1137775124 /nfs/dbraw/zinc/77/51/24/1137775124.db2.gz BQNAIQFCHUQGOO-LBPRGKRZSA-N 1 1 348.269 3.767 20 30 EHEDMO CN(CCC#N)c1ccc(C[NH2+]Cc2ccn(C3CCCC3)n2)cc1 ZINC000128998154 1137806850 /nfs/dbraw/zinc/80/68/50/1137806850.db2.gz PFUGNJWWPYINGO-UHFFFAOYSA-N 1 1 337.471 3.638 20 30 EHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Br)ccc1O ZINC000130741585 1137841488 /nfs/dbraw/zinc/84/14/88/1137841488.db2.gz NYBJDWCWTCRWHN-UHFFFAOYSA-N 1 1 331.213 3.658 20 30 EHEDMO C=CCC[C@H](Cc1ccccc1)[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000883191263 1137847929 /nfs/dbraw/zinc/84/79/29/1137847929.db2.gz XYXGZYFYMQFTDG-RBBKRZOGSA-N 1 1 342.527 3.654 20 30 EHEDMO C=CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000105272579 1137880611 /nfs/dbraw/zinc/88/06/11/1137880611.db2.gz AGOKJLNOPVRILG-QGZVFWFLSA-N 1 1 347.478 3.644 20 30 EHEDMO C=CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000105275369 1137880645 /nfs/dbraw/zinc/88/06/45/1137880645.db2.gz FLNDYIPBKKMTMC-LJQANCHMSA-N 1 1 329.488 3.505 20 30 EHEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)CCC(=O)Nc2ccccc2C#N)s1 ZINC000106875019 1137884784 /nfs/dbraw/zinc/88/47/84/1137884784.db2.gz ACGYQRYCCGMEQY-CYBMUJFWSA-N 1 1 342.468 3.653 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000108355769 1137889340 /nfs/dbraw/zinc/88/93/40/1137889340.db2.gz OFKQSATZNDLCAM-XHSDSOJGSA-N 1 1 345.512 3.997 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000108355769 1137889341 /nfs/dbraw/zinc/88/93/41/1137889341.db2.gz OFKQSATZNDLCAM-XHSDSOJGSA-N 1 1 345.512 3.997 20 30 EHEDMO CC(C)(C)OC(=O)N=c1[nH]cc(C[NH2+]Cc2ccc(C#N)cc2)s1 ZINC000800220988 1137903062 /nfs/dbraw/zinc/90/30/62/1137903062.db2.gz FTFCUXRAELSGCG-UHFFFAOYSA-N 1 1 344.440 3.652 20 30 EHEDMO CSc1ccccc1C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000348303345 1137923590 /nfs/dbraw/zinc/92/35/90/1137923590.db2.gz DLUAOMQJMASALG-HNNXBMFYSA-N 1 1 345.512 3.571 20 30 EHEDMO CSc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000348303345 1137923591 /nfs/dbraw/zinc/92/35/91/1137923591.db2.gz DLUAOMQJMASALG-HNNXBMFYSA-N 1 1 345.512 3.571 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000118396535 1137933619 /nfs/dbraw/zinc/93/36/19/1137933619.db2.gz KFBJTVCESCFKDT-KRWDZBQOSA-N 1 1 349.434 3.826 20 30 EHEDMO C[N@H+](Cc1ccc(C#N)o1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000119060981 1137937611 /nfs/dbraw/zinc/93/76/11/1137937611.db2.gz IKFUVJMUCRYFAZ-JKSUJKDBSA-N 1 1 337.206 3.548 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)o1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000119060981 1137937612 /nfs/dbraw/zinc/93/76/12/1137937612.db2.gz IKFUVJMUCRYFAZ-JKSUJKDBSA-N 1 1 337.206 3.548 20 30 EHEDMO C[C@H](c1cccs1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000119851669 1137944937 /nfs/dbraw/zinc/94/49/37/1137944937.db2.gz ZASFCVXKHHJRKE-LLVKDONJSA-N 1 1 333.844 3.905 20 30 EHEDMO C[C@H](c1cccs1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000119851669 1137944938 /nfs/dbraw/zinc/94/49/38/1137944938.db2.gz ZASFCVXKHHJRKE-LLVKDONJSA-N 1 1 333.844 3.905 20 30 EHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134773857 1137960643 /nfs/dbraw/zinc/96/06/43/1137960643.db2.gz SAAOPHVBRFDTGT-PMACEKPBSA-N 1 1 342.389 3.925 20 30 EHEDMO COc1ccc2cc(C[N@@H+](C)C[C@@H](O)CC3(C#N)CCC3)ccc2c1 ZINC000885938131 1138026922 /nfs/dbraw/zinc/02/69/22/1138026922.db2.gz SSZNWGCMVRMUSX-IBGZPJMESA-N 1 1 338.451 3.725 20 30 EHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)CCC1 ZINC000885944199 1138027281 /nfs/dbraw/zinc/02/72/81/1138027281.db2.gz KZNDFHJZLCVCCZ-ZBFHGGJFSA-N 1 1 341.480 3.878 20 30 EHEDMO COc1ccc(C[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@H](C)C2CC2)cc1 ZINC000885965637 1138029003 /nfs/dbraw/zinc/02/90/03/1138029003.db2.gz QOECFQHWOOKQHW-VQIMIIECSA-N 1 1 342.483 3.741 20 30 EHEDMO Cc1ccc([C@@H]2CSCC[N@H+]2C[C@H](O)CC2(C#N)CCC2)cc1 ZINC000886012612 1138032391 /nfs/dbraw/zinc/03/23/91/1138032391.db2.gz LGFLUPZOKPTXGD-MSOLQXFVSA-N 1 1 330.497 3.530 20 30 EHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2F)CCC1 ZINC000886075984 1138038490 /nfs/dbraw/zinc/03/84/90/1138038490.db2.gz JFGOWALVRVQUBZ-CRAIPNDOSA-N 1 1 334.410 3.937 20 30 EHEDMO C[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000886273612 1138063140 /nfs/dbraw/zinc/06/31/40/1138063140.db2.gz CODJPKUWDPYCHK-UGKGYDQZSA-N 1 1 349.478 3.792 20 30 EHEDMO C[C@H](COCc1ccccc1)C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000886273612 1138063142 /nfs/dbraw/zinc/06/31/42/1138063142.db2.gz CODJPKUWDPYCHK-UGKGYDQZSA-N 1 1 349.478 3.792 20 30 EHEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072663551 1138106951 /nfs/dbraw/zinc/10/69/51/1138106951.db2.gz ORAXPWRGJQUMGH-VYDXJSESSA-N 1 1 343.496 3.894 20 30 EHEDMO Cc1csc(C[C@@H]2CCC[N@@H+](Cc3ccc(CC#N)cc3)C2)n1 ZINC000886691449 1138116390 /nfs/dbraw/zinc/11/63/90/1138116390.db2.gz DTPYQHYGUYZKCI-SFHVURJKSA-N 1 1 325.481 3.972 20 30 EHEDMO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000076388080 1138131297 /nfs/dbraw/zinc/13/12/97/1138131297.db2.gz HRTLNKHEKGRCNI-HOCLYGCPSA-N 1 1 339.464 3.745 20 30 EHEDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000076388080 1138131298 /nfs/dbraw/zinc/13/12/98/1138131298.db2.gz HRTLNKHEKGRCNI-HOCLYGCPSA-N 1 1 339.464 3.745 20 30 EHEDMO C=CCC1(O)CC[NH+](Cc2csc(-c3ccc(OC)cc3)n2)CC1 ZINC000886759626 1138133861 /nfs/dbraw/zinc/13/38/61/1138133861.db2.gz LDFBWGOHIJOFQY-UHFFFAOYSA-N 1 1 344.480 3.722 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H](C)c1cccc(O)c1 ZINC000080931289 1138164637 /nfs/dbraw/zinc/16/46/37/1138164637.db2.gz BOYVCZBGNVRADW-OAHLLOKOSA-N 1 1 337.423 3.676 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000080908081 1138164642 /nfs/dbraw/zinc/16/46/42/1138164642.db2.gz NNEFMVSWTYJCKD-DYESRHJHSA-N 1 1 330.435 3.502 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000080908071 1138164764 /nfs/dbraw/zinc/16/47/64/1138164764.db2.gz NNEFMVSWTYJCKD-UTKZUKDTSA-N 1 1 330.435 3.502 20 30 EHEDMO COc1ccc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)cc1OCCCC#N ZINC000093501522 1138237945 /nfs/dbraw/zinc/23/79/45/1138237945.db2.gz LUYICIAPUFFBBF-GJZGRUSLSA-N 1 1 334.485 3.704 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000128247551 1138384036 /nfs/dbraw/zinc/38/40/36/1138384036.db2.gz GTQISLREOSQKAY-UWJYYQICSA-N 1 1 347.462 3.507 20 30 EHEDMO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2OC)o1 ZINC000131064043 1138494350 /nfs/dbraw/zinc/49/43/50/1138494350.db2.gz CUGPVYBPYDSQAP-QGZVFWFLSA-N 1 1 326.396 3.643 20 30 EHEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2OC)o1 ZINC000131064043 1138494351 /nfs/dbraw/zinc/49/43/51/1138494351.db2.gz CUGPVYBPYDSQAP-QGZVFWFLSA-N 1 1 326.396 3.643 20 30 EHEDMO CC(=O)NCC[N@@H+](CCCCC#N)Cc1ccc(Cl)cc1Cl ZINC000337520479 1138593149 /nfs/dbraw/zinc/59/31/49/1138593149.db2.gz OZMXBLLEMKKBPY-UHFFFAOYSA-N 1 1 342.270 3.625 20 30 EHEDMO CC(=O)NCC[N@H+](CCCCC#N)Cc1ccc(Cl)cc1Cl ZINC000337520479 1138593146 /nfs/dbraw/zinc/59/31/46/1138593146.db2.gz OZMXBLLEMKKBPY-UHFFFAOYSA-N 1 1 342.270 3.625 20 30 EHEDMO CCc1cnc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)s1 ZINC000174625120 1139431826 /nfs/dbraw/zinc/43/18/26/1139431826.db2.gz UQVDPCMBHVELSB-UHFFFAOYSA-N 1 1 345.468 3.686 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000174840851 1139445584 /nfs/dbraw/zinc/44/55/84/1139445584.db2.gz NBHDWRWFNGUXEK-UHFFFAOYSA-N 1 1 329.444 3.523 20 30 EHEDMO C[C@@H](CN1CCOCC1)[N@@H+](CCCC(C)(C)C#N)Cc1ccccc1 ZINC000174844917 1139446232 /nfs/dbraw/zinc/44/62/32/1139446232.db2.gz HYZCPDMVNZTVHC-IBGZPJMESA-N 1 1 343.515 3.539 20 30 EHEDMO C#CCCCCC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000180002917 1139799828 /nfs/dbraw/zinc/79/98/28/1139799828.db2.gz NHOYUTLKGRTXOP-UHFFFAOYSA-N 1 1 326.484 3.551 20 30 EHEDMO CCSCC[C@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180250795 1139821023 /nfs/dbraw/zinc/82/10/23/1139821023.db2.gz KOUDJLGZMVXETA-HNNXBMFYSA-N 1 1 342.512 3.922 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)s1 ZINC000180795972 1139863106 /nfs/dbraw/zinc/86/31/06/1139863106.db2.gz LTPKQLHYZWOTMR-LLVKDONJSA-N 1 1 340.374 3.672 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)s1 ZINC000180795972 1139863114 /nfs/dbraw/zinc/86/31/14/1139863114.db2.gz LTPKQLHYZWOTMR-LLVKDONJSA-N 1 1 340.374 3.672 20 30 EHEDMO C[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000181682000 1139924366 /nfs/dbraw/zinc/92/43/66/1139924366.db2.gz UEZPAELBUACGMK-NQIIRXRSSA-N 1 1 333.479 3.773 20 30 EHEDMO C[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000181682000 1139924368 /nfs/dbraw/zinc/92/43/68/1139924368.db2.gz UEZPAELBUACGMK-NQIIRXRSSA-N 1 1 333.479 3.773 20 30 EHEDMO COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)cc1OC ZINC000183446483 1140039284 /nfs/dbraw/zinc/03/92/84/1140039284.db2.gz HVWPYIAQTXEENO-NSHDSACASA-N 1 1 332.350 3.704 20 30 EHEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cccnc2)cc1OCCCC#N ZINC000183719949 1140054796 /nfs/dbraw/zinc/05/47/96/1140054796.db2.gz QPRJHFKUCDYWBS-MRXNPFEDSA-N 1 1 339.439 3.966 20 30 EHEDMO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000188478346 1140298115 /nfs/dbraw/zinc/29/81/15/1140298115.db2.gz FXGDYORHUURPMO-IBGZPJMESA-N 1 1 326.484 3.713 20 30 EHEDMO C=CCC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CCC)C1)c1ccccc1 ZINC000189943171 1140374362 /nfs/dbraw/zinc/37/43/62/1140374362.db2.gz BDFNTKYVRRZOEK-QUCCMNQESA-N 1 1 328.500 3.927 20 30 EHEDMO CCOC[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191791426 1140485626 /nfs/dbraw/zinc/48/56/26/1140485626.db2.gz IOGKIIMWKMQQIL-AWEZNQCLSA-N 1 1 337.261 3.569 20 30 EHEDMO C[N@@H+](Cc1ccccc1)C1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000717469768 1140645660 /nfs/dbraw/zinc/64/56/60/1140645660.db2.gz JDSARNIPQCOFNH-UHFFFAOYSA-N 1 1 337.442 3.794 20 30 EHEDMO C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000268458718 1140942836 /nfs/dbraw/zinc/94/28/36/1140942836.db2.gz NTLICRNNSGVDRR-KSSFIOAISA-N 1 1 328.437 3.612 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000268458718 1140942842 /nfs/dbraw/zinc/94/28/42/1140942842.db2.gz NTLICRNNSGVDRR-KSSFIOAISA-N 1 1 328.437 3.612 20 30 EHEDMO C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268917399 1141024926 /nfs/dbraw/zinc/02/49/26/1141024926.db2.gz VMWZFXFQKGFNBT-SIKLNZKXSA-N 1 1 341.543 3.670 20 30 EHEDMO C#CCOc1ccccc1C[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000271541865 1141392741 /nfs/dbraw/zinc/39/27/41/1141392741.db2.gz YPSNNLUAFXNFFD-CQSZACIVSA-N 1 1 326.465 3.885 20 30 EHEDMO CCC1(CC)C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCS1 ZINC000274268880 1141491271 /nfs/dbraw/zinc/49/12/71/1141491271.db2.gz AHVHEPMEKCMYRU-UHFFFAOYSA-N 1 1 342.468 3.716 20 30 EHEDMO CCC1(CC)C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCS1 ZINC000274268880 1141491274 /nfs/dbraw/zinc/49/12/74/1141491274.db2.gz AHVHEPMEKCMYRU-UHFFFAOYSA-N 1 1 342.468 3.716 20 30 EHEDMO COC(=O)c1ccccc1-c1ccc(C[NH+]2CCC(F)(C#N)CC2)o1 ZINC000348672751 1141564735 /nfs/dbraw/zinc/56/47/35/1141564735.db2.gz MXMDDUGWPPQSBS-UHFFFAOYSA-N 1 1 342.370 3.561 20 30 EHEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccc(C#N)c(C)c1 ZINC000349036211 1141625477 /nfs/dbraw/zinc/62/54/77/1141625477.db2.gz NUCSMECOUBRSED-QFIPXVFZSA-N 1 1 348.494 3.748 20 30 EHEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cccc2[nH]ccc21 ZINC000823914660 608631899 /nfs/dbraw/zinc/63/18/99/608631899.db2.gz LDBSULXSXJLVHT-UHFFFAOYSA-N 1 1 344.422 3.536 20 30 EHEDMO Cc1ccc(CC#N)c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164621732 719100764 /nfs/dbraw/zinc/10/07/64/719100764.db2.gz AONYASLXGRRAJH-SFTDATJTSA-N 1 1 346.478 3.557 20 30 EHEDMO N#CCCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C1CCCC1 ZINC001165016726 721835491 /nfs/dbraw/zinc/83/54/91/721835491.db2.gz HPBHWRSETWVONF-UHFFFAOYSA-N 1 1 332.879 3.993 20 30 EHEDMO COC(=O)c1cc(C[N@H+](C)Cc2ccccc2C(C)(C)C#N)oc1C ZINC000135110051 1032063908 /nfs/dbraw/zinc/06/39/08/1032063908.db2.gz VETHHDYEQWVYRJ-UHFFFAOYSA-N 1 1 340.423 3.808 20 30 EHEDMO COC(=O)c1cc(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)oc1C ZINC000135110051 1032063925 /nfs/dbraw/zinc/06/39/25/1032063925.db2.gz VETHHDYEQWVYRJ-UHFFFAOYSA-N 1 1 340.423 3.808 20 30 EHEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(CC#N)cc1 ZINC000108930838 1014218897 /nfs/dbraw/zinc/21/88/97/1014218897.db2.gz RAPRYDSEZCYRRO-SFHVURJKSA-N 1 1 328.460 3.529 20 30 EHEDMO N#Cc1csc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000160202374 1014353787 /nfs/dbraw/zinc/35/37/87/1014353787.db2.gz TXTWYQLXSWJNOI-INIZCTEOSA-N 1 1 328.437 3.507 20 30 EHEDMO Cc1ccc2[nH]c(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)cc2c1C ZINC000430183097 1014641883 /nfs/dbraw/zinc/64/18/83/1014641883.db2.gz BDSWYAUQJKAKLA-GOSISDBHSA-N 1 1 346.434 3.705 20 30 EHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1cc(C)c(F)c(C)c1)C2 ZINC001143374126 1014804196 /nfs/dbraw/zinc/80/41/96/1014804196.db2.gz MJMAFPLMHCWGBU-OAQYLSRUSA-N 1 1 344.474 3.976 20 30 EHEDMO Cc1cccc2c1ncc(C#N)c2N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000610211214 1014972349 /nfs/dbraw/zinc/97/23/49/1014972349.db2.gz FDQYVLJQMAYNFJ-IBGZPJMESA-N 1 1 342.446 3.523 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2C2CCCCC2)c1C#N ZINC001167071469 1015062590 /nfs/dbraw/zinc/06/25/90/1015062590.db2.gz MBIKBLZOWBBCKP-IBGZPJMESA-N 1 1 326.440 3.890 20 30 EHEDMO COc1ccc(O)c(/C=N\C[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000255007325 1015498425 /nfs/dbraw/zinc/49/84/25/1015498425.db2.gz WSGMCQFQJDZDEO-LELXDKESSA-N 1 1 332.831 3.776 20 30 EHEDMO C[C@@H]1C[C@H](CCNC(=O)c2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000510147984 1015779966 /nfs/dbraw/zinc/77/99/66/1015779966.db2.gz KNMDUIHRENAZPF-XLIONFOSSA-N 1 1 347.462 3.589 20 30 EHEDMO C[N@H+](Cc1cccc(Cl)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083128139 1016073077 /nfs/dbraw/zinc/07/30/77/1016073077.db2.gz CTYLOKOQEHOGFK-HNNXBMFYSA-N 1 1 345.855 3.510 20 30 EHEDMO C[N@@H+](Cc1cccc(Cl)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083128139 1016073087 /nfs/dbraw/zinc/07/30/87/1016073087.db2.gz CTYLOKOQEHOGFK-HNNXBMFYSA-N 1 1 345.855 3.510 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1Cl)C2 ZINC001204437777 1016098890 /nfs/dbraw/zinc/09/88/90/1016098890.db2.gz OKWDLLOBXQKYCB-WMZOPIPTSA-N 1 1 339.838 3.805 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1Cl)C2 ZINC001204437777 1016098899 /nfs/dbraw/zinc/09/88/99/1016098899.db2.gz OKWDLLOBXQKYCB-WMZOPIPTSA-N 1 1 339.838 3.805 20 30 EHEDMO C=CCCCCCCC[N@@H+]1CCn2c(C(=O)OCC)cnc2[C@@H]1C ZINC001209442265 1016300646 /nfs/dbraw/zinc/30/06/46/1016300646.db2.gz PAMLABGGNVPHIQ-INIZCTEOSA-N 1 1 333.476 3.963 20 30 EHEDMO C=CCCCCCCC[N@H+]1CCn2c(C(=O)OCC)cnc2[C@@H]1C ZINC001209442265 1016300655 /nfs/dbraw/zinc/30/06/55/1016300655.db2.gz PAMLABGGNVPHIQ-INIZCTEOSA-N 1 1 333.476 3.963 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000247080931 1016400488 /nfs/dbraw/zinc/40/04/88/1016400488.db2.gz VSBHZKACKKXGRU-AEFFLSMTSA-N 1 1 329.463 3.784 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H](C)C1 ZINC000407971981 1016622956 /nfs/dbraw/zinc/62/29/56/1016622956.db2.gz ROBJKLHFLIAXGE-CHWSQXEVSA-N 1 1 331.485 3.557 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@H](C)C1 ZINC000407971981 1016622966 /nfs/dbraw/zinc/62/29/66/1016622966.db2.gz ROBJKLHFLIAXGE-CHWSQXEVSA-N 1 1 331.485 3.557 20 30 EHEDMO CC(C)Oc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1C#N ZINC000178581167 1016726315 /nfs/dbraw/zinc/72/63/15/1016726315.db2.gz IIGPIGXUVPVKJD-LJQANCHMSA-N 1 1 337.423 3.587 20 30 EHEDMO C[N@H+]1CC[C@H](Nc2nc3c(Cl)cc(F)cc3c(Cl)c2C#N)C1 ZINC001167275473 1016933961 /nfs/dbraw/zinc/93/39/61/1016933961.db2.gz PYVYLVYEJNMURH-VIFPVBQESA-N 1 1 339.201 3.668 20 30 EHEDMO COc1ccccc1[C@@H]1CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000376626634 1016957009 /nfs/dbraw/zinc/95/70/09/1016957009.db2.gz KTUVHFOWJDILBR-SFHVURJKSA-N 1 1 328.456 3.933 20 30 EHEDMO C=CC[N@H+](C[C@@H](O)COCc1ccccc1F)CC1CCCCC1 ZINC000484950226 1032158809 /nfs/dbraw/zinc/15/88/09/1032158809.db2.gz XSIYVAQYSLJOKN-LJQANCHMSA-N 1 1 335.463 3.772 20 30 EHEDMO C=C(C)CN1CCC([NH2+]Cc2cccc(Br)c2F)CC1 ZINC000449126435 1032217974 /nfs/dbraw/zinc/21/79/74/1032217974.db2.gz VHQWIKIGDBXJLC-UHFFFAOYSA-N 1 1 341.268 3.718 20 30 EHEDMO C=CC[N@H+](CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3)C1CC1 ZINC000536745151 1032227124 /nfs/dbraw/zinc/22/71/24/1032227124.db2.gz HDCOJPKONLPDBI-GFCCVEGCSA-N 1 1 342.512 3.591 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459583767 1032283969 /nfs/dbraw/zinc/28/39/69/1032283969.db2.gz UCTQUDVPPKHFPX-XLIONFOSSA-N 1 1 339.483 3.612 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459583767 1032283983 /nfs/dbraw/zinc/28/39/83/1032283983.db2.gz UCTQUDVPPKHFPX-XLIONFOSSA-N 1 1 339.483 3.612 20 30 EHEDMO N#Cc1c(F)cccc1C[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000601999883 1032586311 /nfs/dbraw/zinc/58/63/11/1032586311.db2.gz WYODQHJEBNUEPI-KRWDZBQOSA-N 1 1 329.444 3.686 20 30 EHEDMO CC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000592998658 1032634894 /nfs/dbraw/zinc/63/48/94/1032634894.db2.gz DRLZGZIYDMLDCP-CQSZACIVSA-N 1 1 334.379 3.921 20 30 EHEDMO CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000592998658 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3.759 20 30 EHEDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(C#N)cc1Cl ZINC000549171020 1017483460 /nfs/dbraw/zinc/48/34/60/1017483460.db2.gz GTPAOZXCXZROTH-UHFFFAOYSA-N 1 1 329.787 3.794 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)OC)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000176964503 1017545050 /nfs/dbraw/zinc/54/50/50/1017545050.db2.gz RZZNIRDKEXNWGG-ZDUSSCGKSA-N 1 1 328.437 3.989 20 30 EHEDMO CN(CC[C@H]1CCCC[N@H+]1C)c1c(C#N)cnc2c(F)ccc(F)c21 ZINC000610282713 1017622658 /nfs/dbraw/zinc/62/26/58/1017622658.db2.gz DZYHMBZDWQULNM-CQSZACIVSA-N 1 1 344.409 3.695 20 30 EHEDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1-c1ccccc1C#N ZINC000597858463 1032718339 /nfs/dbraw/zinc/71/83/39/1032718339.db2.gz LVBXZLQFAGZPOV-QGZVFWFLSA-N 1 1 347.462 3.828 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NC2(C(=O)OC)CCCC2)cc1 ZINC001167716362 1017783057 /nfs/dbraw/zinc/78/30/57/1017783057.db2.gz KHEKFYIGAJDMRI-SFHVURJKSA-N 1 1 328.456 3.907 20 30 EHEDMO C[C@@H](NC(=O)NCCCC[N@H+]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000610348285 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ZINC000729150430 1019207781 /nfs/dbraw/zinc/20/77/81/1019207781.db2.gz VMYRBFHLSRLUQL-OAHLLOKOSA-N 1 1 340.423 3.545 20 30 EHEDMO C[C@@H]1C[C@H](C)[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000548096060 1019376207 /nfs/dbraw/zinc/37/62/07/1019376207.db2.gz BESHMSZHYQEGGC-RWMBFGLXSA-N 1 1 331.485 3.556 20 30 EHEDMO N#Cc1ccc(C2([NH2+]Cc3c(F)cccc3[N+](=O)[O-])CCC2)cc1 ZINC000594032505 1032828181 /nfs/dbraw/zinc/82/81/81/1032828181.db2.gz VPRBXMRYTIHTLV-UHFFFAOYSA-N 1 1 325.343 3.775 20 30 EHEDMO CCCCCCC[N@H+]1CCc2nc(C(=O)N3CCCCO3)ccc2C1 ZINC001279865919 1019430768 /nfs/dbraw/zinc/43/07/68/1019430768.db2.gz CAAXTPGVISMBAL-UHFFFAOYSA-N 1 1 345.487 3.578 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)cc1 ZINC000528794748 1032832870 /nfs/dbraw/zinc/83/28/70/1032832870.db2.gz QWTQQPOTWUSJQF-GOSISDBHSA-N 1 1 346.352 3.669 20 30 EHEDMO N#Cc1ccc(C2([NH2+]Cc3ccc(C#N)cc3[N+](=O)[O-])CCC2)cc1 ZINC000594034527 1032841173 /nfs/dbraw/zinc/84/11/73/1032841173.db2.gz COKCUEOJMJSCBK-UHFFFAOYSA-N 1 1 332.363 3.507 20 30 EHEDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CC(C)(C)C#N ZINC000500982506 1019666515 /nfs/dbraw/zinc/66/65/15/1019666515.db2.gz OOTRIPOSVRFCBP-GOSISDBHSA-N 1 1 341.499 3.515 20 30 EHEDMO N#CCc1ccc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 ZINC000612084789 1032850983 /nfs/dbraw/zinc/85/09/83/1032850983.db2.gz JQNSLYPCBKTUGR-CHWSQXEVSA-N 1 1 336.279 3.925 20 30 EHEDMO C=CC[NH+]1CCC(NCc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430022899 1019785023 /nfs/dbraw/zinc/78/50/23/1019785023.db2.gz OZZZNDRWSNFILX-UHFFFAOYSA-N 1 1 334.891 3.869 20 30 EHEDMO CCN(C(=O)c1sc2ccc(C#N)cc2c1C)[C@@H]1CC[N@@H+](CC)C1 ZINC000598040329 1032873988 /nfs/dbraw/zinc/87/39/88/1032873988.db2.gz PCWGKEBGABTTKG-OAHLLOKOSA-N 1 1 341.480 3.638 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000581098586 1020427498 /nfs/dbraw/zinc/42/74/98/1020427498.db2.gz GFDIZOAICWNWLR-KRWDZBQOSA-N 1 1 343.492 3.882 20 30 EHEDMO COc1ccc(C[NH2+]Cc2sccc2Br)cc1C#N ZINC000090714849 1020439868 /nfs/dbraw/zinc/43/98/68/1020439868.db2.gz WGURAEOCOPODNT-UHFFFAOYSA-N 1 1 337.242 3.681 20 30 EHEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000280592509 1020501647 /nfs/dbraw/zinc/50/16/47/1020501647.db2.gz NJAXNIZPQQPJCP-UHFFFAOYSA-N 1 1 349.478 3.869 20 30 EHEDMO C=CCCO[C@@H](C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000345880520 1020569741 /nfs/dbraw/zinc/56/97/41/1020569741.db2.gz PZURVJCJTNWSHE-MSOLQXFVSA-N 1 1 344.499 3.516 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000177964670 1020641275 /nfs/dbraw/zinc/64/12/75/1020641275.db2.gz XADRWGMGAAXFPO-OAHLLOKOSA-N 1 1 345.512 3.736 20 30 EHEDMO CCC(C#N)(CC)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000528844734 1032919182 /nfs/dbraw/zinc/91/91/82/1032919182.db2.gz XNJCRARXTHNLMK-KRWDZBQOSA-N 1 1 333.520 3.819 20 30 EHEDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)s1 ZINC001167464059 1020930347 /nfs/dbraw/zinc/93/03/47/1020930347.db2.gz FCUNYCBIGPEPCN-CJNGLKHVSA-N 1 1 329.469 3.612 20 30 EHEDMO COc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@H](Oc3ccccc3C#N)C1)C2 ZINC001168281742 1032945473 /nfs/dbraw/zinc/94/54/73/1032945473.db2.gz FQSCTCWOZCCKDL-TZIWHRDSSA-N 1 1 348.446 3.577 20 30 EHEDMO C=CCOc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1Cl ZINC000581575659 1021103297 /nfs/dbraw/zinc/10/32/97/1021103297.db2.gz ZYNMIRRNYRZPDE-AEFFLSMTSA-N 1 1 334.891 3.821 20 30 EHEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccc1N1CCCC1 ZINC000051120830 1021179700 /nfs/dbraw/zinc/17/97/00/1021179700.db2.gz GXLOELBZOTUTPF-UHFFFAOYSA-N 1 1 335.451 3.669 20 30 EHEDMO C=CCC[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)OCC ZINC000449651780 1032964165 /nfs/dbraw/zinc/96/41/65/1032964165.db2.gz AATWGGACVHGUQZ-SCCNAQOGSA-N 1 1 340.467 3.878 20 30 EHEDMO C#Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c(Cl)c1 ZINC000933363537 1021384986 /nfs/dbraw/zinc/38/49/86/1021384986.db2.gz BKDVVKZJRSGNSD-CXAGYDPISA-N 1 1 333.863 3.515 20 30 EHEDMO C[N@@H+](CCC1CCCCC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000507597397 1021388344 /nfs/dbraw/zinc/38/83/44/1021388344.db2.gz MRNHKZXBXBGMHH-IBGZPJMESA-N 1 1 325.456 3.566 20 30 EHEDMO Cc1sc(NC(=O)C[N@@H+]2CCC3(C2)CCCCC3)c(C#N)c1C ZINC000426446711 1021601637 /nfs/dbraw/zinc/60/16/37/1021601637.db2.gz BJXPDCULLVIJCG-UHFFFAOYSA-N 1 1 331.485 3.831 20 30 EHEDMO Cc1sc(NC(=O)C[N@H+]2CCC3(C2)CCCCC3)c(C#N)c1C ZINC000426446711 1021601647 /nfs/dbraw/zinc/60/16/47/1021601647.db2.gz BJXPDCULLVIJCG-UHFFFAOYSA-N 1 1 331.485 3.831 20 30 EHEDMO C=CCC1(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CCCC1 ZINC000664625233 1021740550 /nfs/dbraw/zinc/74/05/50/1021740550.db2.gz KOXFYISQZANHMG-SJORKVTESA-N 1 1 333.520 3.828 20 30 EHEDMO C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CCC(C(C)(C)C)CC1 ZINC000519001632 1021751198 /nfs/dbraw/zinc/75/11/98/1021751198.db2.gz JHBQZDHFHHNKCD-ACBHZAAOSA-N 1 1 344.499 3.835 20 30 EHEDMO CCCN(CCC)C(=O)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000519908552 1021758201 /nfs/dbraw/zinc/75/82/01/1021758201.db2.gz DCKLNTKGNAMFMV-UHFFFAOYSA-N 1 1 329.488 3.665 20 30 EHEDMO CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)c1ccccc1OC ZINC000519907004 1021758539 /nfs/dbraw/zinc/75/85/39/1021758539.db2.gz FIJYPTOYHSREKY-JXFKEZNVSA-N 1 1 345.487 3.523 20 30 EHEDMO CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)c1ccccc1OC ZINC000519907004 1021758552 /nfs/dbraw/zinc/75/85/52/1021758552.db2.gz FIJYPTOYHSREKY-JXFKEZNVSA-N 1 1 345.487 3.523 20 30 EHEDMO CC[C@H](c1ccccc1)[N@@H+](CC)C[C@H](O)COc1ccc(C#N)cc1 ZINC000519909210 1021760799 /nfs/dbraw/zinc/76/07/99/1021760799.db2.gz MTLZVNQPSKPHCU-PZJWPPBQSA-N 1 1 338.451 3.771 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nccs3)C2)c(OC(F)F)c1 ZINC000437431180 1021833250 /nfs/dbraw/zinc/83/32/50/1021833250.db2.gz JXSDPLNRBLJCLW-AWEZNQCLSA-N 1 1 349.406 3.996 20 30 EHEDMO N#CCC[C@@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000416176524 1021870844 /nfs/dbraw/zinc/87/08/44/1021870844.db2.gz GIYOHYDWWJYLGB-OAQYLSRUSA-N 1 1 347.462 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332.488 3.629 20 30 EHEDMO C=CCC[N@H+](C)Cc1cc(Br)ccc1OCCOCC ZINC000467375943 1023031805 /nfs/dbraw/zinc/03/18/05/1023031805.db2.gz GXXAIXQIVAMCDE-UHFFFAOYSA-N 1 1 342.277 3.872 20 30 EHEDMO N#CC1(NC(=O)C[N@H+](Cc2ccccc2)CC2CCC2)CCCCC1 ZINC000518594687 1023123043 /nfs/dbraw/zinc/12/30/43/1023123043.db2.gz XSKAPHREYWZAFE-UHFFFAOYSA-N 1 1 339.483 3.631 20 30 EHEDMO O[C@@H](C[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)c1cccs1 ZINC000156554795 1023136148 /nfs/dbraw/zinc/13/61/48/1023136148.db2.gz MMZBJTJUSITNGX-MSOLQXFVSA-N 1 1 329.440 3.827 20 30 EHEDMO C=CCC[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000426996739 1023159243 /nfs/dbraw/zinc/15/92/43/1023159243.db2.gz DJBWHRPEZPYVTH-QUCCMNQESA-N 1 1 326.484 3.870 20 30 EHEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000476295468 1033117113 /nfs/dbraw/zinc/11/71/13/1033117113.db2.gz LJPIDZUSLBGELU-IBGZPJMESA-N 1 1 336.435 3.653 20 30 EHEDMO CCC[N@H+](CC#Cc1ccc(F)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000439032156 1023234358 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339.483 3.558 20 30 EHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(C#N)cc2)cc1 ZINC000058950302 1033130646 /nfs/dbraw/zinc/13/06/46/1033130646.db2.gz IDQVPMULOAVWIP-KRWDZBQOSA-N 1 1 347.462 3.863 20 30 EHEDMO Cc1cccc(C(C)(C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000341846797 1023452933 /nfs/dbraw/zinc/45/29/33/1023452933.db2.gz MPZQPOGYMSLHIV-UHFFFAOYSA-N 1 1 332.407 3.942 20 30 EHEDMO C=CCOc1cccc(NC(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000510968134 1023541429 /nfs/dbraw/zinc/54/14/29/1023541429.db2.gz MYMUTDCQCDAIRZ-BBWFWOEESA-N 1 1 345.487 3.739 20 30 EHEDMO CC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000341937043 1023708656 /nfs/dbraw/zinc/70/86/56/1023708656.db2.gz BCOFOYPFANUUAQ-HUUCEWRRSA-N 1 1 331.485 3.894 20 30 EHEDMO CCC[N@@H+](CC1(CC#N)CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000602788627 1033160386 /nfs/dbraw/zinc/16/03/86/1033160386.db2.gz RCZFZCMUCHMUMR-UHFFFAOYSA-N 1 1 339.483 3.697 20 30 EHEDMO C=CC[C@H](C)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000342081159 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N#Cc1ccnc(N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000342402262 1025212922 /nfs/dbraw/zinc/21/29/22/1025212922.db2.gz CZKYWGOSFYOXSU-INIZCTEOSA-N 1 1 346.356 3.658 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000607751756 1033268783 /nfs/dbraw/zinc/26/87/83/1033268783.db2.gz AHVHUMGAUYCQQI-WSTZPKSXSA-N 1 1 326.484 3.701 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000522779074 1025284411 /nfs/dbraw/zinc/28/44/11/1025284411.db2.gz KWJJUANUUJENGQ-UHFFFAOYSA-N 1 1 331.460 3.637 20 30 EHEDMO CC[N@@H+](Cc1cn(C)nc1-c1ccncc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119876843 1025373395 /nfs/dbraw/zinc/37/33/95/1025373395.db2.gz PAKRQLHMWIUYQV-INIZCTEOSA-N 1 1 345.450 3.937 20 30 EHEDMO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1c[nH]c(-c2ccccc2)n1 ZINC000518837911 1025398947 /nfs/dbraw/zinc/39/89/47/1025398947.db2.gz BNVFCHLTFSUZJD-UHFFFAOYSA-N 1 1 346.434 3.597 20 30 EHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1c[nH]c(-c2ccccc2)n1 ZINC000518837911 1025398958 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326.484 3.686 20 30 EHEDMO CN(Cc1cc(C[N@H+](C)CC(C)(C)C#N)ccc1F)CC(C)(C)C#N ZINC000451068287 1025509999 /nfs/dbraw/zinc/50/99/99/1025509999.db2.gz ZASNKOOFWPCWJN-UHFFFAOYSA-N 1 1 344.478 3.789 20 30 EHEDMO CN(Cc1cc(C[N@@H+](C)CC(C)(C)C#N)ccc1F)CC(C)(C)C#N ZINC000451068287 1025510001 /nfs/dbraw/zinc/51/00/01/1025510001.db2.gz ZASNKOOFWPCWJN-UHFFFAOYSA-N 1 1 344.478 3.789 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccncc1OCC(F)F)c1ccc(C#N)cc1F ZINC000442867170 1025536554 /nfs/dbraw/zinc/53/65/54/1025536554.db2.gz KNICBMUXHFPFRD-LLVKDONJSA-N 1 1 335.329 3.587 20 30 EHEDMO Cc1noc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cc(Cl)ccc3C)C2)n1 ZINC000329060968 1025584461 /nfs/dbraw/zinc/58/44/61/1025584461.db2.gz USMQYMNIBKDCGJ-AAEUAGOBSA-N 1 1 348.834 3.806 20 30 EHEDMO Cc1noc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cc(Cl)ccc3C)C2)n1 ZINC000329060968 1025584470 /nfs/dbraw/zinc/58/44/70/1025584470.db2.gz USMQYMNIBKDCGJ-AAEUAGOBSA-N 1 1 348.834 3.806 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 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/nfs/dbraw/zinc/41/35/76/1033413576.db2.gz NZTQTDHCJVTOMD-HKUYNNGSSA-N 1 1 343.515 3.540 20 30 EHEDMO C=CC[NH+](CC=C)CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000052869249 1033517589 /nfs/dbraw/zinc/51/75/89/1033517589.db2.gz KTDFRCBQSATVFX-IBGZPJMESA-N 1 1 344.455 3.767 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC2(CCCC2)C1 ZINC000173830282 1033537060 /nfs/dbraw/zinc/53/70/60/1033537060.db2.gz QLYJWGCJGJGVHJ-QGZVFWFLSA-N 1 1 325.456 3.588 20 30 EHEDMO C=CCn1c(CCC2CCCCC2)nnc1N1CCC[N@H+](CC)CC1 ZINC000685551971 1033544045 /nfs/dbraw/zinc/54/40/45/1033544045.db2.gz LTPXUDHDJBQYEA-UHFFFAOYSA-N 1 1 345.535 3.509 20 30 EHEDMO CC(C)C[N@@H+]1CCC[C@@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594961363 1033601220 /nfs/dbraw/zinc/60/12/20/1033601220.db2.gz XVJBEIMUBAUGEP-IBGZPJMESA-N 1 1 325.500 3.699 20 30 EHEDMO CC(C)C[N@H+]1CCC[C@@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594961363 1033601224 /nfs/dbraw/zinc/60/12/24/1033601224.db2.gz XVJBEIMUBAUGEP-IBGZPJMESA-N 1 1 325.500 3.699 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(Nc3ccc4c[nH]nc4c3)CC2)cc1 ZINC000603428842 1033623523 /nfs/dbraw/zinc/62/35/23/1033623523.db2.gz SKIPXXUEVDQHTG-UHFFFAOYSA-N 1 1 331.423 3.511 20 30 EHEDMO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000595055703 1033631872 /nfs/dbraw/zinc/63/18/72/1033631872.db2.gz HVAKFDXFVVFRIV-IBGZPJMESA-N 1 1 347.506 3.786 20 30 EHEDMO C[C@H](NCC1(C#N)CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000595089952 1033698665 /nfs/dbraw/zinc/69/86/65/1033698665.db2.gz ARDGHNVYSWWBQQ-KRWDZBQOSA-N 1 1 329.488 3.752 20 30 EHEDMO N#Cc1ccccc1-c1ccc(C[N@H+](CCO)Cc2cccnc2)cc1 ZINC000152330051 1033769924 /nfs/dbraw/zinc/76/99/24/1033769924.db2.gz KPDIWVAZXYKXJQ-UHFFFAOYSA-N 1 1 343.430 3.615 20 30 EHEDMO CCC(C#N)(CC)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000529313023 1033789294 /nfs/dbraw/zinc/78/92/94/1033789294.db2.gz MYTIEFYXVOOAOJ-INIZCTEOSA-N 1 1 347.528 3.667 20 30 EHEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000472354276 1033848113 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EHEDMO COc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1C1(C#N)CC1 ZINC000596637074 1034341030 /nfs/dbraw/zinc/34/10/30/1034341030.db2.gz QGJGQBBFHJYXMT-UHFFFAOYSA-N 1 1 348.446 3.750 20 30 EHEDMO C[NH+]1CCN(Cc2ccccc2-c2ccccc2C2(C#N)CC2)CC1 ZINC000596639978 1034342805 /nfs/dbraw/zinc/34/28/05/1034342805.db2.gz WTDXMTUTPLZBMF-UHFFFAOYSA-N 1 1 331.463 3.656 20 30 EHEDMO CCC[N@H+]1CC[C@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000596736431 1034371260 /nfs/dbraw/zinc/37/12/60/1034371260.db2.gz VRGUIDCQAOKHNI-CABCVRRESA-N 1 1 346.500 3.687 20 30 EHEDMO C=CCN(CC=C)C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000061576391 1034380441 /nfs/dbraw/zinc/38/04/41/1034380441.db2.gz ZZDSJCNMXGCSTE-UHFFFAOYSA-N 1 1 334.463 3.889 20 30 EHEDMO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000604458101 1034390960 /nfs/dbraw/zinc/39/09/60/1034390960.db2.gz KMQVBPIDSSPFLB-SFHVURJKSA-N 1 1 340.858 3.880 20 30 EHEDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597089052 1034538789 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CC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)CC(C)(C)C ZINC000463373331 1038091115 /nfs/dbraw/zinc/09/11/15/1038091115.db2.gz AHDCVJCDNBAWTI-UHFFFAOYSA-N 1 1 335.879 3.955 20 30 EHEDMO CC(C)N(C(=O)CCCCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592693930 1038101027 /nfs/dbraw/zinc/10/10/27/1038101027.db2.gz BYICCPLTGGGZDR-HXUWFJFHSA-N 1 1 341.499 3.972 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1cccc(CC#N)c1 ZINC000455918496 1038585837 /nfs/dbraw/zinc/58/58/37/1038585837.db2.gz KWHNSNXNMDDLGN-MRXNPFEDSA-N 1 1 328.460 3.529 20 30 EHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C)c2cccc(C#N)c2)C1 ZINC000462067018 1038731569 /nfs/dbraw/zinc/73/15/69/1038731569.db2.gz JUVFSVCAYUGVDV-SJORKVTESA-N 1 1 341.499 3.679 20 30 EHEDMO COc1ccc(C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)cc1OCCCC#N ZINC000898422955 1039021485 /nfs/dbraw/zinc/02/14/85/1039021485.db2.gz PHUZQNMLUQXLHA-APWZRJJASA-N 1 1 346.496 3.563 20 30 EHEDMO Cc1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1 ZINC000554195360 1039027046 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20 30 EHEDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H](C)C1 ZINC000488724907 1039346230 /nfs/dbraw/zinc/34/62/30/1039346230.db2.gz TYJYQJJLFVRRMH-IIYDPXPESA-N 1 1 337.389 3.744 20 30 EHEDMO C[C@@H]1CN(c2ccc(C#N)cc2C(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC000488713858 1039351576 /nfs/dbraw/zinc/35/15/76/1039351576.db2.gz DKJYBBQNDXFFGT-ZDUSSCGKSA-N 1 1 337.389 3.888 20 30 EHEDMO CC(C)c1ccc2ncc(C#N)c(N3CC[C@]4(CC[N@@H+](C)C4)C3)c2c1 ZINC000488720538 1039357029 /nfs/dbraw/zinc/35/70/29/1039357029.db2.gz YXFQLXVQYZULGO-NRFANRHFSA-N 1 1 334.467 3.762 20 30 EHEDMO N#Cc1cccc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)c1F ZINC000512478418 1039389392 /nfs/dbraw/zinc/38/93/92/1039389392.db2.gz CBSKAJZDGLWCST-YVMONPNESA-N 1 1 335.426 3.528 20 30 EHEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000570265676 1039429684 /nfs/dbraw/zinc/42/96/84/1039429684.db2.gz UCISKBSUQWSXKE-JTQLQIEISA-N 1 1 326.625 3.636 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)cc(Cl)c1 ZINC000485719788 1039458470 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1040138081 /nfs/dbraw/zinc/13/80/81/1040138081.db2.gz KYVKYFHXZKFDFW-INIZCTEOSA-N 1 1 346.883 3.797 20 30 EHEDMO C[N@@H+](CCSc1c(C#N)nnc2ccccc21)Cc1ccccc1 ZINC000432917918 1040174855 /nfs/dbraw/zinc/17/48/55/1040174855.db2.gz MJHJIHNODIDNBZ-UHFFFAOYSA-N 1 1 334.448 3.726 20 30 EHEDMO CCC[N@@H+](C)[C@@H](CNc1ccncc1C#N)c1ccc(Cl)cc1 ZINC000553577730 1040183617 /nfs/dbraw/zinc/18/36/17/1040183617.db2.gz KJSUJTVTOOABAH-SFHVURJKSA-N 1 1 328.847 3.524 20 30 EHEDMO C#Cc1ccc(C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)cc1 ZINC000907808861 1040197912 /nfs/dbraw/zinc/19/79/12/1040197912.db2.gz HKDZEOGVFXOMBZ-SFHVURJKSA-N 1 1 347.462 3.726 20 30 EHEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000486513218 1040202194 /nfs/dbraw/zinc/20/21/94/1040202194.db2.gz BDWAJPHQQFMCSB-NSISKUIASA-N 1 1 342.483 3.981 20 30 EHEDMO CCc1ccc([C@H](C#N)NC(=O)[C@H](CC)[N@@H+](C)Cc2ccccc2)cc1 ZINC000489956139 1040254513 /nfs/dbraw/zinc/25/45/13/1040254513.db2.gz NSYFNAOSGDKSJG-SFTDATJTSA-N 1 1 349.478 3.840 20 30 EHEDMO CCc1ccc([C@@H](C#N)NC(=O)[C@H](CC)[N@@H+](C)Cc2ccccc2)cc1 ZINC000489956138 1040254914 /nfs/dbraw/zinc/25/49/14/1040254914.db2.gz NSYFNAOSGDKSJG-RTWAWAEBSA-N 1 1 349.478 3.840 20 30 EHEDMO O=c1[nH]c2ccccc2cc1C=N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000912779292 1040284299 /nfs/dbraw/zinc/28/42/99/1040284299.db2.gz ZJCBLVJZYMOXJM-UUMRFZBWSA-N 1 1 331.419 3.634 20 30 EHEDMO C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000479466716 1040287723 /nfs/dbraw/zinc/28/77/23/1040287723.db2.gz SELLKUZPVFUBOK-SJLPKXTDSA-N 1 1 337.442 3.870 20 30 EHEDMO C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000479466716 1040287740 /nfs/dbraw/zinc/28/77/40/1040287740.db2.gz SELLKUZPVFUBOK-SJLPKXTDSA-N 1 1 337.442 3.870 20 30 EHEDMO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000479466716 1040287753 /nfs/dbraw/zinc/28/77/53/1040287753.db2.gz SELLKUZPVFUBOK-SJLPKXTDSA-N 1 1 337.442 3.870 20 30 EHEDMO COc1ccc(C[N@@H+](C)CCC(F)(F)F)cc1OCCCC#N ZINC000092479646 1040306308 /nfs/dbraw/zinc/30/63/08/1040306308.db2.gz KNAPDVOLAYROHI-UHFFFAOYSA-N 1 1 330.350 3.762 20 30 EHEDMO C[C@H](c1cccnc1)N1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614168659 1040341141 /nfs/dbraw/zinc/34/11/41/1040341141.db2.gz OQRLDCSDPDQEKR-GOSISDBHSA-N 1 1 348.494 3.762 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@H+](CCc2ccc(F)c(F)c2)CC1 ZINC000490092800 1040353211 /nfs/dbraw/zinc/35/32/11/1040353211.db2.gz JABYLGPWWWADMT-UHFFFAOYSA-N 1 1 341.405 3.591 20 30 EHEDMO C=C(C[NH2+]Cc1cccc(Cl)c1S(=O)(=O)CC)c1ccccc1 ZINC000479549903 1040361896 /nfs/dbraw/zinc/36/18/96/1040361896.db2.gz AYIDCMOMYPOYJE-UHFFFAOYSA-N 1 1 349.883 3.937 20 30 EHEDMO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000614176764 1040382424 /nfs/dbraw/zinc/38/24/24/1040382424.db2.gz FDMXVKLHVKAINY-HNNXBMFYSA-N 1 1 334.847 3.623 20 30 EHEDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000614176764 1040382443 /nfs/dbraw/zinc/38/24/43/1040382443.db2.gz FDMXVKLHVKAINY-HNNXBMFYSA-N 1 1 334.847 3.623 20 30 EHEDMO C=CCCCCCN(C)C(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000669049264 1040461939 /nfs/dbraw/zinc/46/19/39/1040461939.db2.gz QMWMGFLPABUCJJ-UHFFFAOYSA-N 1 1 339.483 3.974 20 30 EHEDMO C=CCCCCCN(C)C(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000669049264 1040461949 /nfs/dbraw/zinc/46/19/49/1040461949.db2.gz QMWMGFLPABUCJJ-UHFFFAOYSA-N 1 1 339.483 3.974 20 30 EHEDMO COc1cc(C#N)ccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481189252 1040465007 /nfs/dbraw/zinc/46/50/07/1040465007.db2.gz LTPRVGNUXQMWSS-DYESRHJHSA-N 1 1 349.478 3.567 20 30 EHEDMO COc1cc(C#N)ccc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000481189252 1040465036 /nfs/dbraw/zinc/46/50/36/1040465036.db2.gz LTPRVGNUXQMWSS-DYESRHJHSA-N 1 1 349.478 3.567 20 30 EHEDMO C[C@@H](CCC#N)[N@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000411151562 1040508476 /nfs/dbraw/zinc/50/84/76/1040508476.db2.gz BFELNBYCFMIBTR-HNNXBMFYSA-N 1 1 339.405 3.905 20 30 EHEDMO C[C@@H](CCC#N)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000411151562 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EHEDMO C[C@H](CNc1snc(Cl)c1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000051854018 1040812497 /nfs/dbraw/zinc/81/24/97/1040812497.db2.gz MNKURQTYGAVQCB-LLVKDONJSA-N 1 1 332.860 3.527 20 30 EHEDMO C[C@H](CNc1snc(Cl)c1C#N)[N@H+]1CCc2ccccc2C1 ZINC000051854018 1040812513 /nfs/dbraw/zinc/81/25/13/1040812513.db2.gz MNKURQTYGAVQCB-LLVKDONJSA-N 1 1 332.860 3.527 20 30 EHEDMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCCCCC#N ZINC000600228388 1040883014 /nfs/dbraw/zinc/88/30/14/1040883014.db2.gz WQTARMJZTTYUSZ-HXUWFJFHSA-N 1 1 341.499 3.829 20 30 EHEDMO C=CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000487604743 1040984531 /nfs/dbraw/zinc/98/45/31/1040984531.db2.gz ZZXLIISIUADJMN-LEWJYISDSA-N 1 1 334.463 3.737 20 30 EHEDMO C=C(C)[C@@H]([NH2+]CC(=O)N1CCCC[C@H]1CC)c1ccc(F)c(F)c1 ZINC000481571015 1041093207 /nfs/dbraw/zinc/09/32/07/1041093207.db2.gz NVIKLMLDFFGRSX-DNVCBOLYSA-N 1 1 336.426 3.963 20 30 EHEDMO CC(C)[N@@H+](C)CCNC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000587176200 1041112753 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1132923535 /nfs/dbraw/zinc/92/35/35/1132923535.db2.gz PLTBQRDFXCUPJD-RBUKOAKNSA-N 1 1 349.478 3.684 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)[C@@H](C)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000766964186 1132923539 /nfs/dbraw/zinc/92/35/39/1132923539.db2.gz PLTBQRDFXCUPJD-RBUKOAKNSA-N 1 1 349.478 3.684 20 30 EHEDMO CCCCCCCC[N@H+]1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 ZINC001176674055 1132980581 /nfs/dbraw/zinc/98/05/81/1132980581.db2.gz CFWFYKLEDIYLIG-IBGZPJMESA-N 1 1 342.524 3.699 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000746486121 1132998643 /nfs/dbraw/zinc/99/86/43/1132998643.db2.gz IFAHWOSAAQDQLM-SFHVURJKSA-N 1 1 346.446 3.556 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000746486121 1132998646 /nfs/dbraw/zinc/99/86/46/1132998646.db2.gz IFAHWOSAAQDQLM-SFHVURJKSA-N 1 1 346.446 3.556 20 30 EHEDMO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001176813424 1133001935 /nfs/dbraw/zinc/00/19/35/1133001935.db2.gz APZPPQVIFSQWNW-NSHDSACASA-N 1 1 332.753 3.948 20 30 EHEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001176813424 1133001941 /nfs/dbraw/zinc/00/19/41/1133001941.db2.gz APZPPQVIFSQWNW-NSHDSACASA-N 1 1 332.753 3.948 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCCO2)c(Br)c1 ZINC001176927866 1133010135 /nfs/dbraw/zinc/01/01/35/1133010135.db2.gz ZGQVMCCTYJDOQE-IRXDYDNUSA-N 1 1 349.272 3.854 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)c(Br)c1 ZINC001176927866 1133010141 /nfs/dbraw/zinc/01/01/41/1133010141.db2.gz ZGQVMCCTYJDOQE-IRXDYDNUSA-N 1 1 349.272 3.854 20 30 EHEDMO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000767726915 1133043986 /nfs/dbraw/zinc/04/39/86/1133043986.db2.gz BPCWCGYHSGAMHQ-QFIPXVFZSA-N 1 1 332.447 3.998 20 30 EHEDMO COc1cccc2cc(C[NH+]3CCN(c4ccccc4C#N)CC3)oc21 ZINC000768240683 1133112358 /nfs/dbraw/zinc/11/23/58/1133112358.db2.gz CKCJGGMTTLIEGO-UHFFFAOYSA-N 1 1 347.418 3.635 20 30 EHEDMO N#Cc1c(F)cccc1N1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000768842567 1133191589 /nfs/dbraw/zinc/19/15/89/1133191589.db2.gz ZKIWRUWBXHHJPH-UHFFFAOYSA-N 1 1 346.409 3.568 20 30 EHEDMO C=C1CC=C(F)C=C1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001178732509 1133194203 /nfs/dbraw/zinc/19/42/03/1133194203.db2.gz XWPFBMAQGCQRQQ-CRAIPNDOSA-N 1 1 326.415 3.568 20 30 EHEDMO C[C@H](C#N)Oc1ccc(CN2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000768913485 1133202141 /nfs/dbraw/zinc/20/21/41/1133202141.db2.gz KHCQDAFOZBGFGI-AJYBTWMASA-N 1 1 341.499 3.815 20 30 EHEDMO Cc1nc2sccn2c1C[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769309220 1133258596 /nfs/dbraw/zinc/25/85/96/1133258596.db2.gz SSXWLDAQKNWSBH-CYBMUJFWSA-N 1 1 340.452 3.627 20 30 EHEDMO Cc1nc2sccn2c1C[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769309220 1133258600 /nfs/dbraw/zinc/25/86/00/1133258600.db2.gz SSXWLDAQKNWSBH-CYBMUJFWSA-N 1 1 340.452 3.627 20 30 EHEDMO C=CC[N@@H+](Cc1cc(C(=O)OC)c(CC)o1)Cc1ccc(OC)cc1 ZINC001179966507 1133314746 /nfs/dbraw/zinc/31/47/46/1133314746.db2.gz NEVKWQBVHGRORS-UHFFFAOYSA-N 1 1 343.423 3.825 20 30 EHEDMO C=CC[N@H+](Cc1cc(C(=O)OC)c(CC)o1)Cc1ccc(OC)cc1 ZINC001179966507 1133314749 /nfs/dbraw/zinc/31/47/49/1133314749.db2.gz NEVKWQBVHGRORS-UHFFFAOYSA-N 1 1 343.423 3.825 20 30 EHEDMO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1C[C@H](C)CCC#N ZINC001180113313 1133332850 /nfs/dbraw/zinc/33/28/50/1133332850.db2.gz UHMYKIVZVKZYAK-LVCYWYKZSA-N 1 1 342.531 3.862 20 30 EHEDMO Cc1cccc(F)c1N=NC(C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000769827685 1133353697 /nfs/dbraw/zinc/35/36/97/1133353697.db2.gz HRHBXIHRJRNGES-IBGZPJMESA-N 1 1 341.430 3.823 20 30 EHEDMO Cc1cccc(F)c1N=NC(C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000769827685 1133353704 /nfs/dbraw/zinc/35/37/04/1133353704.db2.gz HRHBXIHRJRNGES-IBGZPJMESA-N 1 1 341.430 3.823 20 30 EHEDMO C[C@H](C(=O)Nc1cc(-c2ccc(F)cc2)sc1C#N)[NH+]1CCCC1 ZINC001180575114 1133388409 /nfs/dbraw/zinc/38/84/09/1133388409.db2.gz FXRYSSZJOBJZMX-GFCCVEGCSA-N 1 1 343.427 3.849 20 30 EHEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000770330812 1133406279 /nfs/dbraw/zinc/40/62/79/1133406279.db2.gz BBIHVSNGAFOANT-QGZVFWFLSA-N 1 1 343.467 3.642 20 30 EHEDMO C#C[C@H]([NH2+][C@@H]1C[C@H](OCC)[C@H]1SC)c1ccc(Cl)cc1F ZINC001181697674 1133519385 /nfs/dbraw/zinc/51/93/85/1133519385.db2.gz MKBKDIKGZKJXCW-FZKCQIBNSA-N 1 1 327.852 3.652 20 30 EHEDMO C=CCOc1ccccc1[C@@H](C)NC(=O)CC[N@H+](C)CCCCC ZINC001181869638 1133543516 /nfs/dbraw/zinc/54/35/16/1133543516.db2.gz ZDQRZGFXHNZQFU-QGZVFWFLSA-N 1 1 332.488 3.941 20 30 EHEDMO N#Cc1ccc(OC2C[NH+](Cc3ccc4ccccc4c3O)C2)cc1 ZINC001182215626 1133596984 /nfs/dbraw/zinc/59/69/84/1133596984.db2.gz GJPHPAFJAYKPLZ-UHFFFAOYSA-N 1 1 330.387 3.680 20 30 EHEDMO Oc1c(Cl)cc(Cl)cc1/C=N\CC1CC[NH+](C2CC2)CC1 ZINC000772156055 1133653011 /nfs/dbraw/zinc/65/30/11/1133653011.db2.gz UPTZZORJLJQWAJ-GRSHGNNSSA-N 1 1 327.255 3.992 20 30 EHEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(N[C@H]3CCC[C@@H](C#N)C3)cc2)C1 ZINC000774317576 1133659721 /nfs/dbraw/zinc/65/97/21/1133659721.db2.gz ZEGKKNZUWJTGEQ-LMMKCTJWSA-N 1 1 327.472 3.901 20 30 EHEDMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)OCc1ccc(Cl)cc1C#N ZINC000772243866 1133665222 /nfs/dbraw/zinc/66/52/22/1133665222.db2.gz JOAKJMXZWBVBSU-UHFFFAOYSA-N 1 1 334.847 3.908 20 30 EHEDMO C#C[C@H](C)[NH2+][C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000774477600 1133686277 /nfs/dbraw/zinc/68/62/77/1133686277.db2.gz NIQJPZYYHVFKBE-GUYCJALGSA-N 1 1 346.352 3.997 20 30 EHEDMO C#CC[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)[C@@H]1CCc2ccccc21 ZINC000772598207 1133707187 /nfs/dbraw/zinc/70/71/87/1133707187.db2.gz JOSRDHZPGCUFFW-JOCHJYFZSA-N 1 1 344.458 3.702 20 30 EHEDMO C[N@H+](Cc1ccc2ccccc2c1O)C[C@H](O)c1cccc(C#N)c1 ZINC001182764850 1133730733 /nfs/dbraw/zinc/73/07/33/1133730733.db2.gz QCSRTRSTHIISGM-FQEVSTJZSA-N 1 1 332.403 3.582 20 30 EHEDMO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC001170050782 1133754848 /nfs/dbraw/zinc/75/48/48/1133754848.db2.gz DNQLBKLOZMGHAR-KRWDZBQOSA-N 1 1 335.492 3.840 20 30 EHEDMO C[C@@H](C#N)c1ccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001183569939 1133825137 /nfs/dbraw/zinc/82/51/37/1133825137.db2.gz VVMVCPIHKKZHCX-QFBILLFUSA-N 1 1 333.435 3.774 20 30 EHEDMO CC[C@@H](CC#N)OC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000787086551 1133948930 /nfs/dbraw/zinc/94/89/30/1133948930.db2.gz QICVCLSHYVKEIY-APWZRJJASA-N 1 1 328.456 3.565 20 30 EHEDMO C[NH+](C)[C@@H](CNc1cccc(C#N)c1[N+](=O)[O-])c1ccccc1Cl ZINC001184563768 1133958251 /nfs/dbraw/zinc/95/82/51/1133958251.db2.gz KFGSCFDMQMTUGI-INIZCTEOSA-N 1 1 344.802 3.835 20 30 EHEDMO C=CC[N@H+](Cc1cc(Br)nn1C)CC1CCCCC1 ZINC000787179881 1133968303 /nfs/dbraw/zinc/96/83/03/1133968303.db2.gz SIEDIOLFDWFPDV-UHFFFAOYSA-N 1 1 326.282 3.751 20 30 EHEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)nc1 ZINC000788021783 1134074069 /nfs/dbraw/zinc/07/40/69/1134074069.db2.gz ILYDDNJVAFMAKF-IBGZPJMESA-N 1 1 349.459 3.751 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)Cn2ccc(=S)c3ccccc32)n1 ZINC000788369893 1134118512 /nfs/dbraw/zinc/11/85/12/1134118512.db2.gz NMNMIPCHPKMYRP-UHFFFAOYSA-N 1 1 336.464 3.680 20 30 EHEDMO c1ccc(C[N@@H+]2C[C@@H]3CCCC(=NNCCc4ccncc4)[C@@H]3C2)cc1 ZINC000789094639 1134225135 /nfs/dbraw/zinc/22/51/35/1134225135.db2.gz UUEXLEAQHOYJSF-LEWJYISDSA-N 1 1 348.494 3.502 20 30 EHEDMO C[C@@H]1CN(c2cc(Br)ccc2C#N)CC[N@H+]1C1CCCC1 ZINC001187624861 1134357759 /nfs/dbraw/zinc/35/77/59/1134357759.db2.gz KPDKCCSXZONWGB-CYBMUJFWSA-N 1 1 348.288 3.774 20 30 EHEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000775183418 1134488160 /nfs/dbraw/zinc/48/81/60/1134488160.db2.gz LUBJQJYOZCMCHN-SECBINFHSA-N 1 1 331.051 3.665 20 30 EHEDMO C#C[C@@H](CCC)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000791201582 1134515548 /nfs/dbraw/zinc/51/55/48/1134515548.db2.gz HDILVMBCILTLOD-NRFANRHFSA-N 1 1 334.463 3.850 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(C(F)F)c2)c1 ZINC000791448397 1134552839 /nfs/dbraw/zinc/55/28/39/1134552839.db2.gz KYPDRLNNYLWRRN-UHFFFAOYSA-N 1 1 328.362 3.676 20 30 EHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(C(F)F)c2)c1 ZINC000791448397 1134552842 /nfs/dbraw/zinc/55/28/42/1134552842.db2.gz KYPDRLNNYLWRRN-UHFFFAOYSA-N 1 1 328.362 3.676 20 30 EHEDMO CC[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000792265272 1134675626 /nfs/dbraw/zinc/67/56/26/1134675626.db2.gz MPIGTEDRIMJYKY-RTBURBONSA-N 1 1 342.483 3.663 20 30 EHEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@@H](C)Cc3ccccc3Cl)C2)C1=O ZINC001170278663 1134740332 /nfs/dbraw/zinc/74/03/32/1134740332.db2.gz WUTWELXMZXNMPZ-OXJNMPFZSA-N 1 1 346.902 3.772 20 30 EHEDMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC001170354807 1134753759 /nfs/dbraw/zinc/75/37/59/1134753759.db2.gz PLPOKNFHIGLRTI-CQSZACIVSA-N 1 1 339.395 3.538 20 30 EHEDMO CCN1CCC([N@@H+](C)C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170389225 1134763353 /nfs/dbraw/zinc/76/33/53/1134763353.db2.gz NIBLVVZPFQUWGP-UHFFFAOYSA-N 1 1 325.500 3.807 20 30 EHEDMO CCOC(=O)[C@H]1CCCC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170389419 1134763439 /nfs/dbraw/zinc/76/34/39/1134763439.db2.gz RTVYCSFEDRGFOB-OBXNSHGQSA-N 1 1 340.467 3.808 20 30 EHEDMO Cc1noc([C@H]2CC[N@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)n1 ZINC001170395416 1134763960 /nfs/dbraw/zinc/76/39/60/1134763960.db2.gz JSAMUEIWUWOYPJ-VQSBYGRUSA-N 1 1 336.439 3.572 20 30 EHEDMO CC(C)CN1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170384383 1134767683 /nfs/dbraw/zinc/76/76/83/1134767683.db2.gz WNEOBGAXVBKWSS-UHFFFAOYSA-N 1 1 325.500 3.664 20 30 EHEDMO COCCC[N@@H+](CCc1ccc(OC)cc1)CC1CCC(C#N)CC1 ZINC001190954865 1134776253 /nfs/dbraw/zinc/77/62/53/1134776253.db2.gz QURRJFXJMDLDRG-UHFFFAOYSA-N 1 1 344.499 3.906 20 30 EHEDMO C#CC[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000792877018 1134811313 /nfs/dbraw/zinc/81/13/13/1134811313.db2.gz PLOZTZSGKCLHHF-PKTZIBPZSA-N 1 1 348.490 3.632 20 30 EHEDMO C#CC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1 ZINC000792877018 1134811320 /nfs/dbraw/zinc/81/13/20/1134811320.db2.gz PLOZTZSGKCLHHF-PKTZIBPZSA-N 1 1 348.490 3.632 20 30 EHEDMO COc1cccc(/C=N/C[C@@H](c2ccccc2Cl)[NH+](C)C)c1O ZINC000005291755 1134920475 /nfs/dbraw/zinc/92/04/75/1134920475.db2.gz AUNNMGSYMPALPP-YODDIOPGSA-N 1 1 332.831 3.776 20 30 EHEDMO COC[C@H]([NH2+]Cc1cc(Cl)cc(C#N)c1)c1ccc(F)c(F)c1 ZINC001192565831 1135030510 /nfs/dbraw/zinc/03/05/10/1135030510.db2.gz OIRYISIUOWSUFE-KRWDZBQOSA-N 1 1 336.769 3.967 20 30 EHEDMO N#Cc1ccnc(C[N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001193103302 1135101562 /nfs/dbraw/zinc/10/15/62/1135101562.db2.gz GNZHJZPPZDMCJU-OAHLLOKOSA-N 1 1 331.341 3.962 20 30 EHEDMO C#CC(C)(C)[N@@H+](C)CCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC001193363474 1135131047 /nfs/dbraw/zinc/13/10/47/1135131047.db2.gz GAQASXMKUWGIGC-UHFFFAOYSA-N 1 1 348.446 3.590 20 30 EHEDMO N#CC1(NC(=O)OC2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001193650621 1135166656 /nfs/dbraw/zinc/16/66/56/1135166656.db2.gz HAZXARYPJKTRAW-UHFFFAOYSA-N 1 1 341.455 3.604 20 30 EHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cncc(C#N)c2)c1 ZINC001194114044 1135228464 /nfs/dbraw/zinc/22/84/64/1135228464.db2.gz NNNKJOVCFQADKY-UHFFFAOYSA-N 1 1 345.406 3.574 20 30 EHEDMO CCCCCCOC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001194204426 1135243796 /nfs/dbraw/zinc/24/37/96/1135243796.db2.gz XLQRSRVMFSVSPJ-UHFFFAOYSA-N 1 1 343.471 3.851 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)CC1([C@@H]2CCCCO2)CCC1 ZINC001194250231 1135249922 /nfs/dbraw/zinc/24/99/22/1135249922.db2.gz BBZPSSGJOYRQGY-IBGZPJMESA-N 1 1 333.472 3.889 20 30 EHEDMO CCCCCCCCOC(=O)N1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001194740820 1135308224 /nfs/dbraw/zinc/30/82/24/1135308224.db2.gz QRXNGORPRGNKAS-UHFFFAOYSA-N 1 1 339.480 3.614 20 30 EHEDMO C#CC[N@@H+](Cc1nc2cc(Br)ccc2[nH]1)C1CCCC1 ZINC000775612542 1135322808 /nfs/dbraw/zinc/32/28/08/1135322808.db2.gz FCGAWFZENQIUNU-UHFFFAOYSA-N 1 1 332.245 3.703 20 30 EHEDMO C#CC[N@H+](Cc1nc2cc(Br)ccc2[nH]1)C1CCCC1 ZINC000775612542 1135322814 /nfs/dbraw/zinc/32/28/14/1135322814.db2.gz FCGAWFZENQIUNU-UHFFFAOYSA-N 1 1 332.245 3.703 20 30 EHEDMO Clc1ccccc1C#CC[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC001194836007 1135328247 /nfs/dbraw/zinc/32/82/47/1135328247.db2.gz XLYARTLUUYXDHM-IBGZPJMESA-N 1 1 336.866 3.829 20 30 EHEDMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000775626988 1135350774 /nfs/dbraw/zinc/35/07/74/1135350774.db2.gz OYTNPCCBUCHLDH-OAHLLOKOSA-N 1 1 345.487 3.833 20 30 EHEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC001195463914 1135426917 /nfs/dbraw/zinc/42/69/17/1135426917.db2.gz PGMLRFGEUIQTBR-HXUWFJFHSA-N 1 1 346.474 3.951 20 30 EHEDMO C#CC[N@@H+](Cc1cn(C)nc1-c1ccccc1)Cc1ccc(F)cc1 ZINC000775663437 1135438484 /nfs/dbraw/zinc/43/84/84/1135438484.db2.gz BKXVMCPSKPLJKC-UHFFFAOYSA-N 1 1 333.410 3.862 20 30 EHEDMO C#CC[N@H+](Cc1cn(C)nc1-c1ccccc1)Cc1ccc(F)cc1 ZINC000775663437 1135438490 /nfs/dbraw/zinc/43/84/90/1135438490.db2.gz BKXVMCPSKPLJKC-UHFFFAOYSA-N 1 1 333.410 3.862 20 30 EHEDMO COc1ccc(N(C)CC[N@@H+](C)Cc2c(C)cc(C#N)cc2C)cc1 ZINC001195790227 1135469966 /nfs/dbraw/zinc/46/99/66/1135469966.db2.gz QVNIQXRWKUDWBT-UHFFFAOYSA-N 1 1 337.467 3.752 20 30 EHEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H](C4CCCCC4)C3)C2=O)cc1 ZINC001195894641 1135482007 /nfs/dbraw/zinc/48/20/07/1135482007.db2.gz WHIGXOXHMMOQKG-ICSRJNTNSA-N 1 1 337.467 3.566 20 30 EHEDMO C#C[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1F ZINC000807689442 1135562689 /nfs/dbraw/zinc/56/26/89/1135562689.db2.gz RJTYUZRTLYBVIL-PBHICJAKSA-N 1 1 336.838 3.534 20 30 EHEDMO CC[N@@H+](CC#Cc1cccc(Cl)c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC001196526675 1135574127 /nfs/dbraw/zinc/57/41/27/1135574127.db2.gz QPBQLAQTOVKKKH-INIZCTEOSA-N 1 1 344.808 3.650 20 30 EHEDMO Cc1[nH+]ccn1Cc1ccc(NC(=S)Nc2cccc(C#N)c2)cc1 ZINC001197712839 1135729632 /nfs/dbraw/zinc/72/96/32/1135729632.db2.gz WKWKATXXXWMVOL-UHFFFAOYSA-N 1 1 347.447 3.920 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1C ZINC000747530969 1135745536 /nfs/dbraw/zinc/74/55/36/1135745536.db2.gz SETPJQZHWXWKFE-ICSRJNTNSA-N 1 1 339.483 3.815 20 30 EHEDMO C#CC[N@@H+](C[C@H]1CC2(CO1)CCOCC2)[C@@H]1CCCc2ccccc21 ZINC001198105306 1135776574 /nfs/dbraw/zinc/77/65/74/1135776574.db2.gz WSPATRHWPANYNN-TZIWHRDSSA-N 1 1 339.479 3.585 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[N@H+](CCCCC2(C#N)CCC2)[C@H]2C[C@H]21 ZINC001198389535 1135808645 /nfs/dbraw/zinc/80/86/45/1135808645.db2.gz VGCQFIIPSKOTCR-JKSUJKDBSA-N 1 1 333.476 3.544 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[N@@H+](CCCCC2(C#N)CCC2)[C@H]2C[C@H]21 ZINC001198389535 1135808651 /nfs/dbraw/zinc/80/86/51/1135808651.db2.gz VGCQFIIPSKOTCR-JKSUJKDBSA-N 1 1 333.476 3.544 20 30 EHEDMO CCCCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1COC ZINC001198575886 1135832758 /nfs/dbraw/zinc/83/27/58/1135832758.db2.gz YYVMEVRNODGGJP-QGZVFWFLSA-N 1 1 342.524 3.915 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001198676505 1135846727 /nfs/dbraw/zinc/84/67/27/1135846727.db2.gz SCQNZBDFFWNOEQ-WMZOPIPTSA-N 1 1 334.847 3.776 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1 ZINC000809594835 1135860036 /nfs/dbraw/zinc/86/00/36/1135860036.db2.gz BEORHIPBJVFQHT-MAUKXSAKSA-N 1 1 328.456 3.546 20 30 EHEDMO CC(C)c1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC001198844437 1135860300 /nfs/dbraw/zinc/86/03/00/1135860300.db2.gz LSPBLCOGYPIJHR-HRAATJIYSA-N 1 1 341.499 3.611 20 30 EHEDMO CC(C)c1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC001198844437 1135860304 /nfs/dbraw/zinc/86/03/04/1135860304.db2.gz LSPBLCOGYPIJHR-HRAATJIYSA-N 1 1 341.499 3.611 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1 ZINC000809660155 1135864861 /nfs/dbraw/zinc/86/48/61/1135864861.db2.gz CPHPNRYQEYUAHS-SFHVURJKSA-N 1 1 342.483 3.795 20 30 EHEDMO C=CCCn1cc(C[NH2+]Cc2cccc(COc3ccccc3)c2)nn1 ZINC001199618242 1135914832 /nfs/dbraw/zinc/91/48/32/1135914832.db2.gz CDDGUVLGPHAOKN-UHFFFAOYSA-N 1 1 348.450 3.723 20 30 EHEDMO C=CCc1cc(OC)ccc1OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810526005 1135969835 /nfs/dbraw/zinc/96/98/35/1135969835.db2.gz CRFIIQGWQWNUMR-IBGZPJMESA-N 1 1 335.419 3.542 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001201804466 1136064210 /nfs/dbraw/zinc/06/42/10/1136064210.db2.gz KQRIYXQOTLMIFV-LJQANCHMSA-N 1 1 340.508 3.669 20 30 EHEDMO CCCCCCC[N@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001201776939 1136065706 /nfs/dbraw/zinc/06/57/06/1136065706.db2.gz PPJVGVGWLUYYQB-GBESFXJTSA-N 1 1 332.488 3.910 20 30 EHEDMO CCCCCCCCCC[N@@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001201852539 1136066553 /nfs/dbraw/zinc/06/65/53/1136066553.db2.gz CJFUUYVOCPIQHV-GOSISDBHSA-N 1 1 336.524 3.984 20 30 EHEDMO CCCCCCCCCC[N@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001201852539 1136066557 /nfs/dbraw/zinc/06/65/57/1136066557.db2.gz CJFUUYVOCPIQHV-GOSISDBHSA-N 1 1 336.524 3.984 20 30 EHEDMO C[C@H]1C(N=Nc2ncnc3sccc32)CC[N@H+]1Cc1ccccc1 ZINC000811635880 1136114498 /nfs/dbraw/zinc/11/44/98/1136114498.db2.gz PCKYAAFWMRKXGY-ZDUSSCGKSA-N 1 1 337.452 3.754 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2nc3cc(Br)ccc3o2)cc1 ZINC000813332279 1136319392 /nfs/dbraw/zinc/31/93/92/1136319392.db2.gz TWLJVVMWGQVTCE-UHFFFAOYSA-N 1 1 342.196 3.752 20 30 EHEDMO C[C@H]1C[C@H](C[N@H+](CC#N)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC000813337020 1136320073 /nfs/dbraw/zinc/32/00/73/1136320073.db2.gz VAGKSBCZLWFVII-JKSUJKDBSA-N 1 1 335.492 3.790 20 30 EHEDMO C[C@H]1C[C@H](C[N@@H+](CC#N)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC000813337020 1136320076 /nfs/dbraw/zinc/32/00/76/1136320076.db2.gz VAGKSBCZLWFVII-JKSUJKDBSA-N 1 1 335.492 3.790 20 30 EHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000851737639 1136403193 /nfs/dbraw/zinc/40/31/93/1136403193.db2.gz KAFQLIVJPTYVQJ-SFHVURJKSA-N 1 1 344.474 3.546 20 30 EHEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000851803796 1136409265 /nfs/dbraw/zinc/40/92/65/1136409265.db2.gz UQVNFNKJBDYJDC-ROUUACIJSA-N 1 1 326.465 3.750 20 30 EHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000216823974 1136420989 /nfs/dbraw/zinc/42/09/89/1136420989.db2.gz RVXGPQDXQNQPDA-LBPRGKRZSA-N 1 1 330.350 3.810 20 30 EHEDMO CC(C)[N@@H+](CCC(=O)OCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000776578089 1136443466 /nfs/dbraw/zinc/44/34/66/1136443466.db2.gz DHJQQMGIVPNZCD-UHFFFAOYSA-N 1 1 336.435 3.902 20 30 EHEDMO CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000776580754 1136445473 /nfs/dbraw/zinc/44/54/73/1136445473.db2.gz ZUAACSNCAJQSMK-IFXJQAMLSA-N 1 1 339.395 3.583 20 30 EHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)cc1 ZINC000852298136 1136446155 /nfs/dbraw/zinc/44/61/55/1136446155.db2.gz UFZSRJSWMAANEY-UHFFFAOYSA-N 1 1 343.430 3.595 20 30 EHEDMO Cc1cc(C[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)c2ccccc2n1 ZINC000852328229 1136448945 /nfs/dbraw/zinc/44/89/45/1136448945.db2.gz AHDXDZTUJCOOEJ-JOCHJYFZSA-N 1 1 342.446 3.996 20 30 EHEDMO Cc1cc(C[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)c2ccccc2n1 ZINC000852328229 1136448946 /nfs/dbraw/zinc/44/89/46/1136448946.db2.gz AHDXDZTUJCOOEJ-JOCHJYFZSA-N 1 1 342.446 3.996 20 30 EHEDMO C[C@@H](COc1ccccc1)N[NH+]=C1CC(C)(C)Oc2ccc(N)cc21 ZINC000814935259 1136526933 /nfs/dbraw/zinc/52/69/33/1136526933.db2.gz JWEITPNNPQGJFP-AWEZNQCLSA-N 1 1 339.439 3.591 20 30 EHEDMO C#Cc1cccnc1NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000853464794 1136534397 /nfs/dbraw/zinc/53/43/97/1136534397.db2.gz ZFQZIOMLGWBDJC-CRAIPNDOSA-N 1 1 343.833 3.960 20 30 EHEDMO C=C(C)C[N@H+](C)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000815087544 1136549592 /nfs/dbraw/zinc/54/95/92/1136549592.db2.gz JVIPEVJWXXYZAL-AWEZNQCLSA-N 1 1 332.669 3.818 20 30 EHEDMO C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000815652499 1136626145 /nfs/dbraw/zinc/62/61/45/1136626145.db2.gz GBRKBMQXRYVWFB-HNNXBMFYSA-N 1 1 329.271 3.695 20 30 EHEDMO C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000815652499 1136626147 /nfs/dbraw/zinc/62/61/47/1136626147.db2.gz GBRKBMQXRYVWFB-HNNXBMFYSA-N 1 1 329.271 3.695 20 30 EHEDMO CC1CCC([N@@H+](CCOCCC#N)Cc2ccc3c(c2)OCO3)CC1 ZINC000338961960 1136633977 /nfs/dbraw/zinc/63/39/77/1136633977.db2.gz SQDMCLXSBMTJOA-UHFFFAOYSA-N 1 1 344.455 3.726 20 30 EHEDMO C[C@@H]1[C@@H](OC(=O)c2cccc(C#N)c2)CCC[N@H+]1Cc1ccccc1 ZINC000816468586 1136720231 /nfs/dbraw/zinc/72/02/31/1136720231.db2.gz JVKIRBYAUQKZIJ-UZLBHIALSA-N 1 1 334.419 3.768 20 30 EHEDMO C[C@H]1[C@@H](OC(=O)c2cccc(CC#N)c2)CCC[N@H+]1Cc1ccccc1 ZINC000816468984 1136720376 /nfs/dbraw/zinc/72/03/76/1136720376.db2.gz QGEMPVQXKXSBQB-UWJYYQICSA-N 1 1 348.446 3.963 20 30 EHEDMO C[C@H](CC#N)NN=C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000857211121 1136854304 /nfs/dbraw/zinc/85/43/04/1136854304.db2.gz AUAZINSKYAMRFR-YLJYHZDGSA-N 1 1 326.488 3.802 20 30 EHEDMO C[N@@H+](Cc1ccccc1)C1CCC(N=Nc2ncc(Cl)cn2)CC1 ZINC000857220391 1136854545 /nfs/dbraw/zinc/85/45/45/1136854545.db2.gz GDBCSJZNAWXXCE-UHFFFAOYSA-N 1 1 343.862 3.973 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001136098358 1136856525 /nfs/dbraw/zinc/85/65/25/1136856525.db2.gz CGTMPMKGTOCAQF-LJQANCHMSA-N 1 1 326.484 3.713 20 30 EHEDMO CN(CCC#N)c1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000858222290 1136950677 /nfs/dbraw/zinc/95/06/77/1136950677.db2.gz SDFGXPMMGRHAAP-NRFANRHFSA-N 1 1 340.515 3.533 20 30 EHEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000859252706 1137009831 /nfs/dbraw/zinc/00/98/31/1137009831.db2.gz RAWFYOZJAMZMDV-VQTJNVASSA-N 1 1 336.435 3.525 20 30 EHEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000821487387 1137029710 /nfs/dbraw/zinc/02/97/10/1137029710.db2.gz BXEYWZVVYLJXIR-CYBMUJFWSA-N 1 1 348.516 3.723 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1 ZINC000859928018 1137037288 /nfs/dbraw/zinc/03/72/88/1137037288.db2.gz XSYCKBZBSSTONR-SESVDKBCSA-N 1 1 345.446 3.622 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859931224 1137037487 /nfs/dbraw/zinc/03/74/87/1137037487.db2.gz MWYHYNNGFLRJJC-XFWGSAIBSA-N 1 1 345.446 3.621 20 30 EHEDMO N#CCc1cccc2c1CC[N@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C2 ZINC000860107365 1137044721 /nfs/dbraw/zinc/04/47/21/1137044721.db2.gz DUBJHTVDEIVNJE-LJQANCHMSA-N 1 1 344.817 3.637 20 30 EHEDMO C[C@H](c1noc([C@H]([NH3+])CCCC#N)n1)c1ccc(Br)cc1 ZINC000822996937 1137082666 /nfs/dbraw/zinc/08/26/66/1137082666.db2.gz RUDUSPHAVRGETE-GXFFZTMASA-N 1 1 349.232 3.678 20 30 EHEDMO C[C@H](c1noc([C@@H]([NH3+])CCCC#N)n1)c1ccc(Br)cc1 ZINC000822996936 1137082671 /nfs/dbraw/zinc/08/26/71/1137082671.db2.gz RUDUSPHAVRGETE-GWCFXTLKSA-N 1 1 349.232 3.678 20 30 EHEDMO N#CCCC[C@H]([NH3+])c1nc(C2(c3c(F)cccc3F)CCCC2)no1 ZINC000823216154 1137090843 /nfs/dbraw/zinc/09/08/43/1137090843.db2.gz QWCXYXULVUITGZ-AWEZNQCLSA-N 1 1 346.381 3.902 20 30 EHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823438814 1137099615 /nfs/dbraw/zinc/09/96/15/1137099615.db2.gz WSJPFRUVPBUFCD-DNVCBOLYSA-N 1 1 335.492 3.505 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000823616895 1137106756 /nfs/dbraw/zinc/10/67/56/1137106756.db2.gz DFBNZAXGHZSHGF-DOTOQJQBSA-N 1 1 343.471 3.808 20 30 EHEDMO C[C@@]1(C[NH2+]C2CCC(C)(C#N)CC2)CCN(Cc2ccccc2)C1 ZINC000824333168 1137132599 /nfs/dbraw/zinc/13/25/99/1137132599.db2.gz TYVSWZQUZFNVSS-CBNMVNINSA-N 1 1 325.500 3.961 20 30 EHEDMO Cc1c(F)nccc1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000862365283 1137140417 /nfs/dbraw/zinc/14/04/17/1137140417.db2.gz OJOGMVBMKWZOAY-UHFFFAOYSA-N 1 1 343.377 3.583 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)c(OC2CC2)c1)c1ccc(F)cc1 ZINC000862372883 1137141243 /nfs/dbraw/zinc/14/12/43/1137141243.db2.gz AIXFTFBNKYTCHG-GOSISDBHSA-N 1 1 325.383 3.840 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C1 ZINC000862444934 1137144957 /nfs/dbraw/zinc/14/49/57/1137144957.db2.gz JDLKITFMLWLDQS-INIZCTEOSA-N 1 1 340.467 3.829 20 30 EHEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc2c(Cl)cccc2cn1 ZINC001171069902 1137154912 /nfs/dbraw/zinc/15/49/12/1137154912.db2.gz ROQMUSFFGIWENM-INIZCTEOSA-N 1 1 347.846 3.527 20 30 EHEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(N2CCCC2=O)cc1 ZINC000794460361 1137163208 /nfs/dbraw/zinc/16/32/08/1137163208.db2.gz YENUAMVYGAIQOW-AWEZNQCLSA-N 1 1 337.398 3.675 20 30 EHEDMO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC001137028217 1137175524 /nfs/dbraw/zinc/17/55/24/1137175524.db2.gz FUPVNNXKYLDDSW-HXUWFJFHSA-N 1 1 334.419 3.632 20 30 EHEDMO CC[C@@H](c1ccc(F)cc1F)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369905 1137213328 /nfs/dbraw/zinc/21/33/28/1137213328.db2.gz OAYSHHCMZWGETI-RBUKOAKNSA-N 1 1 330.378 3.953 20 30 EHEDMO C=CC[C@@H](C)C(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001144016739 1137229021 /nfs/dbraw/zinc/22/90/21/1137229021.db2.gz CEWWRHIQIGWMDR-XLIONFOSSA-N 1 1 326.484 3.854 20 30 EHEDMO CC(C)(C)C#CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001144050446 1137231906 /nfs/dbraw/zinc/23/19/06/1137231906.db2.gz UEKNEYWMQXJVDL-GOSISDBHSA-N 1 1 346.902 3.860 20 30 EHEDMO CC(C)(C)C#CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001144050446 1137231908 /nfs/dbraw/zinc/23/19/08/1137231908.db2.gz UEKNEYWMQXJVDL-GOSISDBHSA-N 1 1 346.902 3.860 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)nc1 ZINC001144162881 1137246920 /nfs/dbraw/zinc/24/69/20/1137246920.db2.gz AVDZDRNOLIGGIE-HNNXBMFYSA-N 1 1 331.341 3.962 20 30 EHEDMO N=C(Nc1cc(N)c(C(F)(F)F)c[nH+]1)c1ccc2cc(O)ccc2c1 ZINC001171177137 1137287052 /nfs/dbraw/zinc/28/70/52/1137287052.db2.gz GEBCWGFILVMBSY-UHFFFAOYSA-N 1 1 346.312 3.578 20 30 EHEDMO COc1ccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c(OC)c1F ZINC001171186529 1137294488 /nfs/dbraw/zinc/29/44/88/1137294488.db2.gz SRSSHSAZQGUNSB-UHFFFAOYSA-N 1 1 340.354 3.739 20 30 EHEDMO CC(C)(C)OC(=O)c1ccccc1C[NH2+]Cc1ccc(C#N)s1 ZINC000865730898 1137307149 /nfs/dbraw/zinc/30/71/49/1137307149.db2.gz WKQNIDOJLBIAGK-UHFFFAOYSA-N 1 1 328.437 3.865 20 30 EHEDMO C#Cc1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001144578374 1137310713 /nfs/dbraw/zinc/31/07/13/1137310713.db2.gz BUXNDXUDAQNNLD-PKTZIBPZSA-N 1 1 330.475 3.622 20 30 EHEDMO C#Cc1ccc(C[N@H+](CC)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001144574026 1137311774 /nfs/dbraw/zinc/31/17/74/1137311774.db2.gz ZIUPWAZLNYWLNK-UHFFFAOYSA-N 1 1 342.483 3.889 20 30 EHEDMO N#Cc1ccccc1O[C@H]1CCCN(Cc2cc(F)c([O-])cc2F)C1 ZINC001144657860 1137323605 /nfs/dbraw/zinc/32/36/05/1137323605.db2.gz LCDVMLKSFKKTQA-HNNXBMFYSA-N 1 1 344.361 3.585 20 30 EHEDMO C#CCCOc1ccc(C[N@H+](Cc2cnn(CC)c2)C(C)C)cc1 ZINC000846055814 1137331059 /nfs/dbraw/zinc/33/10/59/1137331059.db2.gz OLCBWIPLRBSFBQ-UHFFFAOYSA-N 1 1 325.456 3.716 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cccc3cc[nH]c31)CC2 ZINC001144712583 1137333379 /nfs/dbraw/zinc/33/33/79/1137333379.db2.gz CFIHSLSEHGMHDE-NRFANRHFSA-N 1 1 337.467 3.701 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001171224780 1137350025 /nfs/dbraw/zinc/35/00/25/1137350025.db2.gz VABAWMNAZSFIDE-KKSFZXQISA-N 1 1 338.426 3.876 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001171231734 1137355388 /nfs/dbraw/zinc/35/53/88/1137355388.db2.gz MCNFBVCVUFVYOD-YSZBQJHXSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)N1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001171231734 1137355390 /nfs/dbraw/zinc/35/53/90/1137355390.db2.gz MCNFBVCVUFVYOD-YSZBQJHXSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001171231734 1137355392 /nfs/dbraw/zinc/35/53/92/1137355392.db2.gz MCNFBVCVUFVYOD-YSZBQJHXSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001171232512 1137357769 /nfs/dbraw/zinc/35/77/69/1137357769.db2.gz SWHYQOYVLIISFI-VGOFRKELSA-N 1 1 345.446 3.904 20 30 EHEDMO C[C@@H]([NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2)c1cccc(C#N)c1 ZINC000866559810 1137364574 /nfs/dbraw/zinc/36/45/74/1137364574.db2.gz LPEDFBVTWMBDTK-GFCCVEGCSA-N 1 1 348.372 3.961 20 30 EHEDMO N#Cc1cnccc1C[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000846949270 1137378247 /nfs/dbraw/zinc/37/82/47/1137378247.db2.gz MDFGXKVRZVPHCU-UHFFFAOYSA-N 1 1 328.419 3.881 20 30 EHEDMO C[C@@H](C#N)c1cccc(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2)c1 ZINC001148614988 1137429487 /nfs/dbraw/zinc/42/94/87/1137429487.db2.gz HNPXSRIQURTNTQ-KRWDZBQOSA-N 1 1 335.451 3.518 20 30 EHEDMO C=CCCC[C@H](C)[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1nccs1 ZINC000348119696 1137442699 /nfs/dbraw/zinc/44/26/99/1137442699.db2.gz JFTFQCIOBKHQEG-ARFHVFGLSA-N 1 1 325.497 3.732 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)NCC2CCC(C#N)CC2)cc1)C(C)C ZINC000282765093 1137446837 /nfs/dbraw/zinc/44/68/37/1137446837.db2.gz QOAQFVIATRVLLH-UHFFFAOYSA-N 1 1 341.499 3.977 20 30 EHEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001171488986 1137491208 /nfs/dbraw/zinc/49/12/08/1137491208.db2.gz BSHAQAIRYUPVLN-LBPRGKRZSA-N 1 1 337.217 3.593 20 30 EHEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)NCCc2c(C)cc(C)cc2C)C1 ZINC001171847010 1137515660 /nfs/dbraw/zinc/51/56/60/1137515660.db2.gz GHTBJRSGJNXTJC-LJQANCHMSA-N 1 1 328.500 3.559 20 30 EHEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCc3ccccc3C(C)(C)C2)cc1 ZINC001171906030 1137517846 /nfs/dbraw/zinc/51/78/46/1137517846.db2.gz HASITKRFBSUPIO-UHFFFAOYSA-N 1 1 346.474 3.832 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CC[C@H](C#N)C2)CC12CCCCC2 ZINC001172059812 1137528733 /nfs/dbraw/zinc/52/87/33/1137528733.db2.gz VVWNQYXRKNLTTA-IAGOWNOFSA-N 1 1 347.503 3.934 20 30 EHEDMO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H](C#N)C1)C2 ZINC001172103042 1137536302 /nfs/dbraw/zinc/53/63/02/1137536302.db2.gz SFUHVCLMTMTIDT-WCXIOVBPSA-N 1 1 333.476 3.543 20 30 EHEDMO Cc1ccc(C[NH+]2CCN([C@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172305202 1137545316 /nfs/dbraw/zinc/54/53/16/1137545316.db2.gz CINYABYGYWVJIX-LJQANCHMSA-N 1 1 333.479 3.616 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001172310864 1137545842 /nfs/dbraw/zinc/54/58/42/1137545842.db2.gz KIIJNADUFIDIOC-MOPGFXCFSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001172310864 1137545844 /nfs/dbraw/zinc/54/58/44/1137545844.db2.gz KIIJNADUFIDIOC-MOPGFXCFSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001172310864 1137545846 /nfs/dbraw/zinc/54/58/46/1137545846.db2.gz KIIJNADUFIDIOC-MOPGFXCFSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001172312798 1137546185 /nfs/dbraw/zinc/54/61/85/1137546185.db2.gz JNRJKMRBZAUDJJ-OFAXGOBFSA-N 1 1 345.490 3.553 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001172312798 1137546186 /nfs/dbraw/zinc/54/61/86/1137546186.db2.gz JNRJKMRBZAUDJJ-OFAXGOBFSA-N 1 1 345.490 3.553 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001172311845 1137546207 /nfs/dbraw/zinc/54/62/07/1137546207.db2.gz ZHBQCRZXQJKVFC-QMMLZNLJSA-N 1 1 325.500 3.828 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001172311845 1137546208 /nfs/dbraw/zinc/54/62/08/1137546208.db2.gz ZHBQCRZXQJKVFC-QMMLZNLJSA-N 1 1 325.500 3.828 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1Cc2cnc(-c3ccccc3)nc2C1 ZINC001172311391 1137546424 /nfs/dbraw/zinc/54/64/24/1137546424.db2.gz SHEKTZYYLKJZNH-INIZCTEOSA-N 1 1 340.430 3.962 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1Cc2cnc(-c3ccccc3)nc2C1 ZINC001172311391 1137546426 /nfs/dbraw/zinc/54/64/26/1137546426.db2.gz SHEKTZYYLKJZNH-INIZCTEOSA-N 1 1 340.430 3.962 20 30 EHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@H]2OCCN(C(C)=O)[C@H]2CC1 ZINC001172356400 1137554161 /nfs/dbraw/zinc/55/41/61/1137554161.db2.gz IJAWOPAIBBQPNM-SLFFLAALSA-N 1 1 338.536 3.837 20 30 EHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000872173074 1137575191 /nfs/dbraw/zinc/57/51/91/1137575191.db2.gz QCZCVIPMFRVTFS-LLVKDONJSA-N 1 1 331.725 3.822 20 30 EHEDMO N#Cc1ccc(C2(C(=O)O[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCCC2)cc1 ZINC000873527016 1137601763 /nfs/dbraw/zinc/60/17/63/1137601763.db2.gz MIGSCFLCAKLQLK-MOPGFXCFSA-N 1 1 338.451 3.540 20 30 EHEDMO COc1ccc(C[NH2+]Cc2csc(-c3ccco3)n2)cc1C#N ZINC000124896110 1137611834 /nfs/dbraw/zinc/61/18/34/1137611834.db2.gz LFCRBVSISJUBDJ-UHFFFAOYSA-N 1 1 325.393 3.573 20 30 EHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000125956048 1137652192 /nfs/dbraw/zinc/65/21/92/1137652192.db2.gz XGPGQKPHAQVKKZ-QMMMGPOBSA-N 1 1 336.304 3.607 20 30 EHEDMO COc1ccc(CCC[N@H+](C)Cc2cc(C#N)cnc2Cl)cc1 ZINC000876623298 1137657435 /nfs/dbraw/zinc/65/74/35/1137657435.db2.gz GHSAOPZBJGWPTR-UHFFFAOYSA-N 1 1 329.831 3.680 20 30 EHEDMO COc1ccc(CCC[N@@H+](C)Cc2cc(C#N)cnc2Cl)cc1 ZINC000876623298 1137657436 /nfs/dbraw/zinc/65/74/36/1137657436.db2.gz GHSAOPZBJGWPTR-UHFFFAOYSA-N 1 1 329.831 3.680 20 30 EHEDMO CCc1ccc([C@H](CNCc2cc(C#N)cnc2Cl)[NH+](C)C)cc1 ZINC000876884368 1137664583 /nfs/dbraw/zinc/66/45/83/1137664583.db2.gz HCWMHPPMDAKBOL-SFHVURJKSA-N 1 1 342.874 3.562 20 30 EHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 ZINC000876978120 1137666846 /nfs/dbraw/zinc/66/68/46/1137666846.db2.gz GZKSMBRLPIRBRJ-DLBZAZTESA-N 1 1 345.805 3.756 20 30 EHEDMO CC(C)(C)OC(=O)NCC1(C[N@@H+]2Cc3ccc(C#N)cc3C2)CCC1 ZINC000877619009 1137683155 /nfs/dbraw/zinc/68/31/55/1137683155.db2.gz LXFOAUCUHFSPLO-UHFFFAOYSA-N 1 1 341.455 3.569 20 30 EHEDMO CC(C)(C)OC(=O)NCC1(C[N@H+]2Cc3ccc(C#N)cc3C2)CCC1 ZINC000877619009 1137683156 /nfs/dbraw/zinc/68/31/56/1137683156.db2.gz LXFOAUCUHFSPLO-UHFFFAOYSA-N 1 1 341.455 3.569 20 30 EHEDMO C=CCCn1cc(C[N@H+]2CCC[C@@H](c3ccccc3OC)CC2)nn1 ZINC000877769557 1137688935 /nfs/dbraw/zinc/68/89/35/1137688935.db2.gz KNJRQQSPEXZUPE-QGZVFWFLSA-N 1 1 340.471 3.633 20 30 EHEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H](c3ccccc3OC)CC2)nn1 ZINC000877769557 1137688936 /nfs/dbraw/zinc/68/89/36/1137688936.db2.gz KNJRQQSPEXZUPE-QGZVFWFLSA-N 1 1 340.471 3.633 20 30 EHEDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)[nH]n1 ZINC000877783969 1137689831 /nfs/dbraw/zinc/68/98/31/1137689831.db2.gz LZLAIFAILFPSHZ-INIZCTEOSA-N 1 1 326.419 3.923 20 30 EHEDMO CC(C)c1cc([C@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)n[nH]1 ZINC000877783969 1137689832 /nfs/dbraw/zinc/68/98/32/1137689832.db2.gz LZLAIFAILFPSHZ-INIZCTEOSA-N 1 1 326.419 3.923 20 30 EHEDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n[nH]1 ZINC000877783969 1137689833 /nfs/dbraw/zinc/68/98/33/1137689833.db2.gz LZLAIFAILFPSHZ-INIZCTEOSA-N 1 1 326.419 3.923 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000877901141 1137694727 /nfs/dbraw/zinc/69/47/27/1137694727.db2.gz HSKLKRRNXHARRB-SJORKVTESA-N 1 1 338.373 3.701 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000877901141 1137694728 /nfs/dbraw/zinc/69/47/28/1137694728.db2.gz HSKLKRRNXHARRB-SJORKVTESA-N 1 1 338.373 3.701 20 30 EHEDMO CC[N@@H+](CCc1ccccc1)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000877970478 1137697529 /nfs/dbraw/zinc/69/75/29/1137697529.db2.gz PNOBUJXFKVNRMK-JOCHJYFZSA-N 1 1 334.463 3.992 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@H]1c1cc(C)no1)c1ccccc1 ZINC000877971880 1137697639 /nfs/dbraw/zinc/69/76/39/1137697639.db2.gz ROTFWNBXGRKMFN-QUCCMNQESA-N 1 1 337.423 3.561 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@@H]1c1cc(C)no1)c1ccccc1 ZINC000877971880 1137697640 /nfs/dbraw/zinc/69/76/40/1137697640.db2.gz ROTFWNBXGRKMFN-QUCCMNQESA-N 1 1 337.423 3.561 20 30 EHEDMO CC[N@@H+](C[C@@H]1CCC2(CCOCC2)CO1)[C@H](C)c1ccc(C#N)cc1 ZINC000877990721 1137698664 /nfs/dbraw/zinc/69/86/64/1137698664.db2.gz JXYHQIRIPRPKQO-XLIONFOSSA-N 1 1 342.483 3.917 20 30 EHEDMO C=CC[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000879032280 1137735958 /nfs/dbraw/zinc/73/59/58/1137735958.db2.gz QORJTEZOGASBHG-NSHDSACASA-N 1 1 348.790 3.696 20 30 EHEDMO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCc2cccc(C#N)c2)c(F)c1 ZINC000879434007 1137747772 /nfs/dbraw/zinc/74/77/72/1137747772.db2.gz BEKVTZRJUPUCAP-HNNXBMFYSA-N 1 1 339.414 3.507 20 30 EHEDMO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2Cl)no1 ZINC000879683500 1137755286 /nfs/dbraw/zinc/75/52/86/1137755286.db2.gz VUFKRICMDGGKSR-ALOPSCKCSA-N 1 1 341.842 3.794 20 30 EHEDMO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2Cl)no1 ZINC000879683500 1137755287 /nfs/dbraw/zinc/75/52/87/1137755287.db2.gz VUFKRICMDGGKSR-ALOPSCKCSA-N 1 1 341.842 3.794 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880234517 1137771674 /nfs/dbraw/zinc/77/16/74/1137771674.db2.gz FRDMIOSZSROFCY-CABCVRRESA-N 1 1 349.475 3.558 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000880234517 1137771675 /nfs/dbraw/zinc/77/16/75/1137771675.db2.gz FRDMIOSZSROFCY-CABCVRRESA-N 1 1 349.475 3.558 20 30 EHEDMO C=CCC1(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CCC1 ZINC000882395192 1137826311 /nfs/dbraw/zinc/82/63/11/1137826311.db2.gz RQZMBUCPJHHOLB-IBGZPJMESA-N 1 1 339.483 3.656 20 30 EHEDMO N#CCCCC[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000102400817 1137872973 /nfs/dbraw/zinc/87/29/73/1137872973.db2.gz HEYHJENRPOBRTE-HNNXBMFYSA-N 1 1 328.391 3.749 20 30 EHEDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C2(C#N)CCCCC2)c1 ZINC000110871709 1137903236 /nfs/dbraw/zinc/90/32/36/1137903236.db2.gz MVCZNLSJONMANT-UHFFFAOYSA-N 1 1 327.472 3.617 20 30 EHEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(OCc2ccccn2)c1 ZINC000112532456 1137908467 /nfs/dbraw/zinc/90/84/67/1137908467.db2.gz JYSSJGYQBODIOU-SJORKVTESA-N 1 1 334.423 3.755 20 30 EHEDMO C=CCCC[N@H+](C)CCC(=O)Nc1ccccc1Br ZINC000121038117 1137954610 /nfs/dbraw/zinc/95/46/10/1137954610.db2.gz MIHYHEHKSKQGNR-UHFFFAOYSA-N 1 1 325.250 3.676 20 30 EHEDMO Cc1ccccc1C[N@H+](Cc1ccccn1)C[C@H](O)CC1(C#N)CCC1 ZINC000886226480 1138061000 /nfs/dbraw/zinc/06/10/00/1138061000.db2.gz NAQUZCUGZGBCKZ-OAQYLSRUSA-N 1 1 349.478 3.837 20 30 EHEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1cnn(Cc2ccccc2)c1 ZINC000348373698 1138063181 /nfs/dbraw/zinc/06/31/81/1138063181.db2.gz IMIYDXBWGMTAII-HNNXBMFYSA-N 1 1 334.398 3.793 20 30 EHEDMO C#CC[C@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000886361833 1138071101 /nfs/dbraw/zinc/07/11/01/1138071101.db2.gz XFPZIFBAUWWOHW-LBPRGKRZSA-N 1 1 325.239 3.667 20 30 EHEDMO C[C@H]1CCC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C1 ZINC000072561468 1138105631 /nfs/dbraw/zinc/10/56/31/1138105631.db2.gz IGJDZDSUXACVNO-LSDHHAIUSA-N 1 1 331.485 3.751 20 30 EHEDMO CC[N@@H+](CCc1ccccc1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075639067 1138128689 /nfs/dbraw/zinc/12/86/89/1138128689.db2.gz NEHGWHKROBCJGA-UHFFFAOYSA-N 1 1 332.407 3.673 20 30 EHEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075745717 1138128780 /nfs/dbraw/zinc/12/87/80/1138128780.db2.gz KBRGJNZMONDKMX-DNVCBOLYSA-N 1 1 344.418 3.986 20 30 EHEDMO C=CCC1(O)CC[NH+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000886761556 1138134174 /nfs/dbraw/zinc/13/41/74/1138134174.db2.gz GNCOAMPLLSDHCW-AWEZNQCLSA-N 1 1 345.418 3.648 20 30 EHEDMO CC[N@@H+](CC1CCN(c2ccccn2)CC1)CC(C)(C)CCC#N ZINC000093564752 1138238679 /nfs/dbraw/zinc/23/86/79/1138238679.db2.gz SBDLHQVLYNSBJI-UHFFFAOYSA-N 1 1 328.504 3.950 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000123044990 1138265601 /nfs/dbraw/zinc/26/56/01/1138265601.db2.gz WYGBPLRJJAEIDU-PKOBYXMFSA-N 1 1 339.483 3.593 20 30 EHEDMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2-c2ccccc2C#N)CC[N@H+]1C ZINC000123878557 1138275837 /nfs/dbraw/zinc/27/58/37/1138275837.db2.gz PUXQVJZRQNWCME-AEFFLSMTSA-N 1 1 347.462 3.780 20 30 EHEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(OC(F)F)cc1 ZINC000264086900 1138416087 /nfs/dbraw/zinc/41/60/87/1138416087.db2.gz FKGVHIMVLKQJKX-UHFFFAOYSA-N 1 1 332.350 3.822 20 30 EHEDMO N#CC1(CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCOCC1 ZINC000337156113 1138481348 /nfs/dbraw/zinc/48/13/48/1138481348.db2.gz ONLSSHHMTAEYQZ-UHFFFAOYSA-N 1 1 343.427 3.660 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000337656848 1138635492 /nfs/dbraw/zinc/63/54/92/1138635492.db2.gz IKUCQRGXAATYIL-UHFFFAOYSA-N 1 1 348.406 3.969 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000337791852 1138668952 /nfs/dbraw/zinc/66/89/52/1138668952.db2.gz CGHQXNROHWCGMD-DLBZAZTESA-N 1 1 347.462 3.602 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000337791852 1138668954 /nfs/dbraw/zinc/66/89/54/1138668954.db2.gz CGHQXNROHWCGMD-DLBZAZTESA-N 1 1 347.462 3.602 20 30 EHEDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(OCC#N)cc2)C2CC2)cc1 ZINC000264990014 1138696257 /nfs/dbraw/zinc/69/62/57/1138696257.db2.gz MUACMAYPWXOTTC-UHFFFAOYSA-N 1 1 335.451 3.820 20 30 EHEDMO C=CCc1cc(C[NH2+]C(C)(C)c2ncc(C)s2)cc(OC)c1O ZINC000175983835 1139532870 /nfs/dbraw/zinc/53/28/70/1139532870.db2.gz ZJKQKDNMZOMUAD-UHFFFAOYSA-N 1 1 332.469 3.919 20 30 EHEDMO CC(C)CC[N@H+](CCC#N)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180077503 1139807206 /nfs/dbraw/zinc/80/72/06/1139807206.db2.gz ZFTKFFKHOGXLAG-UHFFFAOYSA-N 1 1 335.455 3.721 20 30 EHEDMO CC(C)CC[N@@H+](CCC#N)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180077503 1139807212 /nfs/dbraw/zinc/80/72/12/1139807212.db2.gz ZFTKFFKHOGXLAG-UHFFFAOYSA-N 1 1 335.455 3.721 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(F)c2F)c(C#N)c1C ZINC000181995497 1139943890 /nfs/dbraw/zinc/94/38/90/1139943890.db2.gz YQNQDCOBIMSMJA-GHMZBOCLSA-N 1 1 347.365 3.724 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182839791 1139996211 /nfs/dbraw/zinc/99/62/11/1139996211.db2.gz SFKMWWIGOQAYLQ-CYBMUJFWSA-N 1 1 328.382 3.869 20 30 EHEDMO C=CCC[C@H](NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)c1ccccc1 ZINC000183347915 1140031725 /nfs/dbraw/zinc/03/17/25/1140031725.db2.gz XBMVMCHSBRDBOL-AABGKKOBSA-N 1 1 341.499 3.820 20 30 EHEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2nnc3n2CCCC3)cc1 ZINC000183867782 1140062696 /nfs/dbraw/zinc/06/26/96/1140062696.db2.gz YOVISYHPLWNVAS-CQSZACIVSA-N 1 1 346.862 3.597 20 30 EHEDMO CC[C@@H](CC#N)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000184092078 1140079133 /nfs/dbraw/zinc/07/91/33/1140079133.db2.gz SPWAZGSDDVUSMS-SFHVURJKSA-N 1 1 331.423 3.716 20 30 EHEDMO C=C(C)C[C@H](C)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000185731838 1140167364 /nfs/dbraw/zinc/16/73/64/1140167364.db2.gz BOEOUKOQZMFICW-ICSRJNTNSA-N 1 1 328.500 3.959 20 30 EHEDMO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185854645 1140173844 /nfs/dbraw/zinc/17/38/44/1140173844.db2.gz PVHGEPLDNOCXLW-QGZVKYPTSA-N 1 1 325.500 3.815 20 30 EHEDMO CC[N@@H+](CCCCCS(=O)(=O)CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000190425478 1140403808 /nfs/dbraw/zinc/40/38/08/1140403808.db2.gz NCNHINWYNGIFNV-INIZCTEOSA-N 1 1 336.501 3.546 20 30 EHEDMO C[C@@H]1CSCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000190841840 1140420360 /nfs/dbraw/zinc/42/03/60/1140420360.db2.gz BSFKRKBREAXPRU-INIZCTEOSA-N 1 1 340.496 3.649 20 30 EHEDMO C[NH+](C)Cc1ccsc1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000268054565 1140875300 /nfs/dbraw/zinc/87/53/00/1140875300.db2.gz XLBOGGFOGRJNGG-UHFFFAOYSA-N 1 1 343.452 3.745 20 30 EHEDMO C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OCC ZINC000270140633 1141184488 /nfs/dbraw/zinc/18/44/88/1141184488.db2.gz GDOHJJXBEZOUTC-RLLQIKCJSA-N 1 1 344.499 3.527 20 30 EHEDMO N#CCCOCC[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000339168654 1141516747 /nfs/dbraw/zinc/51/67/47/1141516747.db2.gz IYYFSILZUIDMRO-HNNXBMFYSA-N 1 1 330.325 3.506 20 30 EHEDMO N#CCCOCC[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000339168654 1141516749 /nfs/dbraw/zinc/51/67/49/1141516749.db2.gz IYYFSILZUIDMRO-HNNXBMFYSA-N 1 1 330.325 3.506 20 30 EHEDMO N#Cc1cnc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(Cl)c1 ZINC000339236422 1141537228 /nfs/dbraw/zinc/53/72/28/1141537228.db2.gz PIUJTTHYCGQMBV-HNNXBMFYSA-N 1 1 330.819 3.839 20 30 EHEDMO N#Cc1csc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000348641454 1141560821 /nfs/dbraw/zinc/56/08/21/1141560821.db2.gz JKKJHKNOYAGULJ-FQEVSTJZSA-N 1 1 337.492 3.718 20 30 EHEDMO C=CCC[C@@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)c1ccccc1 ZINC000283247083 1141578750 /nfs/dbraw/zinc/57/87/50/1141578750.db2.gz VDGSPSHDPCJMHF-MRXNPFEDSA-N 1 1 330.863 3.993 20 30 EHEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@@H](C)[N@H+](C)C[C@@H]3C)c12 ZINC001164635755 719259043 /nfs/dbraw/zinc/25/90/43/719259043.db2.gz QJSZOGDHAICHJX-MNOVXSKESA-N 1 1 346.837 3.736 20 30 EHEDMO COc1cccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2C#N)c1 ZINC000198532344 1125468991 /nfs/dbraw/zinc/46/89/91/1125468991.db2.gz MSCIUYDYVUWUGV-HXUWFJFHSA-N 1 1 349.434 3.733 20 30 EHEDMO C=C(Br)C[N@@H+](CCC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729545290 1024657649 /nfs/dbraw/zinc/65/76/49/1024657649.db2.gz RZZUHRWAMSZKOF-ZDUSSCGKSA-N 1 1 347.297 3.616 20 30 EHEDMO C=C(Br)C[N@H+](CCC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729545290 1024657655 /nfs/dbraw/zinc/65/76/55/1024657655.db2.gz RZZUHRWAMSZKOF-ZDUSSCGKSA-N 1 1 347.297 3.616 20 30 EHEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(CC#N)cc1 ZINC000108930836 1014218584 /nfs/dbraw/zinc/21/85/84/1014218584.db2.gz RAPRYDSEZCYRRO-GOSISDBHSA-N 1 1 328.460 3.529 20 30 EHEDMO CC(C)(C#N)c1ccccc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000135244585 1032096087 /nfs/dbraw/zinc/09/60/87/1032096087.db2.gz CQEXOCZUKMJJQX-LJQANCHMSA-N 1 1 325.500 3.938 20 30 EHEDMO C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000430186579 1014659487 /nfs/dbraw/zinc/65/94/87/1014659487.db2.gz MINYPDIPOKTYKI-URVUXULASA-N 1 1 347.462 3.917 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)CN1C[C@H](c2ccccc2C)CC1=O ZINC000728198616 1014947262 /nfs/dbraw/zinc/94/72/62/1014947262.db2.gz NOLWFNLYERYSND-OAQYLSRUSA-N 1 1 348.490 3.999 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)CN1C[C@H](c2ccccc2C)CC1=O ZINC000728198616 1014947276 /nfs/dbraw/zinc/94/72/76/1014947276.db2.gz NOLWFNLYERYSND-OAQYLSRUSA-N 1 1 348.490 3.999 20 30 EHEDMO C[C@@H](CC[N@H+]1CCCN(c2ccc(C#N)cn2)CC1)CC(C)(C)C ZINC001208664289 1015155313 /nfs/dbraw/zinc/15/53/13/1015155313.db2.gz LERXMKKKCYRJIG-KRWDZBQOSA-N 1 1 328.504 3.928 20 30 EHEDMO Cc1cc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc(C#N)n1 ZINC000342786677 1015194919 /nfs/dbraw/zinc/19/49/19/1015194919.db2.gz LQTGKYPERKHWGD-QFIPXVFZSA-N 1 1 346.478 3.754 20 30 EHEDMO C[N@@H+](CCOc1cccc(C#N)c1)[C@H]1CCCN(c2ccccc2)C1 ZINC000471168459 1015201890 /nfs/dbraw/zinc/20/18/90/1015201890.db2.gz JHRSWNVEJDHATF-FQEVSTJZSA-N 1 1 335.451 3.538 20 30 EHEDMO CC1=C[C@@H](C)C[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000430274641 1015705561 /nfs/dbraw/zinc/70/55/61/1015705561.db2.gz FHCXLYIEIMMQGJ-GDBMZVCRSA-N 1 1 343.496 3.775 20 30 EHEDMO CC1=C[C@@H](C)C[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000430274641 1015705564 /nfs/dbraw/zinc/70/55/64/1015705564.db2.gz FHCXLYIEIMMQGJ-GDBMZVCRSA-N 1 1 343.496 3.775 20 30 EHEDMO C=CCCCC[N@H+]1CCc2c(c(COCC=C)nn2CC2CC2)C1 ZINC001209200098 1015936707 /nfs/dbraw/zinc/93/67/07/1015936707.db2.gz GQVDJMSXRKVGGO-UHFFFAOYSA-N 1 1 329.488 3.710 20 30 EHEDMO C=CCOc1cccc(C[N@@H+](CCOC)Cc2ccc(C#N)cc2)c1 ZINC000536682869 1032147210 /nfs/dbraw/zinc/14/72/10/1032147210.db2.gz YBMGGLMWJAKQJD-UHFFFAOYSA-N 1 1 336.435 3.772 20 30 EHEDMO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181405697 1016486100 /nfs/dbraw/zinc/48/61/00/1016486100.db2.gz ZJXQGSLROAUOJQ-OAHLLOKOSA-N 1 1 349.434 3.544 20 30 EHEDMO C[C@@H]([NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)N(C)CCC#N ZINC000070787137 1016583008 /nfs/dbraw/zinc/58/30/08/1016583008.db2.gz GQDSSNCUMMNCTQ-VHSXEESVSA-N 1 1 346.233 3.544 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@@H]2CCCc3cc(OC)ccc32)no1 ZINC000904634577 1032169210 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334.467 3.671 20 30 EHEDMO Cc1cc(C)c(C[S@](=O)Cc2c(C)cc(C#N)cc2C)c(C)[nH+]1 ZINC000905207610 1032384929 /nfs/dbraw/zinc/38/49/29/1032384929.db2.gz MJVVVCCLFCBTTM-HSZRJFAPSA-N 1 1 326.465 3.944 20 30 EHEDMO N#CC1(CN[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC1 ZINC000459754372 1032448382 /nfs/dbraw/zinc/44/83/82/1032448382.db2.gz MROZPKHQUGUHFL-LEWJYISDSA-N 1 1 349.453 3.687 20 30 EHEDMO N#CC1(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC1 ZINC000459754372 1032448385 /nfs/dbraw/zinc/44/83/85/1032448385.db2.gz MROZPKHQUGUHFL-LEWJYISDSA-N 1 1 349.453 3.687 20 30 EHEDMO N#Cc1cccc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c1F ZINC000536993788 1032466976 /nfs/dbraw/zinc/46/69/76/1032466976.db2.gz KJORFTNOZWUMEE-UHFFFAOYSA-N 1 1 327.378 3.913 20 30 EHEDMO C[N@@H+](CCc1cccc(Nc2ncc(C#N)cc2Cl)c1)C1CC1 ZINC000537046294 1032502053 /nfs/dbraw/zinc/50/20/53/1032502053.db2.gz BBVZASVORLCSPV-UHFFFAOYSA-N 1 1 326.831 3.987 20 30 EHEDMO N#CC1(CCC[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)CCOCC1 ZINC000377108286 1017334332 /nfs/dbraw/zinc/33/43/32/1017334332.db2.gz ZKGDZLBSIVLPKZ-GOSISDBHSA-N 1 1 348.874 3.894 20 30 EHEDMO COc1ccc(C[N@H+]2CCSC[C@H]2C2CC2)cc1OCCCC#N ZINC000449529590 1032702007 /nfs/dbraw/zinc/70/20/07/1032702007.db2.gz YFNIGZMKVBJIRC-KRWDZBQOSA-N 1 1 346.496 3.705 20 30 EHEDMO C[C@H]1C[C@@H](Nc2ccc(C#N)cc2CO)CC[N@H+]1Cc1ccccc1 ZINC000892848140 1017567840 /nfs/dbraw/zinc/56/78/40/1017567840.db2.gz RISCOJNKXZDZSM-JXFKEZNVSA-N 1 1 335.451 3.516 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)c(F)c1 ZINC000177401044 1017654382 /nfs/dbraw/zinc/65/43/82/1017654382.db2.gz QCLAFPQQAZMTRQ-OAHLLOKOSA-N 1 1 328.412 3.996 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)c(F)c1 ZINC000177401044 1017654386 /nfs/dbraw/zinc/65/43/86/1017654386.db2.gz QCLAFPQQAZMTRQ-OAHLLOKOSA-N 1 1 328.412 3.996 20 30 EHEDMO CCCCCCC[N@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C ZINC001167302011 1017661655 /nfs/dbraw/zinc/66/16/55/1017661655.db2.gz FAWLMADHFUPMBG-QGZVFWFLSA-N 1 1 332.488 3.954 20 30 EHEDMO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000528743309 1032719820 /nfs/dbraw/zinc/71/98/20/1032719820.db2.gz DUPHFSUCGINRFA-UXHICEINSA-N 1 1 338.426 3.999 20 30 EHEDMO C=CCCCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000472758244 1017745149 /nfs/dbraw/zinc/74/51/49/1017745149.db2.gz WSNCPJSAEVQYRH-PKOBYXMFSA-N 1 1 329.488 3.695 20 30 EHEDMO C=CCCCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000472758239 1017747171 /nfs/dbraw/zinc/74/71/71/1017747171.db2.gz WSNCPJSAEVQYRH-HKUYNNGSSA-N 1 1 329.488 3.695 20 30 EHEDMO C=CCCCCNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000472838860 1018223194 /nfs/dbraw/zinc/22/31/94/1018223194.db2.gz WZDLAMQNAQBYHC-UHFFFAOYSA-N 1 1 343.515 3.896 20 30 EHEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610351236 1018399450 /nfs/dbraw/zinc/39/94/50/1018399450.db2.gz ZGBDOECLGOFCQJ-APWZRJJASA-N 1 1 342.487 3.573 20 30 EHEDMO C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2C#Cc2ccccc2)CC[N@H+]1C ZINC000472880272 1018449552 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C=CCOc1ccc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cc1Cl ZINC000449558572 1032802266 /nfs/dbraw/zinc/80/22/66/1032802266.db2.gz WSJLFFRZAJVCEF-IXDOHACOSA-N 1 1 335.875 3.888 20 30 EHEDMO C[C@@H](CCNc1c(C#N)nnc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000379654632 1019028783 /nfs/dbraw/zinc/02/87/83/1019028783.db2.gz JFIRKNWPXVVIFJ-INIZCTEOSA-N 1 1 345.450 3.824 20 30 EHEDMO COc1cc(C#N)ccc1C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000120576900 1019065299 /nfs/dbraw/zinc/06/52/99/1019065299.db2.gz FUHWIETXAKSBQD-KRWDZBQOSA-N 1 1 342.464 3.810 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000120576900 1019065305 /nfs/dbraw/zinc/06/53/05/1019065305.db2.gz FUHWIETXAKSBQD-KRWDZBQOSA-N 1 1 342.464 3.810 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000610433347 1019088542 /nfs/dbraw/zinc/08/85/42/1019088542.db2.gz CUOUYNDCSKUEGX-HXUWFJFHSA-N 1 1 344.462 3.517 20 30 EHEDMO Cn1cc(-c2nc(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)cs2)cn1 ZINC000594032814 1032830148 /nfs/dbraw/zinc/83/01/48/1032830148.db2.gz QKVKBRJNPFPEEH-UHFFFAOYSA-N 1 1 349.463 3.584 20 30 EHEDMO CCCCCCCC[NH+]1CC2(C1)CC[C@@H](C(=O)N(CC)C(C)C)O2 ZINC001279870469 1019738532 /nfs/dbraw/zinc/73/85/32/1019738532.db2.gz GUPYVYASANKIHO-SFHVURJKSA-N 1 1 338.536 3.837 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H](CO)CC(C)(C)C ZINC000449589546 1032858460 /nfs/dbraw/zinc/85/84/60/1032858460.db2.gz SRAREBRSLIHJID-CQSZACIVSA-N 1 1 328.378 3.806 20 30 EHEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1Cl)C(=O)NC1(C#N)CCC1 ZINC000345122874 1019979069 /nfs/dbraw/zinc/97/90/69/1019979069.db2.gz APDZMSGZENBKHH-WDEREUQCSA-N 1 1 340.254 3.595 20 30 EHEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000175849435 1019981035 /nfs/dbraw/zinc/98/10/35/1019981035.db2.gz SWZLKLDJZDILFB-AEFFLSMTSA-N 1 1 342.464 3.587 20 30 EHEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1cccc(C#N)n1 ZINC000602453326 1032883734 /nfs/dbraw/zinc/88/37/34/1032883734.db2.gz KLBHOEBGPNZSKJ-UHFFFAOYSA-N 1 1 349.413 3.547 20 30 EHEDMO C=CCCCNC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000684119948 1020286905 /nfs/dbraw/zinc/28/69/05/1020286905.db2.gz QYBGGQQFKNQYOL-HSALFYBXSA-N 1 1 341.499 3.553 20 30 EHEDMO C=CCCC1(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000476127070 1032912278 /nfs/dbraw/zinc/91/22/78/1032912278.db2.gz AMZPTJVYKIEOIJ-NVXWUHKLSA-N 1 1 332.513 3.994 20 30 EHEDMO N#Cc1csc(CN2CCC[N@@H+](CCCc3ccccc3)CC2)c1 ZINC000157064543 1020668136 /nfs/dbraw/zinc/66/81/36/1020668136.db2.gz ITVKRQOPDXIUCA-UHFFFAOYSA-N 1 1 339.508 3.760 20 30 EHEDMO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)CCC#N ZINC000276325417 1021036763 /nfs/dbraw/zinc/03/67/63/1021036763.db2.gz PTZWTCCXVHHUCT-GFCCVEGCSA-N 1 1 327.350 3.658 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)CCC#N ZINC000276325417 1021036768 /nfs/dbraw/zinc/03/67/68/1021036768.db2.gz PTZWTCCXVHHUCT-GFCCVEGCSA-N 1 1 327.350 3.658 20 30 EHEDMO C=CCC1(C(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)CCOCC1 ZINC000581544136 1021069926 /nfs/dbraw/zinc/06/99/26/1021069926.db2.gz LXZRKXCMBKVEDO-UHFFFAOYSA-N 1 1 339.439 3.801 20 30 EHEDMO CC[C@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544251 1032953184 /nfs/dbraw/zinc/95/31/84/1032953184.db2.gz GQODPIHHVZCBIZ-ROUUACIJSA-N 1 1 335.536 3.576 20 30 EHEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1cnccc1C#N ZINC000094166365 1032955823 /nfs/dbraw/zinc/95/58/23/1032955823.db2.gz LPNPKKPMNYWVNR-UHFFFAOYSA-N 1 1 332.407 3.790 20 30 EHEDMO CCN(Cc1ccc(F)c(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546222811 1021211765 /nfs/dbraw/zinc/21/17/65/1021211765.db2.gz KNXKTYRFKKYKOG-FQEVSTJZSA-N 1 1 337.442 3.794 20 30 EHEDMO CC[N@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546222811 1021211774 /nfs/dbraw/zinc/21/17/74/1021211774.db2.gz KNXKTYRFKKYKOG-FQEVSTJZSA-N 1 1 337.442 3.794 20 30 EHEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546222811 1021211780 /nfs/dbraw/zinc/21/17/80/1021211780.db2.gz KNXKTYRFKKYKOG-FQEVSTJZSA-N 1 1 337.442 3.794 20 30 EHEDMO CCCCCCCC(=O)N1CC2(C1)C[NH+](CCCC(F)(F)F)C2 ZINC001270133919 1021295219 /nfs/dbraw/zinc/29/52/19/1021295219.db2.gz CHLYHXNYDFOZMQ-UHFFFAOYSA-N 1 1 334.426 3.834 20 30 EHEDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439447893 1021451066 /nfs/dbraw/zinc/45/10/66/1021451066.db2.gz GORMERIUWJDETN-MRXNPFEDSA-N 1 1 343.862 3.764 20 30 EHEDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000516536558 1021522755 /nfs/dbraw/zinc/52/27/55/1021522755.db2.gz BNABYSRYKUURTL-OAQYLSRUSA-N 1 1 342.483 3.899 20 30 EHEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897615795 1032986575 /nfs/dbraw/zinc/98/65/75/1032986575.db2.gz FDSZKGLDDKKYIB-LBPRGKRZSA-N 1 1 326.366 3.615 20 30 EHEDMO CCC[N@H+]1Cc2cccc(NC(=O)/C=C\c3ccccc3C#N)c2C1 ZINC000255365910 1021546751 /nfs/dbraw/zinc/54/67/51/1021546751.db2.gz UTXWBCPWPHPDOR-KHPPLWFESA-N 1 1 331.419 3.936 20 30 EHEDMO C=CCc1cc(C[N@@H+](C)CCc2ccc(F)cc2)cc(OC)c1O ZINC000510452875 1021566806 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N#CCC1CC[NH+](CC[S@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000541953187 1036888160 /nfs/dbraw/zinc/88/81/60/1036888160.db2.gz GRHZAXJFOXHMME-NRFANRHFSA-N 1 1 345.295 3.727 20 30 EHEDMO C=CC[NH+]1CCC(N[C@@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000177905723 1036967587 /nfs/dbraw/zinc/96/75/87/1036967587.db2.gz RQYUVVFCVBAOTL-ZDUSSCGKSA-N 1 1 328.378 3.886 20 30 EHEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CC(=O)Nc2cccc(C#N)c2)c1 ZINC000542253872 1037203534 /nfs/dbraw/zinc/20/35/34/1037203534.db2.gz IUYAAEPUUPNNSR-YWZLYKJASA-N 1 1 349.434 3.588 20 30 EHEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC001168193768 1037206514 /nfs/dbraw/zinc/20/65/14/1037206514.db2.gz QNUNAHNERATKOV-YOEHRIQHSA-N 1 1 336.863 3.648 20 30 EHEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000542248387 1037215092 /nfs/dbraw/zinc/21/50/92/1037215092.db2.gz WUJKSYNWECJYHS-NEPJUHHUSA-N 1 1 330.291 3.975 20 30 EHEDMO COc1cccc([C@H]2[C@@H](Nc3nccc(C)c3C#N)CC[N@H+]2C2CC2)c1 ZINC000542281036 1037238127 /nfs/dbraw/zinc/23/81/27/1037238127.db2.gz SKHZLLROFKSFAR-PMACEKPBSA-N 1 1 348.450 3.660 20 30 EHEDMO COC(=O)[C@@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@H]1c1ccc(Cl)cc1 ZINC000292500454 1037299862 /nfs/dbraw/zinc/29/98/62/1037299862.db2.gz UPQBDCLHSOTKOX-DLBZAZTESA-N 1 1 348.874 3.858 20 30 EHEDMO COc1ccc(C[N@H+]2CC[C@@H](C3CCC3)C2)cc1OCCCC#N ZINC000591267758 1037311520 /nfs/dbraw/zinc/31/15/20/1037311520.db2.gz LTMQIZRKPQRCSE-GOSISDBHSA-N 1 1 328.456 4.000 20 30 EHEDMO Cc1oc2nc(C[N@@H+](Cc3ccc(C#N)cc3)C(C)C)nc(N)c2c1C ZINC000493525019 1037425303 /nfs/dbraw/zinc/42/53/03/1037425303.db2.gz LHJIUOBMWLMHDL-UHFFFAOYSA-N 1 1 349.438 3.704 20 30 EHEDMO Cc1oc2nc(C[N@H+](Cc3ccc(C#N)cc3)C(C)C)nc(N)c2c1C ZINC000493525019 1037425312 /nfs/dbraw/zinc/42/53/12/1037425312.db2.gz LHJIUOBMWLMHDL-UHFFFAOYSA-N 1 1 349.438 3.704 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1cccc(O)c1 ZINC000181228616 1037456163 /nfs/dbraw/zinc/45/61/63/1037456163.db2.gz KHHITFVNVAVFBM-LLVKDONJSA-N 1 1 331.213 3.877 20 30 EHEDMO C[N@H+]1CCC[C@@H](CNc2ccc(C#N)cc2CO)[C@@H]1c1cccs1 ZINC000892668012 1037486412 /nfs/dbraw/zinc/48/64/12/1037486412.db2.gz ADYNZGHEESAOAZ-HNAYVOBHSA-N 1 1 341.480 3.607 20 30 EHEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463027018 1037658302 /nfs/dbraw/zinc/65/83/02/1037658302.db2.gz BNJUJJDPUUWHLP-CABCVRRESA-N 1 1 336.361 3.759 20 30 EHEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000532576067 1037684693 /nfs/dbraw/zinc/68/46/93/1037684693.db2.gz HNUZKSXXHSLZMV-BSIFCXSSSA-N 1 1 345.446 3.542 20 30 EHEDMO C=C(C)CN1CCC([NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000542473003 1037817270 /nfs/dbraw/zinc/81/72/70/1037817270.db2.gz QZDPWNCXSIJEML-NRFANRHFSA-N 1 1 339.458 3.940 20 30 EHEDMO CCCCOc1ccc([C@H](C)[NH2+]Cc2ccncc2C#N)cc1OC ZINC000592093849 1037832137 /nfs/dbraw/zinc/83/21/37/1037832137.db2.gz PSFMLJILSXADCK-HNNXBMFYSA-N 1 1 339.439 3.992 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)c(Br)c1 ZINC000592140111 1037860155 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C=C(C)CN(CC)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512397507 1039001836 /nfs/dbraw/zinc/00/18/36/1039001836.db2.gz FOVZNWRFJJHAOM-QUCCMNQESA-N 1 1 343.515 3.895 20 30 EHEDMO C=CCSc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000485466266 1039111906 /nfs/dbraw/zinc/11/19/06/1039111906.db2.gz OAYUQIRAAYMDOO-QGZVFWFLSA-N 1 1 344.524 3.959 20 30 EHEDMO C=CC1CCN(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000478019551 1039127389 /nfs/dbraw/zinc/12/73/89/1039127389.db2.gz RHYGKOCQSLZRKS-HXUWFJFHSA-N 1 1 341.499 3.505 20 30 EHEDMO Cc1cc(C#N)cc(C)c1Cn1cc(C[N@H+](C)C2CCCCC2)nn1 ZINC000905827124 1039136721 /nfs/dbraw/zinc/13/67/21/1039136721.db2.gz GLPVNAWVDDKTIH-UHFFFAOYSA-N 1 1 337.471 3.579 20 30 EHEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CCOc3ccccc3C#N)nc2c1 ZINC000570201161 1039300508 /nfs/dbraw/zinc/30/05/08/1039300508.db2.gz NDHFLQMVGAVNTE-LJQANCHMSA-N 1 1 346.434 3.959 20 30 EHEDMO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3CCOc3ccccc3C#N)nc2c1 ZINC000570201161 1039300524 /nfs/dbraw/zinc/30/05/24/1039300524.db2.gz NDHFLQMVGAVNTE-LJQANCHMSA-N 1 1 346.434 3.959 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000552512972 1039331805 /nfs/dbraw/zinc/33/18/05/1039331805.db2.gz BQOXGYBNEGHJBC-RHSMWYFYSA-N 1 1 337.398 3.514 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000552512972 1039331818 /nfs/dbraw/zinc/33/18/18/1039331818.db2.gz BQOXGYBNEGHJBC-RHSMWYFYSA-N 1 1 337.398 3.514 20 30 EHEDMO Cc1ccc2ncc(C#N)c(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)c2c1 ZINC000488754559 1039373344 /nfs/dbraw/zinc/37/33/44/1039373344.db2.gz VKONCCCTZRFXIS-MRXNPFEDSA-N 1 1 334.467 3.726 20 30 EHEDMO C=CCC1(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CCC1 ZINC000480315111 1039421463 /nfs/dbraw/zinc/42/14/63/1039421463.db2.gz PTIMJWIYODKUHG-FQEVSTJZSA-N 1 1 326.484 3.904 20 30 EHEDMO N#Cc1ccc(-c2ccc(-c3noc(C4([NH3+])CC(F)C4)n3)cc2)cc1 ZINC001212121472 1039600937 /nfs/dbraw/zinc/60/09/37/1039600937.db2.gz BZWGUYCMQSTWNP-UHFFFAOYSA-N 1 1 334.354 3.561 20 30 EHEDMO N#Cc1ccc(C[N@@H+](CCO)CC2CCCCC2)c(OC(F)F)c1 ZINC000485847274 1039612767 /nfs/dbraw/zinc/61/27/67/1039612767.db2.gz ASAFSKASPULUOZ-UHFFFAOYSA-N 1 1 338.398 3.534 20 30 EHEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nccn1Cc1ccccc1 ZINC000552956501 1039665274 /nfs/dbraw/zinc/66/52/74/1039665274.db2.gz BBTUHEHXUJZQEX-NRFANRHFSA-N 1 1 342.446 3.970 20 30 EHEDMO C=C1CCC(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000893839171 1039743267 /nfs/dbraw/zinc/74/32/67/1039743267.db2.gz KWNFBVJQPRJAQW-HXUWFJFHSA-N 1 1 339.483 3.656 20 30 EHEDMO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1c(F)cccc1Cl ZINC000028852933 1039777406 /nfs/dbraw/zinc/77/74/06/1039777406.db2.gz JLTULOQHPLIIPA-UHFFFAOYSA-N 1 1 345.805 3.811 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1c(F)cccc1Cl ZINC000028852933 1039777421 /nfs/dbraw/zinc/77/74/21/1039777421.db2.gz JLTULOQHPLIIPA-UHFFFAOYSA-N 1 1 345.805 3.811 20 30 EHEDMO C=CCN(Cc1ccccc1F)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480693454 1039914227 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/nfs/dbraw/zinc/35/42/19/1040354219.db2.gz OJWSYECKBJXKTG-FQEVSTJZSA-N 1 1 346.434 3.661 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000614171413 1040359526 /nfs/dbraw/zinc/35/95/26/1040359526.db2.gz YAKOCGFELFWDHY-HXUWFJFHSA-N 1 1 336.435 3.767 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000614171413 1040359541 /nfs/dbraw/zinc/35/95/41/1040359541.db2.gz YAKOCGFELFWDHY-HXUWFJFHSA-N 1 1 336.435 3.767 20 30 EHEDMO CC[N@@H+](CCNC(=O)c1ccccc1Oc1ccccc1C#N)C1CC1 ZINC000181628132 1040377577 /nfs/dbraw/zinc/37/75/77/1040377577.db2.gz RCTZJVRWPSOEPT-UHFFFAOYSA-N 1 1 349.434 3.565 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000486784128 1040441349 /nfs/dbraw/zinc/44/13/49/1040441349.db2.gz WVOCFUFXAILUHL-FPOVZHCZSA-N 1 1 341.499 3.528 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000247274528 1040550171 /nfs/dbraw/zinc/55/01/71/1040550171.db2.gz YHDWIEBGHCXNQK-LSDHHAIUSA-N 1 1 331.485 3.894 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000247274528 1040550189 /nfs/dbraw/zinc/55/01/89/1040550189.db2.gz YHDWIEBGHCXNQK-LSDHHAIUSA-N 1 1 331.485 3.894 20 30 EHEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000481298895 1040633962 /nfs/dbraw/zinc/63/39/62/1040633962.db2.gz CMBZAEXKIGRMRM-MRXNPFEDSA-N 1 1 340.467 3.703 20 30 EHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC[N@H+](C)CCCC ZINC000491035203 1040878957 /nfs/dbraw/zinc/87/89/57/1040878957.db2.gz VGHORMVVMRAJQB-UHFFFAOYSA-N 1 1 343.924 3.831 20 30 EHEDMO C#CCNC(=O)C1CC[NH+]([C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000491067953 1040900908 /nfs/dbraw/zinc/90/09/08/1040900908.db2.gz LUQWKLXFHMKSRF-GFCCVEGCSA-N 1 1 339.266 3.516 20 30 EHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(O)cc(C#N)c3)cc2)C1 ZINC000614296721 1040944838 /nfs/dbraw/zinc/94/48/38/1040944838.db2.gz PKGATDUAJKKLIT-OAHLLOKOSA-N 1 1 349.434 3.748 20 30 EHEDMO CN(CCC#N)c1ccc(CNC[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000237015327 1040958899 /nfs/dbraw/zinc/95/88/99/1040958899.db2.gz XNZSVLGMMWZWDX-OAQYLSRUSA-N 1 1 342.531 3.637 20 30 EHEDMO CC1CCN([C@@H](C[NH2+]Cc2nc(C#N)cs2)c2ccccc2)CC1 ZINC000569860682 1041023272 /nfs/dbraw/zinc/02/32/72/1041023272.db2.gz JZPZFIQSRQGQSR-SFHVURJKSA-N 1 1 340.496 3.578 20 30 EHEDMO C=CC[C@H](C)NC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000509727452 1041069542 /nfs/dbraw/zinc/06/95/42/1041069542.db2.gz DTZDFAVOPLPTIP-YQVWRLOYSA-N 1 1 329.488 3.551 20 30 EHEDMO C=C(C)[C@@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000481611497 1041139449 /nfs/dbraw/zinc/13/94/49/1041139449.db2.gz RYQPGHPPURGEHC-BIENJYKASA-N 1 1 336.426 3.961 20 30 EHEDMO C=C(C)[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)c(F)c1 ZINC000481633316 1041165676 /nfs/dbraw/zinc/16/56/76/1041165676.db2.gz WXSRNUNYIYUYNH-MOPGFXCFSA-N 1 1 342.389 3.977 20 30 EHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433267847 1041179165 /nfs/dbraw/zinc/17/91/65/1041179165.db2.gz AJDHMJCSQMMIFR-LBPRGKRZSA-N 1 1 345.805 3.810 20 30 EHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433267847 1041179175 /nfs/dbraw/zinc/17/91/75/1041179175.db2.gz AJDHMJCSQMMIFR-LBPRGKRZSA-N 1 1 345.805 3.810 20 30 EHEDMO N#Cc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1F ZINC000511765209 1041586422 /nfs/dbraw/zinc/58/64/22/1041586422.db2.gz NWHRBKNGFGWGSY-AABGKKOBSA-N 1 1 336.410 3.702 20 30 EHEDMO C=CCCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000661094194 1041940300 /nfs/dbraw/zinc/94/03/00/1041940300.db2.gz RACVAPXOVYICNY-IBGZPJMESA-N 1 1 341.499 3.554 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)[C@H](C)COC ZINC000661244854 1042024781 /nfs/dbraw/zinc/02/47/81/1042024781.db2.gz YVXHYPWAFNHKDD-QGZVFWFLSA-N 1 1 338.451 3.962 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2c(C3CC3)nc3sccn23)c(F)c1 ZINC000181771265 1042098181 /nfs/dbraw/zinc/09/81/81/1042098181.db2.gz DTVSZIIHFABTTP-UHFFFAOYSA-N 1 1 326.400 3.574 20 30 EHEDMO C=CCCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511953896 1042477380 /nfs/dbraw/zinc/47/73/80/1042477380.db2.gz QSLGVQDUOQPDHU-SFHVURJKSA-N 1 1 329.488 3.553 20 30 EHEDMO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1ccc(C3(C#N)CC3)cc1)C2 ZINC000598934941 1042493739 /nfs/dbraw/zinc/49/37/39/1042493739.db2.gz DNLCTZVZFBDPOT-UHFFFAOYSA-N 1 1 332.451 3.713 20 30 EHEDMO CC(C)c1ncc2c(n1)CC[N@H+](Cc1ccc(C3(C#N)CC3)cc1)C2 ZINC000598934941 1042493744 /nfs/dbraw/zinc/49/37/44/1042493744.db2.gz DNLCTZVZFBDPOT-UHFFFAOYSA-N 1 1 332.451 3.713 20 30 EHEDMO N#Cc1cccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1F ZINC000382218756 1042596905 /nfs/dbraw/zinc/59/69/05/1042596905.db2.gz QMVAISHYZSCFCU-FPOVZHCZSA-N 1 1 349.453 3.651 20 30 EHEDMO C[N@@H+](CCCNC(=O)c1ccc(Cl)c(C#N)c1)C1CCCCC1 ZINC000541766358 1042613596 /nfs/dbraw/zinc/61/35/96/1042613596.db2.gz YTAIFOCHIVHFAJ-UHFFFAOYSA-N 1 1 333.863 3.596 20 30 EHEDMO N#Cc1ccc(F)c(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000053906587 1042710927 /nfs/dbraw/zinc/71/09/27/1042710927.db2.gz RRZWWDJNFCPQBR-MRXNPFEDSA-N 1 1 330.428 3.940 20 30 EHEDMO N#Cc1ccc(F)c(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000053906587 1042710932 /nfs/dbraw/zinc/71/09/32/1042710932.db2.gz RRZWWDJNFCPQBR-MRXNPFEDSA-N 1 1 330.428 3.940 20 30 EHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000330958849 1042933351 /nfs/dbraw/zinc/93/33/51/1042933351.db2.gz IQOGYDDXVTVRBL-LLVKDONJSA-N 1 1 345.390 3.611 20 30 EHEDMO C[N@H+]1CC[C@H](CNc2cccnc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569178058 1042956420 /nfs/dbraw/zinc/95/64/20/1042956420.db2.gz GGBBRSDIIUOVHT-ACJLOTCBSA-N 1 1 344.821 3.851 20 30 EHEDMO Cc1ccc(SCC[NH+]2CCN([C@@H](C#N)C(C)C)CC2)cc1C ZINC000609486372 1042983487 /nfs/dbraw/zinc/98/34/87/1042983487.db2.gz JCUFQRWJOSQBQS-IBGZPJMESA-N 1 1 331.529 3.561 20 30 EHEDMO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)Cc2ccccc2C)c1C#N ZINC000570273499 1043031025 /nfs/dbraw/zinc/03/10/25/1043031025.db2.gz DSRVXHJBCBKXFU-INIZCTEOSA-N 1 1 336.435 3.716 20 30 EHEDMO CCN(Cc1ccc(C#N)cn1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000570579430 1043035229 /nfs/dbraw/zinc/03/52/29/1043035229.db2.gz SAQIITBARNQMHZ-LAUBAEHRSA-N 1 1 334.467 3.611 20 30 EHEDMO CC(C)[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C1CCCCC1 ZINC000344013296 1043100534 /nfs/dbraw/zinc/10/05/34/1043100534.db2.gz NRLDANOXLWIYGH-UHFFFAOYSA-N 1 1 327.472 3.976 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344066074 1043200882 /nfs/dbraw/zinc/20/08/82/1043200882.db2.gz PJHOAMMABCVQLX-DLBZAZTESA-N 1 1 343.446 3.749 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000344203606 1043421800 /nfs/dbraw/zinc/42/18/00/1043421800.db2.gz FFUOFRMBHMUHQJ-IAGOWNOFSA-N 1 1 327.472 3.690 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000344203607 1043421956 /nfs/dbraw/zinc/42/19/56/1043421956.db2.gz FFUOFRMBHMUHQJ-IRXDYDNUSA-N 1 1 327.472 3.690 20 30 EHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000512152276 1043489067 /nfs/dbraw/zinc/48/90/67/1043489067.db2.gz LXQQOXVYCYJBEG-YVWKXTFCSA-N 1 1 327.472 3.514 20 30 EHEDMO C=C(C)C[N@H+](Cc1cc(-c2cnn(C)c2C)no1)Cc1ccccc1 ZINC000279344555 1043974657 /nfs/dbraw/zinc/97/46/57/1043974657.db2.gz QAPOENINMGOBAR-UHFFFAOYSA-N 1 1 336.439 3.962 20 30 EHEDMO C[C@@H](c1ccccc1)[N@@H+](CC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000512241744 1044358732 /nfs/dbraw/zinc/35/87/32/1044358732.db2.gz FVGFWIYUGPFULB-INIZCTEOSA-N 1 1 325.456 3.555 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000620303900 1125544851 /nfs/dbraw/zinc/54/48/51/1125544851.db2.gz JAWZBZLDWWHBJS-OKILXGFUSA-N 1 1 344.365 3.528 20 30 EHEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000183757667 1125773419 /nfs/dbraw/zinc/77/34/19/1125773419.db2.gz CUKHWOURCNMTIB-NWDGAFQWSA-N 1 1 342.270 3.652 20 30 EHEDMO Cc1cc(C#N)cc(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001670905406 1128019036 /nfs/dbraw/zinc/01/90/36/1128019036.db2.gz CDGQARRMSPZEFW-IYBDPMFKSA-N 1 1 342.487 3.745 20 30 EHEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2C)ccc1Cl ZINC000347530071 1128050023 /nfs/dbraw/zinc/05/00/23/1128050023.db2.gz NUPAJFDWPVUHQU-HIFRSBDPSA-N 1 1 333.863 3.625 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000347585405 1128122076 /nfs/dbraw/zinc/12/20/76/1128122076.db2.gz UKWFVRPHJQFBDO-MSOLQXFVSA-N 1 1 327.472 3.528 20 30 EHEDMO C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H]1C ZINC000347603052 1128130859 /nfs/dbraw/zinc/13/08/59/1128130859.db2.gz XZKTWHMMZNYPFH-LSDHHAIUSA-N 1 1 333.863 3.565 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cccc(C#N)c1 ZINC000153577277 1128464135 /nfs/dbraw/zinc/46/41/35/1128464135.db2.gz WDVZHENLVFYGES-QZTJIDSGSA-N 1 1 333.479 3.804 20 30 EHEDMO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1cccc(C#N)c1 ZINC000153577277 1128464137 /nfs/dbraw/zinc/46/41/37/1128464137.db2.gz WDVZHENLVFYGES-QZTJIDSGSA-N 1 1 333.479 3.804 20 30 EHEDMO CC[N@@H+](CC(=O)N(C)C1CCCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340560 1128473040 /nfs/dbraw/zinc/47/30/40/1128473040.db2.gz YWIWOWDOVBFLDM-MRXNPFEDSA-N 1 1 327.472 3.732 20 30 EHEDMO Cc1cc(F)cc2c1ncc(C#N)c2NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000301610130 1128598001 /nfs/dbraw/zinc/59/80/01/1128598001.db2.gz QICVSYIUTLQOAA-HNNXBMFYSA-N 1 1 340.446 3.944 20 30 EHEDMO C[C@@H]1C[C@H](Nc2nc3ccccn3c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000302176245 1128623949 /nfs/dbraw/zinc/62/39/49/1128623949.db2.gz MZVALNMYEHKEGA-SJLPKXTDSA-N 1 1 345.450 3.671 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ncc(C#N)cc1Cl ZINC000302184086 1128624589 /nfs/dbraw/zinc/62/45/89/1128624589.db2.gz SGIFSELYVKKBCE-GUYCJALGSA-N 1 1 326.831 3.539 20 30 EHEDMO CCCC[N@@H+](CC)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000108358369 1128627865 /nfs/dbraw/zinc/62/78/65/1128627865.db2.gz DYYPJUQWWIYWBD-HNNXBMFYSA-N 1 1 333.501 3.999 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNc1nc2ccccn2c1C#N)C1CC1 ZINC000302428278 1128632547 /nfs/dbraw/zinc/63/25/47/1128632547.db2.gz KJQPFIGQNLNIJK-IBGZPJMESA-N 1 1 345.450 3.528 20 30 EHEDMO N#Cc1ccc(C(F)(F)F)c(NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000302662188 1128640559 /nfs/dbraw/zinc/64/05/59/1128640559.db2.gz LZRPISMHXYBBFC-UHFFFAOYSA-N 1 1 334.345 3.764 20 30 EHEDMO CC#CC(=O)N1CCC[C@@]2(CCC[N@H+](C[C@H](CC)CCCC)C2)C1 ZINC001272887406 1128647448 /nfs/dbraw/zinc/64/74/48/1128647448.db2.gz MLHAFUPPTZDIGZ-TZIWHRDSSA-N 1 1 332.532 3.931 20 30 EHEDMO N#Cc1cccc(C#N)c1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000302876550 1128652271 /nfs/dbraw/zinc/65/22/71/1128652271.db2.gz GCRWDKDWRUXDMB-OAHLLOKOSA-N 1 1 336.464 3.816 20 30 EHEDMO C[C@H]1C[C@@H](Nc2c(C#N)cccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000302885872 1128653487 /nfs/dbraw/zinc/65/34/87/1128653487.db2.gz MQLKNPNNORMNQX-JXFKEZNVSA-N 1 1 330.435 3.895 20 30 EHEDMO N#Cc1cccc(C[NH2+]Cc2c(F)ccc(Br)c2F)c1 ZINC000230306950 1128696051 /nfs/dbraw/zinc/69/60/51/1128696051.db2.gz KEEPDHLEAGFGPB-UHFFFAOYSA-N 1 1 337.167 3.889 20 30 EHEDMO N#Cc1ccc(OCCC[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000305050525 1128764084 /nfs/dbraw/zinc/76/40/84/1128764084.db2.gz MRQVCMBRFRFHCS-HKUYNNGSSA-N 1 1 340.423 3.508 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[NH+](Cc2ccco2)Cc2ccco2)cc1 ZINC000063483216 1128879701 /nfs/dbraw/zinc/87/97/01/1128879701.db2.gz HTDXORILYUKHFL-UHFFFAOYSA-N 1 1 349.390 3.775 20 30 EHEDMO CCC[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000109016321 1120015434 /nfs/dbraw/zinc/01/54/34/1120015434.db2.gz BKPZRINCSPWOQD-NRFANRHFSA-N 1 1 347.462 3.684 20 30 EHEDMO Cc1ccc2c(Cl)c(C(=O)NC3(C#N)CC[NH+](C)CC3)sc2c1 ZINC000609201303 1120556185 /nfs/dbraw/zinc/55/61/85/1120556185.db2.gz ZXLTWILMAYWAKK-UHFFFAOYSA-N 1 1 347.871 3.581 20 30 EHEDMO C#Cc1cccc(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000174785883 1120559157 /nfs/dbraw/zinc/55/91/57/1120559157.db2.gz OVGPMOOEZRYQJH-SFHVURJKSA-N 1 1 347.462 3.796 20 30 EHEDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2sc3ccc(C#N)cc3c2C)C[C@@H]1C ZINC000494480000 1120569562 /nfs/dbraw/zinc/56/95/62/1120569562.db2.gz QNZNKORJFDEWOC-STQMWFEESA-N 1 1 341.480 3.636 20 30 EHEDMO CC[N@H+]1C[C@H](C)N(C(=O)c2sc3ccc(C#N)cc3c2C)C[C@@H]1C ZINC000494480000 1120569567 /nfs/dbraw/zinc/56/95/67/1120569567.db2.gz QNZNKORJFDEWOC-STQMWFEESA-N 1 1 341.480 3.636 20 30 EHEDMO C=CC[N@@H+](C)CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000494651420 1120705925 /nfs/dbraw/zinc/70/59/25/1120705925.db2.gz QMJCKUSZODLTBZ-UHFFFAOYSA-N 1 1 338.455 3.586 20 30 EHEDMO C=CC[N@H+](C)CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000494651420 1120705929 /nfs/dbraw/zinc/70/59/29/1120705929.db2.gz QMJCKUSZODLTBZ-UHFFFAOYSA-N 1 1 338.455 3.586 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(F)cc2C#N)C1 ZINC000112624468 1128936236 /nfs/dbraw/zinc/93/62/36/1128936236.db2.gz NVTTZNMXAUTSTQ-DLBZAZTESA-N 1 1 329.463 3.784 20 30 EHEDMO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000542505715 1120838849 /nfs/dbraw/zinc/83/88/49/1120838849.db2.gz FKPGWIXPOJDLPH-OAHLLOKOSA-N 1 1 338.879 3.650 20 30 EHEDMO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000542505715 1120838851 /nfs/dbraw/zinc/83/88/51/1120838851.db2.gz FKPGWIXPOJDLPH-OAHLLOKOSA-N 1 1 338.879 3.650 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)Cc1cc(C)ccc1C ZINC000762050667 1121067977 /nfs/dbraw/zinc/06/79/77/1121067977.db2.gz SMMLEJJIQFCJTL-UHFFFAOYSA-N 1 1 345.450 3.832 20 30 EHEDMO Cc1nc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccc1C#N ZINC000311123077 1128982922 /nfs/dbraw/zinc/98/29/22/1128982922.db2.gz UUEBDBWIIFKOBY-XUVXKRRUSA-N 1 1 332.451 3.584 20 30 EHEDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000495763927 1121406774 /nfs/dbraw/zinc/40/67/74/1121406774.db2.gz OHEJARFDGKWMKA-XJKSGUPXSA-N 1 1 347.434 3.575 20 30 EHEDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000495763927 1121406776 /nfs/dbraw/zinc/40/67/76/1121406776.db2.gz OHEJARFDGKWMKA-XJKSGUPXSA-N 1 1 347.434 3.575 20 30 EHEDMO C[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496386163 1122069890 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341.471 3.597 20 30 EHEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccc(O)c(OC)c2)cc1OC ZINC000125977443 1122371522 /nfs/dbraw/zinc/37/15/22/1122371522.db2.gz NDYBHILZLBQVFW-UHFFFAOYSA-N 1 1 343.423 3.606 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)ccc1OC ZINC000497264532 1122428025 /nfs/dbraw/zinc/42/80/25/1122428025.db2.gz XLQCMPCUMWNXMM-QZTJIDSGSA-N 1 1 333.472 3.633 20 30 EHEDMO C=CC[N@@H+](C[C@H](O)COc1ccc(-c2ccccc2)cc1)C(C)C ZINC000917069231 1122475582 /nfs/dbraw/zinc/47/55/82/1122475582.db2.gz LJIKGPKTXOUCLQ-FQEVSTJZSA-N 1 1 325.452 3.990 20 30 EHEDMO C=C(C)CN(CC)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065518682 1129058902 /nfs/dbraw/zinc/05/89/02/1129058902.db2.gz GAXMNHUOPZUVOA-IBGZPJMESA-N 1 1 329.488 3.506 20 30 EHEDMO CC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CCCC1 ZINC000917125186 1122518234 /nfs/dbraw/zinc/51/82/34/1122518234.db2.gz TVKULGUAYONWQX-CQSZACIVSA-N 1 1 327.453 3.737 20 30 EHEDMO CC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CCCC1 ZINC000917125186 1122518236 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30 EHEDMO COc1cc(C[N@@H+](C)CCCSCC#N)c(SC)cc1OC ZINC000074991396 1123354146 /nfs/dbraw/zinc/35/41/46/1123354146.db2.gz UKFGXDRWOSPKAD-UHFFFAOYSA-N 1 1 340.514 3.504 20 30 EHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H](O)COc1ccccc1Cl ZINC000195542795 1123552190 /nfs/dbraw/zinc/55/21/90/1123552190.db2.gz BOUAVZGGIQXUPR-INIZCTEOSA-N 1 1 349.833 3.907 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)COc1ccccc1Cl ZINC000195542795 1123552193 /nfs/dbraw/zinc/55/21/93/1123552193.db2.gz BOUAVZGGIQXUPR-INIZCTEOSA-N 1 1 349.833 3.907 20 30 EHEDMO CC[C@H]1c2ccccc2CC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000609625693 1123628248 /nfs/dbraw/zinc/62/82/48/1123628248.db2.gz ONNHPLHVQFINMP-IBGZPJMESA-N 1 1 339.483 3.681 20 30 EHEDMO CC[C@H]1c2ccccc2CC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000609625693 1123628249 /nfs/dbraw/zinc/62/82/49/1123628249.db2.gz ONNHPLHVQFINMP-IBGZPJMESA-N 1 1 339.483 3.681 20 30 EHEDMO CC[N@H+]1CC[C@H](N(C)CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000079461641 1123696400 /nfs/dbraw/zinc/69/64/00/1123696400.db2.gz UICNZNPTLOFKKG-QAPCUYQASA-N 1 1 338.417 3.719 20 30 EHEDMO N#Cc1cc(C[N@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)ccc1F ZINC000616176479 1123957751 /nfs/dbraw/zinc/95/77/51/1123957751.db2.gz JFMZRTFFQKDHDU-KRWDZBQOSA-N 1 1 348.425 3.959 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CC=C(c3c[nH]c4ccccc34)CC2)cc1 ZINC000763477505 1123999608 /nfs/dbraw/zinc/99/96/08/1123999608.db2.gz GJJMLFAIWLKMJQ-JOCHJYFZSA-N 1 1 343.430 3.862 20 30 EHEDMO COCC[N@@H+](C)CCCC1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000499652760 1129161140 /nfs/dbraw/zinc/16/11/40/1129161140.db2.gz JRHHXVANIMKKIJ-UHFFFAOYSA-N 1 1 349.906 3.786 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC3(C2)CCCCC3)c(C#N)c1C ZINC000129881571 1129161709 /nfs/dbraw/zinc/16/17/09/1129161709.db2.gz TZLBBJGKMULMGJ-CQSZACIVSA-N 1 1 329.444 3.751 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC3(C2)CCCCC3)c(C#N)c1C ZINC000129881571 1129161711 /nfs/dbraw/zinc/16/17/11/1129161711.db2.gz TZLBBJGKMULMGJ-CQSZACIVSA-N 1 1 329.444 3.751 20 30 EHEDMO C=CC[C@H](NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)c1ccncc1 ZINC000734661829 1131266288 /nfs/dbraw/zinc/26/62/88/1131266288.db2.gz RQVJTFUTSFSYLW-AEFFLSMTSA-N 1 1 344.503 3.509 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc(C)c2Br)no1 ZINC001212325147 1124665187 /nfs/dbraw/zinc/66/51/87/1124665187.db2.gz KKIMBZOUOWMQKF-LBPRGKRZSA-N 1 1 334.217 3.611 20 30 EHEDMO C=CCOc1ccc(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000735214152 1131322716 /nfs/dbraw/zinc/32/27/16/1131322716.db2.gz FCVFAFBAGUCVAY-HXUWFJFHSA-N 1 1 337.419 3.683 20 30 EHEDMO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(F)c1F ZINC000181974562 1125100697 /nfs/dbraw/zinc/10/06/97/1125100697.db2.gz BZLMJPSYAHXISJ-SNVBAGLBSA-N 1 1 349.768 3.779 20 30 EHEDMO C[C@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)C[N@@H+]1Cc1ccccc1 ZINC000619748376 1125399985 /nfs/dbraw/zinc/39/99/85/1125399985.db2.gz JQSHFWVOOLROLK-HNAYVOBHSA-N 1 1 339.870 3.964 20 30 EHEDMO C[C@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)C[N@H+]1Cc1ccccc1 ZINC000619748376 1125399988 /nfs/dbraw/zinc/39/99/88/1125399988.db2.gz JQSHFWVOOLROLK-HNAYVOBHSA-N 1 1 339.870 3.964 20 30 EHEDMO C=CCOc1ccc(C[NH2+][C@H](C)CN2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC000619776227 1125402475 /nfs/dbraw/zinc/40/24/75/1125402475.db2.gz KUCQXVLFKBLLIF-OKZBNKHCSA-N 1 1 346.515 3.716 20 30 EHEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000543209214 1129343581 /nfs/dbraw/zinc/34/35/81/1129343581.db2.gz HDFRLLRMODZMAB-GOSISDBHSA-N 1 1 328.456 3.696 20 30 EHEDMO C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000466397803 1129419639 /nfs/dbraw/zinc/41/96/39/1129419639.db2.gz GBTINHVMMZRZQM-RBUKOAKNSA-N 1 1 329.488 3.647 20 30 EHEDMO C[NH+](C)CC1(NCc2cccc(OCc3ccccc3C#N)c2)CCC1 ZINC000466411862 1129431124 /nfs/dbraw/zinc/43/11/24/1129431124.db2.gz HUOHZFLTGMWEED-UHFFFAOYSA-N 1 1 349.478 3.711 20 30 EHEDMO FC(F)(F)COCCC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117351592 1129435507 /nfs/dbraw/zinc/43/55/07/1129435507.db2.gz KGOZJQZMOBAQNU-UHFFFAOYSA-N 1 1 347.221 3.772 20 30 EHEDMO C=CCOc1ccc(C[NH2+]Cc2c(OC)cccc2OC)cc1OC ZINC000657585579 1129438726 /nfs/dbraw/zinc/43/87/26/1129438726.db2.gz LBLQJOFUOMUXCO-UHFFFAOYSA-N 1 1 343.423 3.567 20 30 EHEDMO C[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000170955832 1129451536 /nfs/dbraw/zinc/45/15/36/1129451536.db2.gz WVIHOQJCCTUWDN-CYBMUJFWSA-N 1 1 325.437 3.568 20 30 EHEDMO C=CCCO[C@H](C)C(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000347713759 1129471132 /nfs/dbraw/zinc/47/11/32/1129471132.db2.gz UFPKOKPJPKNWTK-NLWGTHIKSA-N 1 1 344.499 3.652 20 30 EHEDMO Cc1cc(N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)nc(C(C)C)n1 ZINC000118391624 1129507120 /nfs/dbraw/zinc/50/71/20/1129507120.db2.gz ZWXSZADIMVLLDX-QGZVFWFLSA-N 1 1 349.482 3.663 20 30 EHEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000261386466 1129521801 /nfs/dbraw/zinc/52/18/01/1129521801.db2.gz BVMSRACUVDSADR-VQIMIIECSA-N 1 1 342.487 3.573 20 30 EHEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000093531921 1129592766 /nfs/dbraw/zinc/59/27/66/1129592766.db2.gz JJSBGVPKCFFYRH-AWEZNQCLSA-N 1 1 338.842 3.922 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)cc1 ZINC000922700170 1129631632 /nfs/dbraw/zinc/63/16/32/1129631632.db2.gz HADFVTBQTOUZDQ-ZDUSSCGKSA-N 1 1 327.453 3.603 20 30 EHEDMO C#CC[N@H+](Cc1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCc2ccccc21 ZINC000186753336 1129792377 /nfs/dbraw/zinc/79/23/77/1129792377.db2.gz RPIGZDBDMYLIDM-JOCHJYFZSA-N 1 1 344.458 3.718 20 30 EHEDMO COc1ccc(Br)c(C[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000162281121 1129823984 /nfs/dbraw/zinc/82/39/84/1129823984.db2.gz RPFGCRRUGJTFKG-UHFFFAOYSA-N 1 1 349.203 3.758 20 30 EHEDMO N#Cc1ccc(F)c(C[N@H+](CCCO)Cc2cccc(Cl)c2)c1 ZINC000134284365 1129990171 /nfs/dbraw/zinc/99/01/71/1129990171.db2.gz QUVTYHKQPYKOII-UHFFFAOYSA-N 1 1 332.806 3.735 20 30 EHEDMO N#Cc1ccc(F)c(C[N@@H+](CCCO)Cc2cccc(Cl)c2)c1 ZINC000134284365 1129990174 /nfs/dbraw/zinc/99/01/74/1129990174.db2.gz QUVTYHKQPYKOII-UHFFFAOYSA-N 1 1 332.806 3.735 20 30 EHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000674276307 1130055573 /nfs/dbraw/zinc/05/55/73/1130055573.db2.gz OWDGLRFYVAFQHN-RDJZCZTQSA-N 1 1 343.492 3.836 20 30 EHEDMO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000171655299 1130076618 /nfs/dbraw/zinc/07/66/18/1130076618.db2.gz DGHGGJLJFRIBEM-UHFFFAOYSA-N 1 1 330.435 3.981 20 30 EHEDMO N#Cc1ccccc1-c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000245952723 1130334618 /nfs/dbraw/zinc/33/46/18/1130334618.db2.gz CFTLICHITJUPQT-SFTDATJTSA-N 1 1 331.463 3.942 20 30 EHEDMO N#Cc1ccccc1-c1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000245952723 1130334625 /nfs/dbraw/zinc/33/46/25/1130334625.db2.gz CFTLICHITJUPQT-SFTDATJTSA-N 1 1 331.463 3.942 20 30 EHEDMO CCC[N@@H+](CC)CCNC(=O)c1ccccc1-c1ccccc1C#N ZINC000174640404 1130374324 /nfs/dbraw/zinc/37/43/24/1130374324.db2.gz FCXBIORWCDHIKH-UHFFFAOYSA-N 1 1 335.451 3.687 20 30 EHEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000175123119 1130408755 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C=CCOc1ccccc1C[NH2+]Cc1ccc(Br)cn1 ZINC000733797863 1131083410 /nfs/dbraw/zinc/08/34/10/1131083410.db2.gz ANACDVGSESPQFJ-UHFFFAOYSA-N 1 1 333.229 3.699 20 30 EHEDMO CCOc1ccc(/C=N/C[C@H]2CCC[N@H+]2Cc2ccccc2)c(O)c1 ZINC000734096503 1131192070 /nfs/dbraw/zinc/19/20/70/1131192070.db2.gz NSSSCEXIQRMHOC-VZMFNRANSA-N 1 1 338.451 3.874 20 30 EHEDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)ccc1OCC#N ZINC000741249917 1131589038 /nfs/dbraw/zinc/58/90/38/1131589038.db2.gz GPJKKFPRCCNLAL-OAHLLOKOSA-N 1 1 344.842 3.625 20 30 EHEDMO C[C@@H]1CC(N=Nc2nc(C(F)(F)F)nc3ccccc32)CC[N@H+]1C ZINC000741462029 1131604723 /nfs/dbraw/zinc/60/47/23/1131604723.db2.gz IFORXBLZJSSEGX-SNVBAGLBSA-N 1 1 337.349 3.531 20 30 EHEDMO COc1cccc(O)c1/C=N\C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000741465287 1131605316 /nfs/dbraw/zinc/60/53/16/1131605316.db2.gz UBFFVWPLVUBEMV-IUPQIPEJSA-N 1 1 344.480 3.964 20 30 EHEDMO C[C@@H]1CCC[C@H](C)[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000741794757 1131649402 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EHEDMO Cc1cccc(N2C[C@]3(CC[N@H+]([C@H](C)CCCC#N)C3)CC2=O)c1 ZINC001172497301 1131760290 /nfs/dbraw/zinc/76/02/90/1131760290.db2.gz ATRBWACGEXVRFX-YLJYHZDGSA-N 1 1 325.456 3.506 20 30 EHEDMO CCCCCCCC[C@H](CC)[N@H+]1Cc2nnn(C)c2[C@@H](COC)C1 ZINC001172504526 1131762529 /nfs/dbraw/zinc/76/25/29/1131762529.db2.gz FULVDRTXGYXALP-SJORKVTESA-N 1 1 336.524 3.890 20 30 EHEDMO CCCCCCCC[C@H](CC)[N@@H+]1Cc2nnn(C)c2[C@@H](COC)C1 ZINC001172504526 1131762537 /nfs/dbraw/zinc/76/25/37/1131762537.db2.gz FULVDRTXGYXALP-SJORKVTESA-N 1 1 336.524 3.890 20 30 EHEDMO CCCCCCC[C@H](CCC)[N@H+]1Cc2nnn(C)c2[C@@H](COC)C1 ZINC001172509298 1131763318 /nfs/dbraw/zinc/76/33/18/1131763318.db2.gz VHNGOPPIXDAROM-SJORKVTESA-N 1 1 336.524 3.890 20 30 EHEDMO CCCCCCC[C@H](CCC)[N@@H+]1Cc2nnn(C)c2[C@@H](COC)C1 ZINC001172509298 1131763320 /nfs/dbraw/zinc/76/33/20/1131763320.db2.gz VHNGOPPIXDAROM-SJORKVTESA-N 1 1 336.524 3.890 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CC(C)(C)OC(C)(C)C1)CC2 ZINC001172656729 1131802413 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347.503 3.529 20 30 EHEDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)CN1C(=O)OC(C)(C)C ZINC001173077422 1131957216 /nfs/dbraw/zinc/95/72/16/1131957216.db2.gz QQQOCVBRLLCKRZ-QAPCUYQASA-N 1 1 343.471 3.778 20 30 EHEDMO CCCC[N@H+](CCC#N)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173188147 1131993161 /nfs/dbraw/zinc/99/31/61/1131993161.db2.gz CRHQCVUJCYUCOA-ZDUSSCGKSA-N 1 1 337.395 3.689 20 30 EHEDMO CCCC[N@@H+](CCC#N)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173188147 1131993168 /nfs/dbraw/zinc/99/31/68/1131993168.db2.gz CRHQCVUJCYUCOA-ZDUSSCGKSA-N 1 1 337.395 3.689 20 30 EHEDMO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H](C)CSCC)C2)CC1 ZINC001173300876 1132033283 /nfs/dbraw/zinc/03/32/83/1132033283.db2.gz NPLRCKQBTJATHT-MRXNPFEDSA-N 1 1 340.533 3.629 20 30 EHEDMO C=CCOC1CCC([NH2+][C@@H](CCc2ccccc2)C(=O)OCC)CC1 ZINC001173311533 1132038308 /nfs/dbraw/zinc/03/83/08/1132038308.db2.gz LSBTVOLAPAOVIR-MHJFOBGBSA-N 1 1 345.483 3.654 20 30 EHEDMO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+]([C@H]1CC[C@H](CC)C1)CC2 ZINC001173284414 1132042884 /nfs/dbraw/zinc/04/28/84/1132042884.db2.gz ZSONOBKBUGQEJU-WMZOPIPTSA-N 1 1 343.515 3.933 20 30 EHEDMO C=CCOC1CCC([N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC001173323279 1132046808 /nfs/dbraw/zinc/04/68/08/1132046808.db2.gz BXOMYJZUGHLOAK-SAZYNNDCSA-N 1 1 340.511 3.707 20 30 EHEDMO C=CCOC1CCC([N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001173327850 1132047546 /nfs/dbraw/zinc/04/75/46/1132047546.db2.gz UHQPYUOBRXVQRB-HJTRDACESA-N 1 1 349.515 3.942 20 30 EHEDMO COc1ccccc1[C@@H](O)C[N@@H+](C(C)C)C1CCC(CC#N)CC1 ZINC001173337602 1132052729 /nfs/dbraw/zinc/05/27/29/1132052729.db2.gz PXMPFCHSYLONAF-TVPLGVNVSA-N 1 1 330.472 3.911 20 30 EHEDMO CN(C[C@@H]1CC[N@H+](C2CCC(CC#N)CC2)C1)C(=O)OC(C)(C)C ZINC001173336947 1132053297 /nfs/dbraw/zinc/05/32/97/1132053297.db2.gz RXEPWMGYWKCOPF-CGZBRXJRSA-N 1 1 335.492 3.648 20 30 EHEDMO N#C[C@@H]1CCC[N@H+](C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001173420780 1132066231 /nfs/dbraw/zinc/06/62/31/1132066231.db2.gz 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CCOC(=O)[C@H]1CC12CCC([N@@H+](C)Cc1cccc(C#N)c1)CC2 ZINC001173626551 1132108875 /nfs/dbraw/zinc/10/88/75/1132108875.db2.gz KFNVKWWEBLKZKR-QPIRBTGLSA-N 1 1 326.440 3.502 20 30 EHEDMO C#CC[N@H+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)C1CCCCC1 ZINC000744739031 1132144988 /nfs/dbraw/zinc/14/49/88/1132144988.db2.gz BFTYXEUVSACWAS-RBBKRZOGSA-N 1 1 341.495 3.709 20 30 EHEDMO N#Cc1cnn(-c2ccc(F)cc2)c1Nc1cc[nH+]c2ccccc12 ZINC001174039389 1132222728 /nfs/dbraw/zinc/22/27/28/1132222728.db2.gz RSXSKEYMLIKVGY-UHFFFAOYSA-N 1 1 329.338 3.597 20 30 EHEDMO COc1c(F)ccc(F)c1Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001174659960 1132439940 /nfs/dbraw/zinc/43/99/40/1132439940.db2.gz LSZLYMBOGLIYEW-UHFFFAOYSA-N 1 1 335.379 3.638 20 30 EHEDMO COc1c(F)ccc(F)c1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001174659960 1132439945 /nfs/dbraw/zinc/43/99/45/1132439945.db2.gz LSZLYMBOGLIYEW-UHFFFAOYSA-N 1 1 335.379 3.638 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000746449968 1132540504 /nfs/dbraw/zinc/54/05/04/1132540504.db2.gz NOVNDGRYLPWRQN-UHFFFAOYSA-N 1 1 335.451 3.588 20 30 EHEDMO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC001175493825 1132683079 /nfs/dbraw/zinc/68/30/79/1132683079.db2.gz WZQPRDRIGNUMFM-APWZRJJASA-N 1 1 348.437 3.807 20 30 EHEDMO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC001175493827 1132683312 /nfs/dbraw/zinc/68/33/12/1132683312.db2.gz WZQPRDRIGNUMFM-LPHOPBHVSA-N 1 1 348.437 3.807 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783513 1132856498 /nfs/dbraw/zinc/85/64/98/1132856498.db2.gz GHZFDTRBBUBTCM-OAQYLSRUSA-N 1 1 334.463 3.979 20 30 EHEDMO C#CC[N@H+](CCC(=O)Nc1ccc(OC)c(Cl)c1)C1CCCC1 ZINC000766942391 1132919946 /nfs/dbraw/zinc/91/99/46/1132919946.db2.gz RPEGIRHBKHXARG-UHFFFAOYSA-N 1 1 334.847 3.555 20 30 EHEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccnn3Cc3ccccc3)sc2C1 ZINC001176700145 1132984228 /nfs/dbraw/zinc/98/42/28/1132984228.db2.gz AHEOUPDVAZKKOU-UHFFFAOYSA-N 1 1 349.463 3.596 20 30 EHEDMO 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C=CC[C@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC001196443026 1135557730 /nfs/dbraw/zinc/55/77/30/1135557730.db2.gz SWXMQDTZUWBADJ-UWJYYQICSA-N 1 1 326.484 3.932 20 30 EHEDMO C=CC[C@H]1CC[N@H+](Cc2nc3ccc(Br)cc3n2C)C1 ZINC001196442600 1135557821 /nfs/dbraw/zinc/55/78/21/1135557821.db2.gz RVHQKBXYAJWVDX-LBPRGKRZSA-N 1 1 334.261 3.734 20 30 EHEDMO CCCCCCCCCC[N@@H+]1CCn2c(nnc2-c2cn(C)cn2)C1 ZINC001197031485 1135643518 /nfs/dbraw/zinc/64/35/18/1135643518.db2.gz LBAISLJLNJZBTI-UHFFFAOYSA-N 1 1 344.507 3.635 20 30 EHEDMO CCCCCCCCCC[N@H+]1CCn2c(nnc2-c2cn(C)cn2)C1 ZINC001197031485 1135643521 /nfs/dbraw/zinc/64/35/21/1135643521.db2.gz LBAISLJLNJZBTI-UHFFFAOYSA-N 1 1 344.507 3.635 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2nc3ccccc3n2-c2ccc(OC)cc2)C1 ZINC001197701235 1135727119 /nfs/dbraw/zinc/72/71/19/1135727119.db2.gz FZQYNFRPKMXJGC-QGZVFWFLSA-N 1 1 345.446 3.879 20 30 EHEDMO CCCCCCCC[N@@H+](C)[C@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000808775854 1135735326 /nfs/dbraw/zinc/73/53/26/1135735326.db2.gz LUJUQPFYWCCLJU-QGZVFWFLSA-N 1 1 346.581 3.729 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)CC[C@@H]2C)cc1C ZINC000747532428 1135756161 /nfs/dbraw/zinc/75/61/61/1135756161.db2.gz XQWAUQLVLNOXCZ-QAPCUYQASA-N 1 1 327.472 3.671 20 30 EHEDMO C#C[C@@H]1CCCC[N@@H+]1CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC001198526738 1135827791 /nfs/dbraw/zinc/82/77/91/1135827791.db2.gz UULFNYWALFYHNE-MRXNPFEDSA-N 1 1 327.403 3.604 20 30 EHEDMO C#C[C@H]1CCCC[N@@H+]1CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC001198526733 1135827944 /nfs/dbraw/zinc/82/79/44/1135827944.db2.gz UULFNYWALFYHNE-INIZCTEOSA-N 1 1 327.403 3.604 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001198676503 1135846232 /nfs/dbraw/zinc/84/62/32/1135846232.db2.gz SCQNZBDFFWNOEQ-FUHWJXTLSA-N 1 1 334.847 3.776 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc1 ZINC000809567760 1135851295 /nfs/dbraw/zinc/85/12/95/1135851295.db2.gz PBPFAHGVOHVRDU-LJQANCHMSA-N 1 1 343.373 3.843 20 30 EHEDMO 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/nfs/dbraw/zinc/92/49/52/1135924952.db2.gz VQZUKXGRHPUZPL-MRXNPFEDSA-N 1 1 333.435 3.926 20 30 EHEDMO N#Cc1ccc(Br)c(C[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC001199743240 1135925441 /nfs/dbraw/zinc/92/54/41/1135925441.db2.gz SQAAWQWZLGQSFF-UHFFFAOYSA-N 1 1 337.167 3.889 20 30 EHEDMO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccccc1Br ZINC001199842928 1135931813 /nfs/dbraw/zinc/93/18/13/1135931813.db2.gz JFLPNOUZAINRDY-UHFFFAOYSA-N 1 1 344.256 3.677 20 30 EHEDMO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](C[C@H](C)CCC)CC2 ZINC001201541865 1136034434 /nfs/dbraw/zinc/03/44/34/1136034434.db2.gz HWDKDBOXUJONRB-MRXNPFEDSA-N 1 1 331.504 3.790 20 30 EHEDMO C=CCN1CC[C@@]2(C[N@@H+](CC(CC)CC)C[C@@H]2c2ccccc2)C1=O ZINC001201525806 1136037976 /nfs/dbraw/zinc/03/79/76/1136037976.db2.gz KRSHRZLFFPCKMX-IRLDBZIGSA-N 1 1 340.511 3.927 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001201776348 1136065601 /nfs/dbraw/zinc/06/56/01/1136065601.db2.gz CKZCUQYXNUAJHY-OAQYLSRUSA-N 1 1 339.483 3.957 20 30 EHEDMO CCCCCCC[N@H+]1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001201776349 1136065717 /nfs/dbraw/zinc/06/57/17/1136065717.db2.gz CLKATMPBFKUJDG-OKZBNKHCSA-N 1 1 336.451 3.802 20 30 EHEDMO CCCCCCC[N@@H+]1CCc2onc(C(=O)Nc3cccnc3)c2C1 ZINC001201776497 1136065732 /nfs/dbraw/zinc/06/57/32/1136065732.db2.gz DRCMQXWNZSNSRI-UHFFFAOYSA-N 1 1 342.443 3.650 20 30 EHEDMO CCCCCCC[N@H+]1CCc2onc(C(=O)Nc3cccnc3)c2C1 ZINC001201776497 1136065736 /nfs/dbraw/zinc/06/57/36/1136065736.db2.gz DRCMQXWNZSNSRI-UHFFFAOYSA-N 1 1 342.443 3.650 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@@]2(CCN(Cc3csc(C)n3)C2=O)C1 ZINC001201776639 1136065752 /nfs/dbraw/zinc/06/57/52/1136065752.db2.gz HQRNRTBKZPCVSX-LJQANCHMSA-N 1 1 349.544 3.846 20 30 EHEDMO CCCCCCCC[N@H+]1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001201826097 1136067891 /nfs/dbraw/zinc/06/78/91/1136067891.db2.gz NBYSGZSZFOECOG-FPOVZHCZSA-N 1 1 343.515 3.770 20 30 EHEDMO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1CC[C@@H](C)CCC=C(C)C ZINC001201976835 1136075337 /nfs/dbraw/zinc/07/53/37/1136075337.db2.gz PVAQTASAWQAUKW-PKOBYXMFSA-N 1 1 346.519 3.690 20 30 EHEDMO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1CC[C@@H](C)CCC=C(C)C ZINC001201976835 1136075340 /nfs/dbraw/zinc/07/53/40/1136075340.db2.gz PVAQTASAWQAUKW-PKOBYXMFSA-N 1 1 346.519 3.690 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1O ZINC000811792650 1136141529 /nfs/dbraw/zinc/14/15/29/1136141529.db2.gz QKQNVABGQRZDJV-QUCCMNQESA-N 1 1 343.467 3.663 20 30 EHEDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)CC2(C#N)CC2)CCCCC1 ZINC001133216034 1136185649 /nfs/dbraw/zinc/18/56/49/1136185649.db2.gz FCICPMKIEQAIKX-UHFFFAOYSA-N 1 1 339.483 3.631 20 30 EHEDMO C#C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC000812352268 1136197047 /nfs/dbraw/zinc/19/70/47/1136197047.db2.gz IUNLCUBXXUJMRQ-ZWKOTPCHSA-N 1 1 330.859 3.538 20 30 EHEDMO C#C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000812353262 1136197332 /nfs/dbraw/zinc/19/73/32/1136197332.db2.gz KMWLTQNVVTXCLK-LPHOPBHVSA-N 1 1 344.886 3.785 20 30 EHEDMO CCOC(C[N@@H+](CC)Cc1ccc(C#N)cc1C(F)(F)F)OCC ZINC000852143468 1136436557 /nfs/dbraw/zinc/43/65/57/1136436557.db2.gz OFBRBSFCVHRWMB-UHFFFAOYSA-N 1 1 344.377 3.798 20 30 EHEDMO CC(C)(C)OC(=O)c1ccccc1OCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000852319616 1136447959 /nfs/dbraw/zinc/44/79/59/1136447959.db2.gz QGQDPJQBRGKMLG-MRXNPFEDSA-N 1 1 344.455 3.646 20 30 EHEDMO C=CCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852474565 1136458569 /nfs/dbraw/zinc/45/85/69/1136458569.db2.gz VQRSHBRPSKDVBQ-LSDHHAIUSA-N 1 1 332.410 3.608 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000852685673 1136478094 /nfs/dbraw/zinc/47/80/94/1136478094.db2.gz IASSFCNHVGPVCY-FFZOFVMBSA-N 1 1 339.483 3.797 20 30 EHEDMO C#CCC[N@H+](CCOC)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000852751060 1136483426 /nfs/dbraw/zinc/48/34/26/1136483426.db2.gz OBVKVIVTBADFFI-UHFFFAOYSA-N 1 1 343.858 3.577 20 30 EHEDMO C#CCC[N@H+](CCOC)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000852751215 1136483851 /nfs/dbraw/zinc/48/38/51/1136483851.db2.gz TUNMRIALIJCFFJ-UHFFFAOYSA-N 1 1 332.444 3.505 20 30 EHEDMO N#CCCC[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)c1ccccc1 ZINC000814660342 1136486879 /nfs/dbraw/zinc/48/68/79/1136486879.db2.gz UFILUASRMTVXIK-OAQYLSRUSA-N 1 1 345.450 3.851 20 30 EHEDMO CC1(C)CC(=[NH+]NCCCOc2ccccc2)c2cc(N)ccc2O1 ZINC000814838258 1136513934 /nfs/dbraw/zinc/51/39/34/1136513934.db2.gz GTXCTTSQIIUTKR-UHFFFAOYSA-N 1 1 339.439 3.593 20 30 EHEDMO C[C@H]1C(N=Nc2nccnc2Cl)CCC[N@H+]1Cc1ccccc1 ZINC000814850690 1136515387 /nfs/dbraw/zinc/51/53/87/1136515387.db2.gz ZDBQSBNTIAYQGR-ZDUSSCGKSA-N 1 1 329.835 3.582 20 30 EHEDMO Nc1ncc2c(n1)CCCC2=[NH+]NCc1ccc(-c2ccccc2)cc1 ZINC000814863355 1136516982 /nfs/dbraw/zinc/51/69/82/1136516982.db2.gz KXNZGRKXQUSQKU-UHFFFAOYSA-N 1 1 343.434 3.556 20 30 EHEDMO Cc1nc(Cl)cc(N=NC2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000814855921 1136519775 /nfs/dbraw/zinc/51/97/75/1136519775.db2.gz VUBMTJLXUUJLKV-CYBMUJFWSA-N 1 1 343.862 3.891 20 30 EHEDMO Cc1cc(F)ccc1N[NH+]=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853325823 1136525911 /nfs/dbraw/zinc/52/59/11/1136525911.db2.gz ZORMFIGUWQPHLU-UHFFFAOYSA-N 1 1 327.403 3.541 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816490924 1136724303 /nfs/dbraw/zinc/72/43/03/1136724303.db2.gz PNPGIVPORSVMBJ-UHFFFAOYSA-N 1 1 348.805 3.705 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)c(F)cc1O ZINC000816490924 1136724305 /nfs/dbraw/zinc/72/43/05/1136724305.db2.gz PNPGIVPORSVMBJ-UHFFFAOYSA-N 1 1 348.805 3.705 20 30 EHEDMO N#CCCC[C@@H]([NH2+]Cc1ncc(C2OCCO2)s1)c1ccccc1 ZINC000816627217 1136739508 /nfs/dbraw/zinc/73/95/08/1136739508.db2.gz HVHISVFHXKESRJ-OAHLLOKOSA-N 1 1 343.452 3.713 20 30 EHEDMO C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000817276820 1136793062 /nfs/dbraw/zinc/79/30/62/1136793062.db2.gz QDZLGOQMUSRFPF-LEWJYISDSA-N 1 1 338.426 3.828 20 30 EHEDMO CN(Cc1cccc(C#N)c1)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000856884766 1136820794 /nfs/dbraw/zinc/82/07/94/1136820794.db2.gz JLIRFMWWBKTOHA-OAQYLSRUSA-N 1 1 347.462 3.640 20 30 EHEDMO CC(C)(C)[C@@]1(C=NOC[C@@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000857209350 1136854090 /nfs/dbraw/zinc/85/40/90/1136854090.db2.gz DCUMQCZUGDNQJN-TZIWHRDSSA-N 1 1 344.499 3.964 20 30 EHEDMO Clc1cnc(N=NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1 ZINC000857220614 1136854703 /nfs/dbraw/zinc/85/47/03/1136854703.db2.gz KMUHUCZTUUAUAG-CALCHBBNSA-N 1 1 341.846 3.725 20 30 EHEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccccc1Sc1ccccc1 ZINC000818584189 1136885080 /nfs/dbraw/zinc/88/50/80/1136885080.db2.gz GQFYDNKYROHSMY-UHFFFAOYSA-N 1 1 338.476 3.523 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000857772196 1136906405 /nfs/dbraw/zinc/90/64/05/1136906405.db2.gz WYASGTBPXREBSC-SFHVURJKSA-N 1 1 326.484 3.897 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)s1 ZINC000858016276 1136931653 /nfs/dbraw/zinc/93/16/53/1136931653.db2.gz KIPHIKUIGQLSOU-OAHLLOKOSA-N 1 1 325.437 3.545 20 30 EHEDMO CCOc1cc(C[NH2+]Cc2cc(C#N)ccc2F)c(F)cc1OC ZINC000858147548 1136943857 /nfs/dbraw/zinc/94/38/57/1136943857.db2.gz TTYAOMMTNCQGAC-UHFFFAOYSA-N 1 1 332.350 3.534 20 30 EHEDMO C#C[C@@H](NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000820564351 1136997506 /nfs/dbraw/zinc/99/75/06/1136997506.db2.gz AGZCQUHLAKXEMI-ZWKOTPCHSA-N 1 1 347.890 3.530 20 30 EHEDMO C#CCCCOc1cccnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000820611495 1136998460 /nfs/dbraw/zinc/99/84/60/1136998460.db2.gz WRDUUSAUDYBFHT-UHFFFAOYSA-N 1 1 349.478 3.586 20 30 EHEDMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1C#N ZINC000859195619 1137007244 /nfs/dbraw/zinc/00/72/44/1137007244.db2.gz SGXGYVLGPKRDCC-MAUKXSAKSA-N 1 1 343.471 3.602 20 30 EHEDMO CC[C@@H]1CCC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000117344190 1137052703 /nfs/dbraw/zinc/05/27/03/1137052703.db2.gz CZUZVXKODROXBC-NVXWUHKLSA-N 1 1 348.450 3.736 20 30 EHEDMO N#CCCC[C@H]([NH3+])c1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000822644389 1137068053 /nfs/dbraw/zinc/06/80/53/1137068053.db2.gz OCMMHNBOCNATLE-LBPRGKRZSA-N 1 1 325.199 3.661 20 30 EHEDMO N#CCCC[C@H]([NH3+])c1nc(-c2cccc(-c3cscn3)c2)no1 ZINC000822863702 1137077835 /nfs/dbraw/zinc/07/78/35/1137077835.db2.gz SEHUUUCZTMGHOW-ZDUSSCGKSA-N 1 1 325.397 3.554 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H]1CCc3cccc(F)c3C1)C2 ZINC001170998404 1137080386 /nfs/dbraw/zinc/08/03/86/1137080386.db2.gz WRCUVWZDPQCAOP-WFXMLNOXSA-N 1 1 345.458 3.509 20 30 EHEDMO CCOC(=O)C(=Cc1cc(C)c(C)[nH+]c1NCCCS)N=[N+]=[N-] ZINC001171001126 1137083299 /nfs/dbraw/zinc/08/32/99/1137083299.db2.gz RANSPGDUFQJPKL-LCYFTJDESA-N 1 1 335.433 3.645 20 30 EHEDMO C#CCOc1ccccc1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000823888312 1137118642 /nfs/dbraw/zinc/11/86/42/1137118642.db2.gz ZLFKWPPROKUFIJ-OAHLLOKOSA-N 1 1 331.337 3.893 20 30 EHEDMO C[C@H](C#N)C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC000862324028 1137138370 /nfs/dbraw/zinc/13/83/70/1137138370.db2.gz AAYFHCHSVAQTEA-NXHRZFHOSA-N 1 1 343.471 3.529 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000862444555 1137144935 /nfs/dbraw/zinc/14/49/35/1137144935.db2.gz BWHJXXVBECRBNZ-KRWDZBQOSA-N 1 1 336.435 3.514 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000862444557 1137144949 /nfs/dbraw/zinc/14/49/49/1137144949.db2.gz BWHJXXVBECRBNZ-QGZVFWFLSA-N 1 1 336.435 3.514 20 30 EHEDMO Cc1cccn2c(C[N@H+]3CCC[C@H](Oc4cccc(C#N)c4)C3)cnc12 ZINC001136965458 1137158431 /nfs/dbraw/zinc/15/84/31/1137158431.db2.gz PGYWJYLLWCMYQD-FQEVSTJZSA-N 1 1 346.434 3.558 20 30 EHEDMO N#CCCCCCC(=O)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000805882312 1137159226 /nfs/dbraw/zinc/15/92/26/1137159226.db2.gz CUOJRMBBAACAHZ-IBGZPJMESA-N 1 1 328.456 3.916 20 30 EHEDMO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)COC4)C2)cc1 ZINC001137030946 1137176428 /nfs/dbraw/zinc/17/64/28/1137176428.db2.gz UQIAAXOUEDEVOM-OAQYLSRUSA-N 1 1 334.419 3.632 20 30 EHEDMO N#Cc1cccc(Cl)c1CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001143726053 1137194311 /nfs/dbraw/zinc/19/43/11/1137194311.db2.gz DCBSHGNRBQYIPF-ROUUACIJSA-N 1 1 337.854 3.670 20 30 EHEDMO C[C@H](C#N)OCCOc1cccc(C[N@H+]2CCc3ccccc3C2)c1 ZINC000844237615 1137206089 /nfs/dbraw/zinc/20/60/89/1137206089.db2.gz RKKMQRVWULFIHQ-QGZVFWFLSA-N 1 1 336.435 3.552 20 30 EHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)c1 ZINC000844371425 1137213162 /nfs/dbraw/zinc/21/31/62/1137213162.db2.gz MCBPZMDGYRSOGK-IBGZPJMESA-N 1 1 344.817 3.834 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c(OC(F)F)c1 ZINC000844437339 1137222135 /nfs/dbraw/zinc/22/21/35/1137222135.db2.gz JYLOYUDEMRUAJT-HNNXBMFYSA-N 1 1 328.309 3.781 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1O ZINC000794649626 1137223510 /nfs/dbraw/zinc/22/35/10/1137223510.db2.gz CGOWJICEKJHBGY-XHDPSFHLSA-N 1 1 329.362 3.902 20 30 EHEDMO C=C(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001144405080 1137286075 /nfs/dbraw/zinc/28/60/75/1137286075.db2.gz BMGPAHRTSFEGLO-FQEVSTJZSA-N 1 1 326.484 3.556 20 30 EHEDMO CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000865592691 1137297395 /nfs/dbraw/zinc/29/73/95/1137297395.db2.gz YCPNKFNSFJGDDH-HNNXBMFYSA-N 1 1 345.368 3.819 20 30 EHEDMO C#Cc1ccc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC001144578868 1137310904 /nfs/dbraw/zinc/31/09/04/1137310904.db2.gz RWXQRKCZWFRWKH-UHFFFAOYSA-N 1 1 334.246 3.969 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C)cc1 ZINC001144578521 1137310908 /nfs/dbraw/zinc/31/09/08/1137310908.db2.gz FSLRTDZGMGJTCR-QAPCUYQASA-N 1 1 328.456 3.546 20 30 EHEDMO C#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)cc1 ZINC001144576838 1137311935 /nfs/dbraw/zinc/31/19/35/1137311935.db2.gz SAMIZNHGKMBDAF-HDICACEKSA-N 1 1 325.415 3.698 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2sccc2CC#N)C1 ZINC000865861087 1137317378 /nfs/dbraw/zinc/31/73/78/1137317378.db2.gz MWODDAYKLLTRLB-HOTGVXAUSA-N 1 1 345.512 3.541 20 30 EHEDMO N#Cc1ccccc1O[C@@H]1CCCN(Cc2cc(F)c([O-])cc2F)C1 ZINC001144657861 1137323480 /nfs/dbraw/zinc/32/34/80/1137323480.db2.gz LCDVMLKSFKKTQA-OAHLLOKOSA-N 1 1 344.361 3.585 20 30 EHEDMO CCn1cc(C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C(C)C)cn1 ZINC000846054744 1137330913 /nfs/dbraw/zinc/33/09/13/1137330913.db2.gz FLHPKDNZMWSQHE-UHFFFAOYSA-N 1 1 339.487 3.663 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](CC(=O)OC(C)(C)C)CC2CC2)cc1 ZINC000846053183 1137330935 /nfs/dbraw/zinc/33/09/35/1137330935.db2.gz NSLYECJLNMQCKJ-OAHLLOKOSA-N 1 1 344.455 3.531 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+](CC(=O)OC(C)(C)C)CC2CC2)cc1 ZINC000846053183 1137330937 /nfs/dbraw/zinc/33/09/37/1137330937.db2.gz NSLYECJLNMQCKJ-OAHLLOKOSA-N 1 1 344.455 3.531 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001171231732 1137355371 /nfs/dbraw/zinc/35/53/71/1137355371.db2.gz MCNFBVCVUFVYOD-SXSPYAJSSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)N1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001171231732 1137355373 /nfs/dbraw/zinc/35/53/73/1137355373.db2.gz MCNFBVCVUFVYOD-SXSPYAJSSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001171231732 1137355375 /nfs/dbraw/zinc/35/53/75/1137355375.db2.gz MCNFBVCVUFVYOD-SXSPYAJSSA-N 1 1 345.490 3.696 20 30 EHEDMO Cc1cc(C#N)ccc1NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000846748400 1137364246 /nfs/dbraw/zinc/36/42/46/1137364246.db2.gz OUHBUCZVGXIBNM-KRWDZBQOSA-N 1 1 335.451 3.700 20 30 EHEDMO Cc1cc(C#N)ccc1NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000846748400 1137364247 /nfs/dbraw/zinc/36/42/47/1137364247.db2.gz OUHBUCZVGXIBNM-KRWDZBQOSA-N 1 1 335.451 3.700 20 30 EHEDMO C#C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000847024715 1137383161 /nfs/dbraw/zinc/38/31/61/1137383161.db2.gz RRWYAYXYLCBXOC-CYBMUJFWSA-N 1 1 345.240 3.949 20 30 EHEDMO C#C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000847024715 1137383162 /nfs/dbraw/zinc/38/31/62/1137383162.db2.gz RRWYAYXYLCBXOC-CYBMUJFWSA-N 1 1 345.240 3.949 20 30 EHEDMO COc1ccc(Cl)c2c1C[C@H]([N@@H+]1[C@@H]3CC[C@H]1C[C@H](C#N)C3)CC2 ZINC001171326465 1137420584 /nfs/dbraw/zinc/42/05/84/1137420584.db2.gz OASBWXATYSWSPW-APIJFGDWSA-N 1 1 330.859 3.972 20 30 EHEDMO C=C(C)[C@H]([NH2+]Cc1ccnn1CCCOC)c1ccc(F)c(F)c1 ZINC000282712275 1137440545 /nfs/dbraw/zinc/44/05/45/1137440545.db2.gz RAXRNAWJDGCSIV-SFHVURJKSA-N 1 1 335.398 3.605 20 30 EHEDMO C=CCCC[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1nccs1 ZINC000348119699 1137442788 /nfs/dbraw/zinc/44/27/88/1137442788.db2.gz JFTFQCIOBKHQEG-XHSDSOJGSA-N 1 1 325.497 3.732 20 30 EHEDMO C=CC1CC[NH+](CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000348187434 1137451771 /nfs/dbraw/zinc/45/17/71/1137451771.db2.gz PWMWERRVIYSTPV-UHFFFAOYSA-N 1 1 333.482 3.708 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1O ZINC000773259382 1137482323 /nfs/dbraw/zinc/48/23/23/1137482323.db2.gz JGRCBOZYFRRBDQ-DLBZAZTESA-N 1 1 345.483 3.768 20 30 EHEDMO N#Cc1ccc(CN[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cc1F ZINC000716672061 1137488282 /nfs/dbraw/zinc/48/82/82/1137488282.db2.gz SNIOEIAVIRLVLS-JBACZVJFSA-N 1 1 349.453 3.840 20 30 EHEDMO N#Cc1ccc(CN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1F ZINC000716672061 1137488284 /nfs/dbraw/zinc/48/82/84/1137488284.db2.gz SNIOEIAVIRLVLS-JBACZVJFSA-N 1 1 349.453 3.840 20 30 EHEDMO C=C(Br)CN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716716567 1137488469 /nfs/dbraw/zinc/48/84/69/1137488469.db2.gz HLFIXFAWWITJTH-ULQDDVLXSA-N 1 1 335.289 3.538 20 30 EHEDMO N#Cc1ccc(OCCNc2[nH+]ccc3c4c([nH]c32)CCCC4)cc1 ZINC001171485174 1137491097 /nfs/dbraw/zinc/49/10/97/1137491097.db2.gz DUJZZILKAMOOIY-UHFFFAOYSA-N 1 1 332.407 3.804 20 30 EHEDMO Cc1ccc(CC[C@H](C)[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)cc1 ZINC001171678082 1137503433 /nfs/dbraw/zinc/50/34/33/1137503433.db2.gz BPMUVXOQZSUZCP-IBGZPJMESA-N 1 1 348.494 3.795 20 30 EHEDMO C[C@@H]1C[C@H](N2CCc3cc(C#N)ccc3C2)C[N@H+]1Cc1ccccc1 ZINC001171744125 1137508207 /nfs/dbraw/zinc/50/82/07/1137508207.db2.gz DQHDVCQVWIGBOF-VGSWGCGISA-N 1 1 331.463 3.579 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2nc(C(F)(F)F)cs2)cc1 ZINC000123336439 1137512272 /nfs/dbraw/zinc/51/22/72/1137512272.db2.gz LSWMXEUZMUJIQQ-SNVBAGLBSA-N 1 1 341.358 3.743 20 30 EHEDMO N#C[C@@H]1C[C@H](F)CN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172089910 1137531920 /nfs/dbraw/zinc/53/19/20/1137531920.db2.gz SRDWJHUVPKRRDJ-OMZCGLGVSA-N 1 1 327.447 3.508 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001172305390 1137545447 /nfs/dbraw/zinc/54/54/47/1137545447.db2.gz RYXOLWGNTVBZAN-SFHVURJKSA-N 1 1 337.511 3.830 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001172305390 1137545448 /nfs/dbraw/zinc/54/54/48/1137545448.db2.gz RYXOLWGNTVBZAN-SFHVURJKSA-N 1 1 337.511 3.830 20 30 EHEDMO CCOC(=O)C[N@H+](Cc1ccccc1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172307529 1137545680 /nfs/dbraw/zinc/54/56/80/1137545680.db2.gz FPXDRSYEQQWRBI-QGZVFWFLSA-N 1 1 336.435 3.555 20 30 EHEDMO CCOC(=O)C[N@@H+](Cc1ccccc1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172307529 1137545681 /nfs/dbraw/zinc/54/56/81/1137545681.db2.gz FPXDRSYEQQWRBI-QGZVFWFLSA-N 1 1 336.435 3.555 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001172313185 1137546327 /nfs/dbraw/zinc/54/63/27/1137546327.db2.gz QXOINMBZBOBLCP-UIFIKXQLSA-N 1 1 331.463 3.557 20 30 EHEDMO COC(=O)[C@H]1CC[N@@H+]([C@H](C)Cc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC001172315746 1137546597 /nfs/dbraw/zinc/54/65/97/1137546597.db2.gz KROUPKMNNZXEGD-CZAAIQMYSA-N 1 1 348.446 3.725 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCOC2(CCN(C(C)=O)CC2)C1 ZINC001172354751 1137553915 /nfs/dbraw/zinc/55/39/15/1137553915.db2.gz KPBBYTZJTLNALM-LJQANCHMSA-N 1 1 338.536 3.839 20 30 EHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2cccnc2OC2CCCC2)no1 ZINC000872176497 1137575251 /nfs/dbraw/zinc/57/52/51/1137575251.db2.gz QWUOYFAPTAEEIL-ZDUSSCGKSA-N 1 1 334.807 3.595 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000872261541 1137576817 /nfs/dbraw/zinc/57/68/17/1137576817.db2.gz HHHDJUFMNFYHHI-APWZRJJASA-N 1 1 328.456 3.901 20 30 EHEDMO C#C[C@H]([NH2+][C@H](COC)CC1CCOCC1)c1ccc(Cl)cc1F ZINC000825886909 1137656151 /nfs/dbraw/zinc/65/61/51/1137656151.db2.gz RRIPMYGSVWURNI-YJBOKZPZSA-N 1 1 339.838 3.575 20 30 EHEDMO Cc1ccc(C)n1C1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876656293 1137658306 /nfs/dbraw/zinc/65/83/06/1137658306.db2.gz KAEVHNYVBPMBKB-UHFFFAOYSA-N 1 1 328.847 3.862 20 30 EHEDMO CCCC(=O)Nc1ccc(C[NH2+]Cc2cc(C#N)cnc2Cl)cc1 ZINC000876935651 1137665718 /nfs/dbraw/zinc/66/57/18/1137665718.db2.gz DVHXUAVDGMEHMU-UHFFFAOYSA-N 1 1 342.830 3.635 20 30 EHEDMO Cc1ccc([C@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)cc1[N+](=O)[O-] ZINC000877073119 1137669480 /nfs/dbraw/zinc/66/94/80/1137669480.db2.gz CZYJHHARENMGPW-NSHDSACASA-N 1 1 330.775 3.674 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000877313515 1137674088 /nfs/dbraw/zinc/67/40/88/1137674088.db2.gz WJCTZSQFMBBAGT-QZWWFDLISA-N 1 1 335.492 3.551 20 30 EHEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000877674287 1137685405 /nfs/dbraw/zinc/68/54/05/1137685405.db2.gz SWFPJHWTTNWZQM-IRLDBZIGSA-N 1 1 335.447 3.787 20 30 EHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C)c(Cl)n1 ZINC000878011451 1137699425 /nfs/dbraw/zinc/69/94/25/1137699425.db2.gz WEXJMBKTDZZOSD-UHFFFAOYSA-N 1 1 329.831 3.564 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C)c(Cl)n1 ZINC000878011451 1137699426 /nfs/dbraw/zinc/69/94/26/1137699426.db2.gz WEXJMBKTDZZOSD-UHFFFAOYSA-N 1 1 329.831 3.564 20 30 EHEDMO C=CCCC[C@@H](C(=O)NCCCn1cc[nH+]c1C)c1ccccc1 ZINC000878319267 1137710888 /nfs/dbraw/zinc/71/08/88/1137710888.db2.gz NMKGXWHNZOSPPX-LJQANCHMSA-N 1 1 325.456 3.838 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1Cc2ccccc2OC[C@H]1C)c1ccccc1 ZINC000878399197 1137714269 /nfs/dbraw/zinc/71/42/69/1137714269.db2.gz PBHWVAZMTMECLW-VGOFRKELSA-N 1 1 348.446 3.710 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1Cc2ccccc2OC[C@H]1C)c1ccccc1 ZINC000878399197 1137714270 /nfs/dbraw/zinc/71/42/70/1137714270.db2.gz PBHWVAZMTMECLW-VGOFRKELSA-N 1 1 348.446 3.710 20 30 EHEDMO N#Cc1ccccc1NC1CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000878964052 1137733645 /nfs/dbraw/zinc/73/36/45/1137733645.db2.gz YXFJHTKHIPJGHD-UHFFFAOYSA-N 1 1 326.831 3.683 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3ccc(C(F)(F)F)cc3C2)cc1 ZINC000879104849 1137737976 /nfs/dbraw/zinc/73/79/76/1137737976.db2.gz RDIQODQHMWDPGV-GOSISDBHSA-N 1 1 346.352 3.669 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCc3ccc(C(F)(F)F)cc3C2)cc1 ZINC000879104849 1137737977 /nfs/dbraw/zinc/73/79/77/1137737977.db2.gz RDIQODQHMWDPGV-GOSISDBHSA-N 1 1 346.352 3.669 20 30 EHEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC)c1cccc(OC)c1OC ZINC000879466335 1137748593 /nfs/dbraw/zinc/74/85/93/1137748593.db2.gz PUCQUVJDAZKQQG-KRWDZBQOSA-N 1 1 340.423 3.825 20 30 EHEDMO N#Cc1cccc(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)c1F ZINC000879552233 1137750637 /nfs/dbraw/zinc/75/06/37/1137750637.db2.gz UCXZGLBWYVBAMU-UHFFFAOYSA-N 1 1 340.402 3.727 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000879655240 1137754058 /nfs/dbraw/zinc/75/40/58/1137754058.db2.gz WYMSGNUCVUBIRO-JXXFODFXSA-N 1 1 349.519 3.942 20 30 EHEDMO N#CCc1cccc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)c1 ZINC000879845279 1137760593 /nfs/dbraw/zinc/76/05/93/1137760593.db2.gz PIYFWEXKHZEJDX-IBGZPJMESA-N 1 1 340.471 3.671 20 30 EHEDMO C=CCCC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000880225224 1137771382 /nfs/dbraw/zinc/77/13/82/1137771382.db2.gz RKGQIFSNWUBZJA-RAFMOHDBSA-N 1 1 326.484 3.868 20 30 EHEDMO N#Cc1csc(C[N@@H+]2CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C2)n1 ZINC000880276790 1137772787 /nfs/dbraw/zinc/77/27/87/1137772787.db2.gz KJMDWXZZMRUELN-HNNXBMFYSA-N 1 1 349.463 3.784 20 30 EHEDMO N#Cc1csc(C[N@H+]2CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C2)n1 ZINC000880276790 1137772788 /nfs/dbraw/zinc/77/27/88/1137772788.db2.gz KJMDWXZZMRUELN-HNNXBMFYSA-N 1 1 349.463 3.784 20 30 EHEDMO C[C@@H]1c2sccc2CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000880377720 1137777087 /nfs/dbraw/zinc/77/70/87/1137777087.db2.gz CVHKZIAEEVMZPG-CYBMUJFWSA-N 1 1 325.437 3.568 20 30 EHEDMO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2(C#N)CCCCC2)cn1 ZINC000880520547 1137780551 /nfs/dbraw/zinc/78/05/51/1137780551.db2.gz TZFFNTUQNCCQLM-JLYLLQBASA-N 1 1 326.488 3.995 20 30 EHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C3CC3)c(C#N)c2)C[C@H]1C ZINC000881125880 1137800743 /nfs/dbraw/zinc/80/07/43/1137800743.db2.gz WBCQFFFTLOYJRC-KDOFPFPSSA-N 1 1 340.471 3.772 20 30 EHEDMO C=CCCC[C@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)c1ccccc1 ZINC000882235384 1137824055 /nfs/dbraw/zinc/82/40/55/1137824055.db2.gz NWZKMXLCGYOTPH-QUCCMNQESA-N 1 1 337.467 3.968 20 30 EHEDMO C=C(C)C(C)(C)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000882396180 1137826325 /nfs/dbraw/zinc/82/63/25/1137826325.db2.gz JNQULLDUKXQGJO-SFHVURJKSA-N 1 1 327.472 3.512 20 30 EHEDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000130658487 1137840508 /nfs/dbraw/zinc/84/05/08/1137840508.db2.gz YRXMERWHFUWWNV-GCJKJVERSA-N 1 1 349.478 3.998 20 30 EHEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000130765064 1137841868 /nfs/dbraw/zinc/84/18/68/1137841868.db2.gz NAKGLWDCDKDLQI-HNAYVOBHSA-N 1 1 337.471 3.983 20 30 EHEDMO CC[N@H+](Cc1ccccc1)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000131011977 1137845139 /nfs/dbraw/zinc/84/51/39/1137845139.db2.gz UPENFDCJGFCBTD-UHFFFAOYSA-N 1 1 331.423 3.605 20 30 EHEDMO CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1ccc(C#N)cc1 ZINC000883290139 1137852979 /nfs/dbraw/zinc/85/29/79/1137852979.db2.gz LONQMZUKFICSIC-JOCHJYFZSA-N 1 1 348.494 3.551 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000108355695 1137889377 /nfs/dbraw/zinc/88/93/77/1137889377.db2.gz YHCSNJRBDSSBCG-CABCVRRESA-N 1 1 331.485 3.751 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000108355695 1137889378 /nfs/dbraw/zinc/88/93/78/1137889378.db2.gz YHCSNJRBDSSBCG-CABCVRRESA-N 1 1 331.485 3.751 20 30 EHEDMO CCn1ccnc1[C@H]1CCCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000331713629 1137918009 /nfs/dbraw/zinc/91/80/09/1137918009.db2.gz DZJBONNCNIRBKZ-QGZVFWFLSA-N 1 1 330.476 3.531 20 30 EHEDMO C[C@H]1C[NH+](Cc2ccccc2NCc2ccc(C#N)s2)C[C@H](C)O1 ZINC000119480834 1137942199 /nfs/dbraw/zinc/94/21/99/1137942199.db2.gz XUBLNOZYHAYUPE-GJZGRUSLSA-N 1 1 341.480 3.841 20 30 EHEDMO C#CC[C@H]1CC[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000886353040 1138070078 /nfs/dbraw/zinc/07/00/78/1138070078.db2.gz ANFPUYDYFYRLFG-ZDUSSCGKSA-N 1 1 327.453 3.522 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2csc(-c3ccc(OC)c(OC)c3)n2)C1 ZINC000886356048 1138070541 /nfs/dbraw/zinc/07/05/41/1138070541.db2.gz SLNWCUFHNCFRJX-AWEZNQCLSA-N 1 1 342.464 3.673 20 30 EHEDMO C=C(C)CN(CC)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064754988 1138072242 /nfs/dbraw/zinc/07/22/42/1138072242.db2.gz REQRCJLEWMLJMK-MRXNPFEDSA-N 1 1 335.517 3.568 20 30 EHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886619255 1138102771 /nfs/dbraw/zinc/10/27/71/1138102771.db2.gz XTKKACURSSWXLO-WFASDCNBSA-N 1 1 339.317 3.631 20 30 EHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886619255 1138102773 /nfs/dbraw/zinc/10/27/73/1138102773.db2.gz XTKKACURSSWXLO-WFASDCNBSA-N 1 1 339.317 3.631 20 30 EHEDMO C=CCCC[N@H+](C)CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000072666123 1138106851 /nfs/dbraw/zinc/10/68/51/1138106851.db2.gz MZNLRPILBAVZOJ-UHFFFAOYSA-N 1 1 340.851 3.584 20 30 EHEDMO COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(SC)c(C#N)c2)c1 ZINC000886690394 1138115861 /nfs/dbraw/zinc/11/58/61/1138115861.db2.gz VNIZWAPYIRUHNP-NSHDSACASA-N 1 1 330.409 3.511 20 30 EHEDMO C=CCC1(O)CC[NH+](Cc2nc(-c3ccc(C(C)C)cc3)no2)CC1 ZINC000886755958 1138132733 /nfs/dbraw/zinc/13/27/33/1138132733.db2.gz XLNAFHIFBCDUPG-UHFFFAOYSA-N 1 1 341.455 3.763 20 30 EHEDMO C=CCN1CCC([NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000091334232 1138218571 /nfs/dbraw/zinc/21/85/71/1138218571.db2.gz WRSBWKLTZSTXDY-ZDUSSCGKSA-N 1 1 332.879 3.528 20 30 EHEDMO CC[C@H]1C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)CCS1 ZINC000093502371 1138237900 /nfs/dbraw/zinc/23/79/00/1138237900.db2.gz VZURUZZSOISOAG-INIZCTEOSA-N 1 1 334.485 3.705 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)cc1 ZINC000093442661 1138238033 /nfs/dbraw/zinc/23/80/33/1138238033.db2.gz OFRZHMNGDQGPMS-NRFANRHFSA-N 1 1 337.467 3.592 20 30 EHEDMO N#Cc1ccc(N2CC[NH+](Cc3cnc4ccccc4c3)CC2)c(F)c1 ZINC000337128345 1138473398 /nfs/dbraw/zinc/47/33/98/1138473398.db2.gz HTZRYKUJLGJUSM-UHFFFAOYSA-N 1 1 346.409 3.568 20 30 EHEDMO C=CCCc1ccccc1NC(=O)N(C)CCCn1cc[nH+]c1C ZINC000337599035 1138617285 /nfs/dbraw/zinc/61/72/85/1138617285.db2.gz LHFWTRJBQLQNEL-UHFFFAOYSA-N 1 1 326.444 3.864 20 30 EHEDMO CN(Cc1cc(C#N)cs1)C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000887965289 1138999767 /nfs/dbraw/zinc/99/97/67/1138999767.db2.gz BOKVHWQNBQKAKL-MRXNPFEDSA-N 1 1 347.871 3.534 20 30 EHEDMO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCc1ccccn1 ZINC000152948956 1139115214 /nfs/dbraw/zinc/11/52/14/1139115214.db2.gz ZVLVPNOAQLAEEQ-UHFFFAOYSA-N 1 1 334.341 3.506 20 30 EHEDMO C=C(C)C[NH+]1CCC(N[C@@H]2CCCOc3ccc(OC)cc32)CC1 ZINC000152944687 1139115730 /nfs/dbraw/zinc/11/57/30/1139115730.db2.gz SYWDIRQSVCDUAF-LJQANCHMSA-N 1 1 330.472 3.539 20 30 EHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000175829998 1139521022 /nfs/dbraw/zinc/52/10/22/1139521022.db2.gz CKJIMYDJKADVIS-WBVHZDCISA-N 1 1 330.428 3.847 20 30 EHEDMO CN(CCC#N)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000176543981 1139564711 /nfs/dbraw/zinc/56/47/11/1139564711.db2.gz OWWCDMGUDZVWFR-UHFFFAOYSA-N 1 1 328.460 3.828 20 30 EHEDMO COC(=O)c1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000176972972 1139590284 /nfs/dbraw/zinc/59/02/84/1139590284.db2.gz ZGXQXSYMDBTPCL-UHFFFAOYSA-N 1 1 326.421 3.571 20 30 EHEDMO COC(=O)c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000176972972 1139590289 /nfs/dbraw/zinc/59/02/89/1139590289.db2.gz ZGXQXSYMDBTPCL-UHFFFAOYSA-N 1 1 326.421 3.571 20 30 EHEDMO C=C[C@H](CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000179450559 1139758023 /nfs/dbraw/zinc/75/80/23/1139758023.db2.gz LROSLNJCPGAWTB-QFUCXCTJSA-N 1 1 338.495 3.822 20 30 EHEDMO C=CCCCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000267320319 1140778524 /nfs/dbraw/zinc/77/85/24/1140778524.db2.gz DIIRHBORGIDWEC-IEBWSBKVSA-N 1 1 329.488 3.505 20 30 EHEDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000267829724 1140841432 /nfs/dbraw/zinc/84/14/32/1140841432.db2.gz QSSYPJHOMCURLR-FQEVSTJZSA-N 1 1 346.434 3.813 20 30 EHEDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000267829724 1140841441 /nfs/dbraw/zinc/84/14/41/1140841441.db2.gz QSSYPJHOMCURLR-FQEVSTJZSA-N 1 1 346.434 3.813 20 30 EHEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268211144 1140903839 /nfs/dbraw/zinc/90/38/39/1140903839.db2.gz OWUNJQJGYPDKGV-PXNSSMCTSA-N 1 1 326.484 3.924 20 30 EHEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000268645659 1140967518 /nfs/dbraw/zinc/96/75/18/1140967518.db2.gz FPQJYQGQCKMPBQ-PKOBYXMFSA-N 1 1 340.423 3.508 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000268663345 1140969409 /nfs/dbraw/zinc/96/94/09/1140969409.db2.gz IUYYIBHGFPOBOF-UHFFFAOYSA-N 1 1 349.482 3.582 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000268663345 1140969413 /nfs/dbraw/zinc/96/94/13/1140969413.db2.gz IUYYIBHGFPOBOF-UHFFFAOYSA-N 1 1 349.482 3.582 20 30 EHEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2csc([C@@H](C)OC)n2)cc1 ZINC000269106467 1141066242 /nfs/dbraw/zinc/06/62/42/1141066242.db2.gz VAGBKQMBTGBMDK-UONOGXRCSA-N 1 1 330.453 3.713 20 30 EHEDMO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000269401608 1141103798 /nfs/dbraw/zinc/10/37/98/1141103798.db2.gz GFDWONVXOQEKPM-UHFFFAOYSA-N 1 1 340.398 3.942 20 30 EHEDMO N#Cc1ccc(CNCc2ccc(C[NH+]3CCCCC3)cc2)c(F)c1 ZINC000269456848 1141111026 /nfs/dbraw/zinc/11/10/26/1141111026.db2.gz XEDQBABPMHDJSC-UHFFFAOYSA-N 1 1 337.442 3.973 20 30 EHEDMO C[N@H+]1CC[C@@H](CNc2ncccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270722704 1141262092 /nfs/dbraw/zinc/26/20/92/1141262092.db2.gz OSLBMVJMEOMCDH-WMLDXEAASA-N 1 1 344.821 3.851 20 30 EHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(N(C)C(C)C)nc1 ZINC000348636639 1141558732 /nfs/dbraw/zinc/55/87/32/1141558732.db2.gz RSAJZVSXLVHVDQ-UHFFFAOYSA-N 1 1 343.471 3.590 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(N(C)C(C)C)nc1 ZINC000348636639 1141558734 /nfs/dbraw/zinc/55/87/34/1141558734.db2.gz RSAJZVSXLVHVDQ-UHFFFAOYSA-N 1 1 343.471 3.590 20 30 EHEDMO CCOc1cc(C[NH+]2CCC(F)(C#N)CC2)ccc1OCC(C)C ZINC000348710530 1141569417 /nfs/dbraw/zinc/56/94/17/1141569417.db2.gz CZJJDRWSQBUCSC-UHFFFAOYSA-N 1 1 334.435 3.948 20 30 EHEDMO Cc1ccccc1C[N@H+](Cc1cc(C#N)n(C)c1)Cc1cccnc1 ZINC000349071062 1141632989 /nfs/dbraw/zinc/63/29/89/1141632989.db2.gz FJVGCKGXSIYULY-UHFFFAOYSA-N 1 1 330.435 3.803 20 30 EHEDMO Cc1ccccc1C[N@@H+](Cc1cc(C#N)n(C)c1)Cc1cccnc1 ZINC000349071062 1141632994 /nfs/dbraw/zinc/63/29/94/1141632994.db2.gz FJVGCKGXSIYULY-UHFFFAOYSA-N 1 1 330.435 3.803 20 30 EHEDMO Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000190460984 564066597 /nfs/dbraw/zinc/06/65/97/564066597.db2.gz GMLXGVIWBDLKBH-MRXNPFEDSA-N 1 1 334.533 3.535 20 30 EHEDMO CC[N@@H+](CCCC(C)(C)C#N)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821206792 945654273 /nfs/dbraw/zinc/65/42/73/945654273.db2.gz FLRLFGUBPZVLMM-AWEZNQCLSA-N 1 1 326.448 3.580 20 30 EHEDMO C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000459412464 1032083921 /nfs/dbraw/zinc/08/39/21/1032083921.db2.gz VUSSKVVYYDKRIR-WTOJCKNJSA-N 1 1 337.379 3.509 20 30 EHEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(Cc2cccc(OCCCC#N)c2)C[C@@H](C)C1 ZINC000430140958 1014298214 /nfs/dbraw/zinc/29/82/14/1014298214.db2.gz VWVCJJPIKIFLPZ-DBXWQHBBSA-N 1 1 341.499 3.531 20 30 EHEDMO CC(C)CC[N@H+](CCC#N)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449023079 1032095689 /nfs/dbraw/zinc/09/56/89/1032095689.db2.gz NDHLGHDJJFWPCT-UHFFFAOYSA-N 1 1 328.435 3.988 20 30 EHEDMO CC(C)CC[N@@H+](CCC#N)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449023079 1032095703 /nfs/dbraw/zinc/09/57/03/1032095703.db2.gz NDHLGHDJJFWPCT-UHFFFAOYSA-N 1 1 328.435 3.988 20 30 EHEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](CCSc2ccccc2)CC1 ZINC000471153829 1014988089 /nfs/dbraw/zinc/98/80/89/1014988089.db2.gz ZNAOSLOXLNVLTA-FQEVSTJZSA-N 1 1 337.492 3.661 20 30 EHEDMO Cc1ccc([C@@H]2CCCC[N@H+]2CC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000610215220 1015017227 /nfs/dbraw/zinc/01/72/27/1015017227.db2.gz BAMIZXOVYYOCIU-NRFANRHFSA-N 1 1 347.462 3.710 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c(F)c1 ZINC000157550326 1015077839 /nfs/dbraw/zinc/07/78/39/1015077839.db2.gz LMIBAAWCYJOUKG-QGZVFWFLSA-N 1 1 340.373 3.931 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c(F)c1 ZINC000157550326 1015077850 /nfs/dbraw/zinc/07/78/50/1015077850.db2.gz LMIBAAWCYJOUKG-QGZVFWFLSA-N 1 1 340.373 3.931 20 30 EHEDMO C[N@@H+](CCc1ccc(C#N)cc1)CCc1cccc(C(F)(F)F)n1 ZINC001208920964 1015608999 /nfs/dbraw/zinc/60/89/99/1015608999.db2.gz VDMTUJBDURNXRM-UHFFFAOYSA-N 1 1 333.357 3.689 20 30 EHEDMO O[C@@H](C[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000134776148 1015787993 /nfs/dbraw/zinc/78/79/93/1015787993.db2.gz XEPJEWDATIHWDJ-RTWAWAEBSA-N 1 1 341.401 3.904 20 30 EHEDMO C=C1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000339917399 1015916552 /nfs/dbraw/zinc/91/65/52/1015916552.db2.gz NQZNOMZHUDMDCV-UHFFFAOYSA-N 1 1 334.463 3.867 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cccnc2OC2CCCC2)no1 ZINC000904570363 1032135805 /nfs/dbraw/zinc/13/58/05/1032135805.db2.gz XIMNGJFAYCRBIB-OAHLLOKOSA-N 1 1 328.416 3.809 20 30 EHEDMO C#CCCC[N@@H+](Cc1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001209268132 1016043833 /nfs/dbraw/zinc/04/38/33/1016043833.db2.gz UWIFMACDKINJIO-QFIPXVFZSA-N 1 1 346.474 3.703 20 30 EHEDMO C[N@H+](Cc1ccc(Cl)cc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083128015 1016071321 /nfs/dbraw/zinc/07/13/21/1016071321.db2.gz CRNJHACPDDEIIY-HNNXBMFYSA-N 1 1 345.855 3.510 20 30 EHEDMO C[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083128015 1016071332 /nfs/dbraw/zinc/07/13/32/1016071332.db2.gz CRNJHACPDDEIIY-HNNXBMFYSA-N 1 1 345.855 3.510 20 30 EHEDMO C=CCCCCC[N@@H+]1C[C@@H](C)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001209422810 1016243314 /nfs/dbraw/zinc/24/33/14/1016243314.db2.gz IPRCFIOTVUDOAP-YLJYHZDGSA-N 1 1 327.472 3.503 20 30 EHEDMO COc1ccc([C@@H]2CC[N@@H+](CCCC3(C#N)CCOCC3)C2)cc1 ZINC000375606611 1016269647 /nfs/dbraw/zinc/26/96/47/1016269647.db2.gz IRZNOLHRESHXJO-GOSISDBHSA-N 1 1 328.456 3.585 20 30 EHEDMO CC[C@@H]1CN(c2nccc(C#N)c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000578459705 1016555271 /nfs/dbraw/zinc/55/52/71/1016555271.db2.gz ASSNTPWTGCATFZ-QGZVFWFLSA-N 1 1 340.858 3.707 20 30 EHEDMO CC[C@@H]1CN(c2nccc(C#N)c2Cl)CC[N@H+]1Cc1ccccc1 ZINC000578459705 1016555276 /nfs/dbraw/zinc/55/52/76/1016555276.db2.gz ASSNTPWTGCATFZ-QGZVFWFLSA-N 1 1 340.858 3.707 20 30 EHEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1(C#N)CCCCC1 ZINC000398193945 1016569753 /nfs/dbraw/zinc/56/97/53/1016569753.db2.gz SOKLPOUTKXPIQU-LJQANCHMSA-N 1 1 341.499 3.733 20 30 EHEDMO C=C(C)Cn1c(CCC(C)C)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460951448 1032149310 /nfs/dbraw/zinc/14/93/10/1032149310.db2.gz KRPDHTZQVUNBRZ-QZTJIDSGSA-N 1 1 347.551 3.609 20 30 EHEDMO C=C(C)[C@@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccc(F)c(F)c1 ZINC000547820525 1016830390 /nfs/dbraw/zinc/83/03/90/1016830390.db2.gz KOZHQBSJVULPIO-GOSISDBHSA-N 1 1 344.409 3.762 20 30 EHEDMO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000343745298 1032156898 /nfs/dbraw/zinc/15/68/98/1032156898.db2.gz HZDVQXHHQZTVLE-CYBMUJFWSA-N 1 1 342.409 3.948 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2ccc(Br)s2)no1 ZINC000904664363 1032188311 /nfs/dbraw/zinc/18/83/11/1032188311.db2.gz FNLBIKXWULGEBD-JTQLQIEISA-N 1 1 342.262 3.841 20 30 EHEDMO C=CCC[C@H]([NH2+]Cc1nnnn1Cc1ccccc1)c1ccccc1 ZINC000538190516 1032208970 /nfs/dbraw/zinc/20/89/70/1032208970.db2.gz HLRRQTVWPJAUCE-IBGZPJMESA-N 1 1 333.439 3.519 20 30 EHEDMO N#Cc1ccc(F)cc1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459518165 1032226857 /nfs/dbraw/zinc/22/68/57/1032226857.db2.gz JBQKXLLFZISKHL-UHFFFAOYSA-N 1 1 336.410 3.761 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000485008726 1032235749 /nfs/dbraw/zinc/23/57/49/1032235749.db2.gz WWUDGJIJSAJPAX-SJLPKXTDSA-N 1 1 345.487 3.978 20 30 EHEDMO CC(C)(CC#N)C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000459729619 1032435368 /nfs/dbraw/zinc/43/53/68/1032435368.db2.gz KIALTCBOWFCDSJ-UHFFFAOYSA-N 1 1 338.242 3.604 20 30 EHEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000459711731 1032442368 /nfs/dbraw/zinc/44/23/68/1032442368.db2.gz MIKZHHFJZHRVBK-HNNXBMFYSA-N 1 1 337.261 3.712 20 30 EHEDMO CCOC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000459711731 1032442363 /nfs/dbraw/zinc/44/23/63/1032442363.db2.gz MIKZHHFJZHRVBK-HNNXBMFYSA-N 1 1 337.261 3.712 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1OC ZINC000459772105 1032461256 /nfs/dbraw/zinc/46/12/56/1032461256.db2.gz UGIMFQPOFHHYJJ-RBUKOAKNSA-N 1 1 345.483 3.633 20 30 EHEDMO C[C@H]1C[C@H](NCc2ccc(-c3ccccc3C#N)cc2)C[N@@H+]1C1CC1 ZINC000537012220 1032482661 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325.481 3.716 20 30 EHEDMO C[N@H+](Cc1cc(C#N)cs1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000091932936 1019181983 /nfs/dbraw/zinc/18/19/83/1019181983.db2.gz VDMOQGUQCGDWTK-GOSISDBHSA-N 1 1 325.481 3.716 20 30 EHEDMO C[N@@H+](Cc1cc(C#N)cs1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000091932936 1019181993 /nfs/dbraw/zinc/18/19/93/1019181993.db2.gz VDMOQGUQCGDWTK-GOSISDBHSA-N 1 1 325.481 3.716 20 30 EHEDMO Cc1c[nH+]cn1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)C)C2 ZINC000602343041 1032816280 /nfs/dbraw/zinc/81/62/80/1032816280.db2.gz SSGMHAJESNGUPO-ZDUSSCGKSA-N 1 1 342.468 3.524 20 30 EHEDMO C=CC1CC[NH+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC001167401926 1019373896 /nfs/dbraw/zinc/37/38/96/1019373896.db2.gz GCDGFAFGCVFDCJ-UHFFFAOYSA-N 1 1 335.513 3.656 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ccccc3F)CC2)cc1F ZINC000513369288 1019574161 /nfs/dbraw/zinc/57/41/61/1019574161.db2.gz BSHQEGBGKAHJSS-UHFFFAOYSA-N 1 1 327.378 3.549 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCCN(c3ccccc3F)CC2)cc1F ZINC000513369288 1019574172 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3.515 20 30 EHEDMO Cc1cccc(NCCNc2ccc(C#N)cc2Br)[nH+]1 ZINC000341299710 1021386913 /nfs/dbraw/zinc/38/69/13/1021386913.db2.gz KACGRNJQMJPGLO-UHFFFAOYSA-N 1 1 331.217 3.548 20 30 EHEDMO Cc1sc(NC(=O)C[N@@H+](C)Cc2cccc(C)c2)c(C#N)c1C ZINC000426400540 1021479079 /nfs/dbraw/zinc/47/90/79/1021479079.db2.gz CZNQGRGQFWFZLI-UHFFFAOYSA-N 1 1 327.453 3.616 20 30 EHEDMO Cc1sc(NC(=O)C[N@H+](C)Cc2cccc(C)c2)c(C#N)c1C ZINC000426400540 1021479081 /nfs/dbraw/zinc/47/90/81/1021479081.db2.gz CZNQGRGQFWFZLI-UHFFFAOYSA-N 1 1 327.453 3.616 20 30 EHEDMO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@H](C)N(C)Cc1ccccc1 ZINC000602574377 1032984216 /nfs/dbraw/zinc/98/42/16/1032984216.db2.gz ZONQYPGTLCYZKA-MOPGFXCFSA-N 1 1 343.515 3.586 20 30 EHEDMO C=CCN(CC[N@H+]1CCC[C@H](C(F)(F)F)C1)C(=O)OC(C)(C)C ZINC001207205747 1021539327 /nfs/dbraw/zinc/53/93/27/1021539327.db2.gz NDPBDOJSUQMTDP-ZDUSSCGKSA-N 1 1 336.398 3.684 20 30 EHEDMO CC[C@@H](Nc1ccc(C#N)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471691417 1021722984 /nfs/dbraw/zinc/72/29/84/1021722984.db2.gz BDADYCLPWHCDAL-NHCUHLMSSA-N 1 1 335.451 3.650 20 30 EHEDMO CC[C@@H](Nc1ccc(C#N)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471691417 1021722998 /nfs/dbraw/zinc/72/29/98/1021722998.db2.gz BDADYCLPWHCDAL-NHCUHLMSSA-N 1 1 335.451 3.650 20 30 EHEDMO C=CCOc1ccc(C[N@H+](C)Cc2cc(C#N)cs2)cc1OC ZINC000897625144 1033014725 /nfs/dbraw/zinc/01/47/25/1033014725.db2.gz FJNKGPWVHQRNKC-UHFFFAOYSA-N 1 1 328.437 3.825 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1OC ZINC000897625144 1033014735 /nfs/dbraw/zinc/01/47/35/1033014735.db2.gz FJNKGPWVHQRNKC-UHFFFAOYSA-N 1 1 328.437 3.825 20 30 EHEDMO C=CCN(CCc1ccccc1)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000520130222 1021953412 /nfs/dbraw/zinc/95/34/12/1021953412.db2.gz INJKNHRDJWYQPK-OALUTQOASA-N 1 1 343.515 3.547 20 30 EHEDMO Cc1cccc(C[N@H+](CC(=O)NC2(C#N)CCCCC2)CC(C)C)c1 ZINC000520173132 1021985488 /nfs/dbraw/zinc/98/54/88/1021985488.db2.gz NNYRZRCMSAKHBI-UHFFFAOYSA-N 1 1 341.499 3.796 20 30 EHEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000134658890 1022092534 /nfs/dbraw/zinc/09/25/34/1022092534.db2.gz GGIFBXVJOBJLKA-CJNGLKHVSA-N 1 1 347.434 3.575 20 30 EHEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000134658890 1022092545 /nfs/dbraw/zinc/09/25/45/1022092545.db2.gz GGIFBXVJOBJLKA-CJNGLKHVSA-N 1 1 347.434 3.575 20 30 EHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](CC)Cc1cccs1 ZINC000060845621 1033030958 /nfs/dbraw/zinc/03/09/58/1033030958.db2.gz SRGYYDCSIWBVMY-KRWDZBQOSA-N 1 1 331.481 3.738 20 30 EHEDMO COCCOc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)o1 ZINC000891624741 1022142934 /nfs/dbraw/zinc/14/29/34/1022142934.db2.gz FUFMRKRCJKAHJR-UHFFFAOYSA-N 1 1 328.412 3.587 20 30 EHEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000441358914 1022173776 /nfs/dbraw/zinc/17/37/76/1022173776.db2.gz OYGKXADPISKISE-IBGZPJMESA-N 1 1 341.499 3.591 20 30 EHEDMO C=CCOc1ccccc1C[NH2+][C@H]1CCOc2ccc(OC)cc21 ZINC000341540984 1022200243 /nfs/dbraw/zinc/20/02/43/1022200243.db2.gz WATXDCBOMVDELD-SFHVURJKSA-N 1 1 325.408 3.873 20 30 EHEDMO Cc1cc(F)ncc1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000894421685 1022259246 /nfs/dbraw/zinc/25/92/46/1022259246.db2.gz FEBIXQQSZROSNX-UHFFFAOYSA-N 1 1 343.377 3.583 20 30 EHEDMO Clc1ccc(C#CC[NH+]2CCC(Oc3ccccn3)CC2)cc1 ZINC000437910355 1022259362 /nfs/dbraw/zinc/25/93/62/1022259362.db2.gz PBCWIELLWSLYAI-UHFFFAOYSA-N 1 1 326.827 3.630 20 30 EHEDMO Cn1cc[nH+]c1N1CCC(NC(=O)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000328738357 1022478977 /nfs/dbraw/zinc/47/89/77/1022478977.db2.gz HINYYAUBYUAHLY-HNNXBMFYSA-N 1 1 332.492 3.952 20 30 EHEDMO C[N@@H+](CCNC(=O)c1csc([C@H]2CCCO2)n1)C1CCCCC1 ZINC000328765285 1022484111 /nfs/dbraw/zinc/48/41/11/1022484111.db2.gz GTYSWOYLJGRVGX-OAHLLOKOSA-N 1 1 337.489 3.564 20 30 EHEDMO C[N@@H+](CCNC(=O)c1ccc2c(c1)NC(=O)C2(C)C)C1CCCC1 ZINC000328831745 1022508185 /nfs/dbraw/zinc/50/81/85/1022508185.db2.gz VEGCEXJARNLNGS-UHFFFAOYSA-N 1 1 329.444 3.745 20 30 EHEDMO C[C@@]1(CNC(=O)[C@H]2CCCC(=O)N2)CCC[N@H+]1Cc1ccccc1 ZINC000328841518 1022513829 /nfs/dbraw/zinc/51/38/29/1022513829.db2.gz ZOBSMJBXERYYHV-APWZRJJASA-N 1 1 329.444 3.507 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000330904707 1022706653 /nfs/dbraw/zinc/70/66/53/1022706653.db2.gz ZBDDOVITYYWGLD-KFWWJZLASA-N 1 1 346.500 3.508 20 30 EHEDMO CCCCCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001266889792 1022710173 /nfs/dbraw/zinc/71/01/73/1022710173.db2.gz CUZXQCTZUZAVHU-WMZOPIPTSA-N 1 1 347.503 3.588 20 30 EHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000438495002 1022723693 /nfs/dbraw/zinc/72/36/93/1022723693.db2.gz UMTKPPBNQFXPLB-KKSFZXQISA-N 1 1 333.435 3.549 20 30 EHEDMO CCc1c(C(=O)NCC[N@H+]2CCCC(C)(C)C2)[nH]c(C)c1C(C)=O ZINC000331308263 1022783930 /nfs/dbraw/zinc/78/39/30/1022783930.db2.gz WYFBEMDAEYJWSJ-UHFFFAOYSA-N 1 1 333.476 3.515 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000341681234 1022988877 /nfs/dbraw/zinc/98/88/77/1022988877.db2.gz VYCYOJUOGALRHH-UHFFFAOYSA-N 1 1 342.826 3.657 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000341681234 1022988882 /nfs/dbraw/zinc/98/88/82/1022988882.db2.gz VYCYOJUOGALRHH-UHFFFAOYSA-N 1 1 342.826 3.657 20 30 EHEDMO N#CC1(C[C@@H](O)C[N@@H+]2CC=C(c3c[nH]c4ccccc34)CC2)CCC1 ZINC000933818498 1023041510 /nfs/dbraw/zinc/04/15/10/1023041510.db2.gz BWGRBANWDLHNSA-QGZVFWFLSA-N 1 1 335.451 3.702 20 30 EHEDMO C[N@@H+](CCc1cccc2ccccc21)CC(=O)Nc1cccc(C#N)c1 ZINC000507288091 1023235823 /nfs/dbraw/zinc/23/58/23/1023235823.db2.gz YGOGZEBTWVECDD-UHFFFAOYSA-N 1 1 343.430 3.824 20 30 EHEDMO C=C(CC)CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000459081453 1023243707 /nfs/dbraw/zinc/24/37/07/1023243707.db2.gz RFTRTVAUWMNANP-HKUYNNGSSA-N 1 1 329.488 3.647 20 30 EHEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(C#N)cc2)C1 ZINC000058952345 1033130166 /nfs/dbraw/zinc/13/01/66/1033130166.db2.gz ZEDPHMQZLOKUBI-KRWDZBQOSA-N 1 1 347.462 3.720 20 30 EHEDMO Cn1cc(CNc2ccc(C3CC3)c[nH+]2)c(-c2ccc(C#N)cc2)n1 ZINC000897712364 1033138972 /nfs/dbraw/zinc/13/89/72/1033138972.db2.gz NEWRFGYNPVFNQL-UHFFFAOYSA-N 1 1 329.407 3.843 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000535808575 1023660238 /nfs/dbraw/zinc/66/02/38/1023660238.db2.gz MXXKYVKQKDLORK-RXVVDRJESA-N 1 1 326.484 3.700 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000535808575 1023660240 /nfs/dbraw/zinc/66/02/40/1023660240.db2.gz MXXKYVKQKDLORK-RXVVDRJESA-N 1 1 326.484 3.700 20 30 EHEDMO C=CCOc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000535808575 1023660243 /nfs/dbraw/zinc/66/02/43/1023660243.db2.gz MXXKYVKQKDLORK-RXVVDRJESA-N 1 1 326.484 3.700 20 30 EHEDMO C=CCOc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000535808575 1023660248 /nfs/dbraw/zinc/66/02/48/1023660248.db2.gz MXXKYVKQKDLORK-RXVVDRJESA-N 1 1 326.484 3.700 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761043265 1033157348 /nfs/dbraw/zinc/15/73/48/1033157348.db2.gz CKSOWWUHKKGAST-CHWSQXEVSA-N 1 1 346.418 3.535 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761043265 1033157359 /nfs/dbraw/zinc/15/73/59/1033157359.db2.gz CKSOWWUHKKGAST-CHWSQXEVSA-N 1 1 346.418 3.535 20 30 EHEDMO CC[C@H](CC#N)[NH2+]CC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 ZINC000594010934 1033159926 /nfs/dbraw/zinc/15/99/26/1033159926.db2.gz XWADWQFPWRATKL-GOSISDBHSA-N 1 1 327.472 3.583 20 30 EHEDMO C=C(C)C[N@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000181301921 1023898245 /nfs/dbraw/zinc/89/82/45/1023898245.db2.gz MMOPWUAUKUJMLB-UHFFFAOYSA-N 1 1 332.245 3.914 20 30 EHEDMO C=CCCCCCCCCC(=O)N1CCC[C@]2(C1)C[N@H+](C)CCO2 ZINC001269807065 1024141445 /nfs/dbraw/zinc/14/14/45/1024141445.db2.gz AVMYLNZALMCXRM-HXUWFJFHSA-N 1 1 336.520 3.616 20 30 EHEDMO C=CCCCCCCCCC(=O)N1CCC[C@]2(C1)C[N@@H+](C)CCO2 ZINC001269807065 1024141456 /nfs/dbraw/zinc/14/14/56/1024141456.db2.gz AVMYLNZALMCXRM-HXUWFJFHSA-N 1 1 336.520 3.616 20 30 EHEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H]3CCC[C@@H]32)sc2c1CCCC2 ZINC000614600627 1024169728 /nfs/dbraw/zinc/16/97/28/1024169728.db2.gz ZYNAKSYSKYJBOP-BBRMVZONSA-N 1 1 343.496 3.702 20 30 EHEDMO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000434621620 1024192028 /nfs/dbraw/zinc/19/20/28/1024192028.db2.gz VEGHLVHLEGSHGQ-HXUWFJFHSA-N 1 1 339.414 3.965 20 30 EHEDMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC000329801031 1024201309 /nfs/dbraw/zinc/20/13/09/1024201309.db2.gz JFWXOSBVGIVILY-CYBMUJFWSA-N 1 1 331.391 3.545 20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC000329885436 1024234373 /nfs/dbraw/zinc/23/43/73/1024234373.db2.gz URAOPIDNIFFUNX-HYVNUMGLSA-N 1 1 329.444 3.678 20 30 EHEDMO CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CCCc2[nH]c(=O)ccc21 ZINC000329884055 1024235130 /nfs/dbraw/zinc/23/51/30/1024235130.db2.gz RWWRSJBLOXQAET-HNNXBMFYSA-N 1 1 328.416 3.531 20 30 EHEDMO CC[C@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000425119701 1024251669 /nfs/dbraw/zinc/25/16/69/1024251669.db2.gz ZVNNYPZLJOIUCP-LAUBAEHRSA-N 1 1 349.478 3.988 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](COC)CC2)ccc1OC ZINC000449777189 1033196974 /nfs/dbraw/zinc/19/69/74/1033196974.db2.gz PSFIIEVBKWHGOV-QGZVFWFLSA-N 1 1 333.472 3.899 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@](C)(C[N@H+]2CCC[C@H](CC#N)C2)C1 ZINC000895314344 1024275712 /nfs/dbraw/zinc/27/57/12/1024275712.db2.gz SVBQYDZQKPINDA-VQIMIIECSA-N 1 1 335.492 3.649 20 30 EHEDMO COc1ccc(C[N@H+]2CCS[C@H](C)CC2)cc1OCCCC#N ZINC000190693794 1024328518 /nfs/dbraw/zinc/32/85/18/1024328518.db2.gz PRNHKHYZWXITIR-OAHLLOKOSA-N 1 1 334.485 3.705 20 30 EHEDMO Cc1cc(C)c(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c(=O)[nH]1 ZINC000330294355 1024441842 /nfs/dbraw/zinc/44/18/42/1024441842.db2.gz IMRHABNQJNJUNP-KRWDZBQOSA-N 1 1 331.460 3.658 20 30 EHEDMO Cc1cc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c(C#N)cn1 ZINC000425208682 1024442281 /nfs/dbraw/zinc/44/22/81/1024442281.db2.gz NMXNRINLGUJTNX-UHFFFAOYSA-N 1 1 340.858 3.627 20 30 EHEDMO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000280921017 1024464691 /nfs/dbraw/zinc/46/46/91/1024464691.db2.gz VDLPFBBZFWIUEO-QGZVFWFLSA-N 1 1 340.471 3.616 20 30 EHEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000434894881 1024487091 /nfs/dbraw/zinc/48/70/91/1024487091.db2.gz IDCSKSUEDPUIBA-OXQOHEQNSA-N 1 1 333.435 3.765 20 30 EHEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cccc(CC#N)c1 ZINC000281067424 1024615546 /nfs/dbraw/zinc/61/55/46/1024615546.db2.gz QMHVNGWZQJBYGB-TZIWHRDSSA-N 1 1 345.446 3.509 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000514650357 1024634654 /nfs/dbraw/zinc/63/46/54/1024634654.db2.gz IYICLHDWEQSIFU-KCUHQSDYSA-N 1 1 342.483 3.718 20 30 EHEDMO CCN(C(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1)C1CCCCC1 ZINC000346452614 1024744318 /nfs/dbraw/zinc/74/43/18/1024744318.db2.gz LBQSBKMKDJJKRY-UHFFFAOYSA-N 1 1 339.483 3.704 20 30 EHEDMO CCN(C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C1CCCCC1 ZINC000346452614 1024744329 /nfs/dbraw/zinc/74/43/29/1024744329.db2.gz LBQSBKMKDJJKRY-UHFFFAOYSA-N 1 1 339.483 3.704 20 30 EHEDMO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000346454677 1024748264 /nfs/dbraw/zinc/74/82/64/1024748264.db2.gz OZHQEVHNHBDRBA-MRXNPFEDSA-N 1 1 345.446 3.500 20 30 EHEDMO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000346454677 1024748277 /nfs/dbraw/zinc/74/82/77/1024748277.db2.gz OZHQEVHNHBDRBA-MRXNPFEDSA-N 1 1 345.446 3.500 20 30 EHEDMO CCC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC1CC1 ZINC000114724056 1024754233 /nfs/dbraw/zinc/75/42/33/1024754233.db2.gz RSPIGBVORXZGMX-OAHLLOKOSA-N 1 1 345.512 3.999 20 30 EHEDMO Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H](C)CC#N)c2c1C ZINC000343520533 1024759266 /nfs/dbraw/zinc/75/92/66/1024759266.db2.gz QMYOKOJDQJXYDA-NSHDSACASA-N 1 1 329.473 3.618 20 30 EHEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)c1 ZINC000602885134 1033237594 /nfs/dbraw/zinc/23/75/94/1033237594.db2.gz CBJCMPJGCXGIGH-MRXNPFEDSA-N 1 1 332.382 3.630 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000025410590 1024859664 /nfs/dbraw/zinc/85/96/64/1024859664.db2.gz DHQBCTNSFHSDEF-GOSISDBHSA-N 1 1 347.462 3.689 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000025410590 1024859682 /nfs/dbraw/zinc/85/96/82/1024859682.db2.gz DHQBCTNSFHSDEF-GOSISDBHSA-N 1 1 347.462 3.689 20 30 EHEDMO C[C@@H](c1ccccc1)[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000352821661 1024987209 /nfs/dbraw/zinc/98/72/09/1024987209.db2.gz BTDDZCKGPDLDHJ-JXFKEZNVSA-N 1 1 336.435 3.524 20 30 EHEDMO CC(=O)c1ccc(C#N)c(NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000435589020 1025020539 /nfs/dbraw/zinc/02/05/39/1025020539.db2.gz NVPNKUBBUFXVFJ-IBGZPJMESA-N 1 1 325.456 3.970 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[NH+]2CC(C)(C)CC(C)(C)C2)c(C#N)c1C ZINC000342352370 1025024554 /nfs/dbraw/zinc/02/45/54/1025024554.db2.gz IPWNVTSPQKDZHW-CYBMUJFWSA-N 1 1 331.460 3.853 20 30 EHEDMO CC(C)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000435679203 1025063773 /nfs/dbraw/zinc/06/37/73/1025063773.db2.gz WXLXUEUQOAWEND-OAHLLOKOSA-N 1 1 331.485 3.751 20 30 EHEDMO C=CCOc1cccc(C[N@@H+]2CC3(CC(OC)(OC)C3)[C@@H]2C(C)C)c1 ZINC000895996082 1025064694 /nfs/dbraw/zinc/06/46/94/1025064694.db2.gz OFYGIWVDELDCNZ-IBGZPJMESA-N 1 1 345.483 3.861 20 30 EHEDMO C=CCC(F)(F)C(=O)N1CC[C@H]2C[N@H+](C[C@H](CC)CCCC)C[C@H]21 ZINC001270000596 1025070098 /nfs/dbraw/zinc/07/00/98/1025070098.db2.gz GUXUMUIODTVIDU-IXDOHACOSA-N 1 1 342.474 3.947 20 30 EHEDMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000185451037 1025093668 /nfs/dbraw/zinc/09/36/68/1025093668.db2.gz NLMOTFVTIRAMOB-AWEZNQCLSA-N 1 1 329.444 3.638 20 30 EHEDMO COc1cc([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)ccc1OCC(C)C ZINC000119678601 1025177676 /nfs/dbraw/zinc/17/76/76/1025177676.db2.gz JRESUEWJGLGHEI-CVEARBPZSA-N 1 1 329.444 3.824 20 30 EHEDMO CC(C)C[N@@H+](CC(=O)N[C@H]1CCCC[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000521195620 1025270123 /nfs/dbraw/zinc/27/01/23/1025270123.db2.gz LDVHURSLOSXXTL-PXNSSMCTSA-N 1 1 341.499 3.711 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](c3noc(C)n3)C2)cc1Cl ZINC000896239289 1025280843 /nfs/dbraw/zinc/28/08/43/1025280843.db2.gz ILNCAVVVAUGKNH-CQSZACIVSA-N 1 1 333.819 3.586 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](c3noc(C)n3)C2)cc1Cl ZINC000896239289 1025280852 /nfs/dbraw/zinc/28/08/52/1025280852.db2.gz ILNCAVVVAUGKNH-CQSZACIVSA-N 1 1 333.819 3.586 20 30 EHEDMO C[C@H]1C[C@H]1c1noc(CC2CC[NH+](Cc3csc(C#N)c3)CC2)n1 ZINC000895158521 1025306973 /nfs/dbraw/zinc/30/69/73/1025306973.db2.gz XPRJCODHXBOAOK-BLLLJJGKSA-N 1 1 342.468 3.581 20 30 EHEDMO C[C@@H](NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000046527131 1033273510 /nfs/dbraw/zinc/27/35/10/1033273510.db2.gz YGBQJWYHAZWHCR-CQSZACIVSA-N 1 1 341.842 3.521 20 30 EHEDMO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000046527131 1033273522 /nfs/dbraw/zinc/27/35/22/1033273522.db2.gz YGBQJWYHAZWHCR-CQSZACIVSA-N 1 1 341.842 3.521 20 30 EHEDMO CC(C)(C#N)CCC[N@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000611578254 1025359116 /nfs/dbraw/zinc/35/91/16/1025359116.db2.gz ZJCRGSCLMCCJSQ-OAHLLOKOSA-N 1 1 328.378 3.742 20 30 EHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000521456718 1025392703 /nfs/dbraw/zinc/39/27/03/1025392703.db2.gz FPWVPJMLCWUAEA-SNVBAGLBSA-N 1 1 348.615 3.726 20 30 EHEDMO N#Cc1cc(Br)ccc1C[NH2+][C@@H](CCO)c1ccccc1 ZINC000347003555 1025418460 /nfs/dbraw/zinc/41/84/60/1025418460.db2.gz GIQAMZGGBUQTTL-KRWDZBQOSA-N 1 1 345.240 3.534 20 30 EHEDMO COc1cc(C[N@@H+](C)Cc2ccccc2N2CCCC2)ccc1C#N ZINC000442800438 1025493455 /nfs/dbraw/zinc/49/34/55/1025493455.db2.gz MDWRNGIRMHXHBD-UHFFFAOYSA-N 1 1 335.451 3.799 20 30 EHEDMO COc1cc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)ccc1C#N ZINC000442813945 1025509599 /nfs/dbraw/zinc/50/95/99/1025509599.db2.gz SNPSMJJPJVPZRT-UHFFFAOYSA-N 1 1 344.418 3.732 20 30 EHEDMO COc1ccc(C[N@@H+](Cc2ccccc2C#N)[C@H](C)CCCO)cc1 ZINC000602966516 1033290217 /nfs/dbraw/zinc/29/02/17/1033290217.db2.gz IEASMKLMAFOMGQ-QGZVFWFLSA-N 1 1 338.451 3.730 20 30 EHEDMO Cc1noc(C)c1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000329031421 1025574525 /nfs/dbraw/zinc/57/45/25/1025574525.db2.gz PTCAULVLUNURQW-FSPWUOQZSA-N 1 1 341.455 3.839 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000521686005 1025600417 /nfs/dbraw/zinc/60/04/17/1025600417.db2.gz UQGXSHCWEACFSR-UHFFFAOYSA-N 1 1 349.434 3.976 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000521686005 1025600420 /nfs/dbraw/zinc/60/04/20/1025600420.db2.gz UQGXSHCWEACFSR-UHFFFAOYSA-N 1 1 349.434 3.976 20 30 EHEDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000329110021 1025610578 /nfs/dbraw/zinc/61/05/78/1025610578.db2.gz QCRNHXUKJJRMAI-CVEARBPZSA-N 1 1 344.846 3.662 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H](CO)c1ccccc1 ZINC000449453367 1025614911 /nfs/dbraw/zinc/61/49/11/1025614911.db2.gz MORXIGVLFFUPSR-QGZVFWFLSA-N 1 1 334.341 3.742 20 30 EHEDMO C[C@H]1C[NH+](Cc2cc(C#N)ccc2Br)C[C@H](C)S1 ZINC000582217093 1025618225 /nfs/dbraw/zinc/61/82/25/1025618225.db2.gz ADTUQDYJPCNRGQ-QWRGUYRKSA-N 1 1 325.275 3.647 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000425532368 1025658075 /nfs/dbraw/zinc/65/80/75/1025658075.db2.gz JHHAKGUIKVSVMI-HRAATJIYSA-N 1 1 347.462 3.745 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000425532368 1025658080 /nfs/dbraw/zinc/65/80/80/1025658080.db2.gz JHHAKGUIKVSVMI-HRAATJIYSA-N 1 1 347.462 3.745 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000425538036 1025675979 /nfs/dbraw/zinc/67/59/79/1025675979.db2.gz RDYNURHWGOTBAR-ZHRRBRCNSA-N 1 1 347.462 3.819 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000425538036 1025675985 /nfs/dbraw/zinc/67/59/85/1025675985.db2.gz RDYNURHWGOTBAR-ZHRRBRCNSA-N 1 1 347.462 3.819 20 30 EHEDMO CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+]CCc2sccc2C)C1 ZINC000329263739 1025705510 /nfs/dbraw/zinc/70/55/10/1025705510.db2.gz FKDBRHRIZBRMLI-OAHLLOKOSA-N 1 1 346.500 3.609 20 30 EHEDMO N#Cc1ccc2ncc(C[NH2+]Cc3csc(-c4ccccc4)n3)n2c1 ZINC000123477294 1025717031 /nfs/dbraw/zinc/71/70/31/1025717031.db2.gz PFTAMGAISYNMPC-UHFFFAOYSA-N 1 1 345.431 3.619 20 30 EHEDMO Cc1nc2ccccc2n1CCC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000329307382 1025739068 /nfs/dbraw/zinc/73/90/68/1025739068.db2.gz ZBSYUEZQONOABA-MRXNPFEDSA-N 1 1 340.471 3.708 20 30 EHEDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000530422901 1025792159 /nfs/dbraw/zinc/79/21/59/1025792159.db2.gz ICKVYKOLOCZQJO-UHFFFAOYSA-N 1 1 341.499 3.680 20 30 EHEDMO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3nccc4ccccc43)C2)nc1 ZINC000896653731 1025809039 /nfs/dbraw/zinc/80/90/39/1025809039.db2.gz FXFJIYMSENBCGS-GOSISDBHSA-N 1 1 343.434 3.578 20 30 EHEDMO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3cc4ccccc4[nH]3)C2)nc1 ZINC000896654747 1025816014 /nfs/dbraw/zinc/81/60/14/1025816014.db2.gz RORPSSGODOFCLV-KRWDZBQOSA-N 1 1 331.423 3.511 20 30 EHEDMO C[C@H]([N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1)C(C)(C)O ZINC000451367887 1025851859 /nfs/dbraw/zinc/85/18/59/1025851859.db2.gz JGLNULSLSQFJKK-SFHVURJKSA-N 1 1 336.479 3.978 20 30 EHEDMO N#Cc1ccc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000611586649 1025899913 /nfs/dbraw/zinc/89/99/13/1025899913.db2.gz GTUNYTZDEZURHI-DNVJHFABSA-N 1 1 345.490 3.949 20 30 EHEDMO N#Cc1ccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000611586649 1025899927 /nfs/dbraw/zinc/89/99/27/1025899927.db2.gz GTUNYTZDEZURHI-DNVJHFABSA-N 1 1 345.490 3.949 20 30 EHEDMO NC(=O)C1(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000329484492 1025910792 /nfs/dbraw/zinc/91/07/92/1025910792.db2.gz SHMFCSAVLMLXAB-ZDUSSCGKSA-N 1 1 330.432 3.518 20 30 EHEDMO Cc1c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cnn1C1CCCCC1 ZINC000329515057 1025944689 /nfs/dbraw/zinc/94/46/89/1025944689.db2.gz OINRSBDJOQNYQV-MSOLQXFVSA-N 1 1 330.476 3.628 20 30 EHEDMO C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000609549707 1026064106 /nfs/dbraw/zinc/06/41/06/1026064106.db2.gz DJAPPMNSRUWUSD-FQEVSTJZSA-N 1 1 349.434 3.560 20 30 EHEDMO C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000609549707 1026064121 /nfs/dbraw/zinc/06/41/21/1026064121.db2.gz DJAPPMNSRUWUSD-FQEVSTJZSA-N 1 1 349.434 3.560 20 30 EHEDMO CCO[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C[C@@H]1C ZINC000451544627 1026092248 /nfs/dbraw/zinc/09/22/48/1026092248.db2.gz QAFFVLRFFGKLGK-LRDDRELGSA-N 1 1 337.261 3.568 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2csc(C#N)c2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC000896988700 1026210282 /nfs/dbraw/zinc/21/02/82/1026210282.db2.gz YFXVDHSKVFYQQE-DZGCQCFKSA-N 1 1 349.500 3.602 20 30 EHEDMO C[N@@H+](Cc1cc(C#N)ccc1Br)[C@H](CO)CC(C)(C)C ZINC000451778059 1026279041 /nfs/dbraw/zinc/27/90/41/1026279041.db2.gz CGQKCCHIXHCSCY-AWEZNQCLSA-N 1 1 339.277 3.550 20 30 EHEDMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H](C)c1ccc(C#N)cc1 ZINC000119859157 1026386709 /nfs/dbraw/zinc/38/67/09/1026386709.db2.gz FURCUJAHFYBYMO-OAHLLOKOSA-N 1 1 329.407 3.661 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)ccc1OC ZINC000475268772 1026430493 /nfs/dbraw/zinc/43/04/93/1026430493.db2.gz INJCAKPXDUKEAO-YWZLYKJASA-N 1 1 331.456 3.649 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)ccc1OC ZINC000475268772 1026430502 /nfs/dbraw/zinc/43/05/02/1026430502.db2.gz INJCAKPXDUKEAO-YWZLYKJASA-N 1 1 331.456 3.649 20 30 EHEDMO CC(C)N(CCC#N)C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000531056813 1026514682 /nfs/dbraw/zinc/51/46/82/1026514682.db2.gz SCHCKZVZIBJXLM-UHFFFAOYSA-N 1 1 349.478 3.839 20 30 EHEDMO CC(C)c1cccc2c1CC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000475401797 1026565796 /nfs/dbraw/zinc/56/57/96/1026565796.db2.gz YBTLBUYUBJCSBC-IERDGZPVSA-N 1 1 341.499 3.611 20 30 EHEDMO CC(C)c1cccc2c1CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000475401797 1026565809 /nfs/dbraw/zinc/56/58/09/1026565809.db2.gz YBTLBUYUBJCSBC-IERDGZPVSA-N 1 1 341.499 3.611 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277715204 1026666837 /nfs/dbraw/zinc/66/68/37/1026666837.db2.gz IUTHORMZMZMSGF-ZBFHGGJFSA-N 1 1 340.389 3.623 20 30 EHEDMO Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@H](C)CC#N)c2c1C ZINC000301542993 1026846338 /nfs/dbraw/zinc/84/63/38/1026846338.db2.gz KJNABPTVAPYXFT-GFCCVEGCSA-N 1 1 343.500 3.642 20 30 EHEDMO C=CCC(CC=C)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000123308499 1027163559 /nfs/dbraw/zinc/16/35/59/1027163559.db2.gz VUUJPTZOXVGZAO-UHFFFAOYSA-N 1 1 341.499 3.531 20 30 EHEDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000273497177 1027460532 /nfs/dbraw/zinc/46/05/32/1027460532.db2.gz PJONJFCPXLSVMW-KDOFPFPSSA-N 1 1 338.407 3.874 20 30 EHEDMO C[C@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000129649877 1027586151 /nfs/dbraw/zinc/58/61/51/1027586151.db2.gz QGFDUQSYNVZVKE-RBBFLIRBSA-N 1 1 337.511 3.853 20 30 EHEDMO C[C@H](NC1CC(C#N)(c2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000129649877 1027586164 /nfs/dbraw/zinc/58/61/64/1027586164.db2.gz QGFDUQSYNVZVKE-RBBFLIRBSA-N 1 1 337.511 3.853 20 30 EHEDMO C[C@H](NC1CC(C#N)(c2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000129649877 1027586175 /nfs/dbraw/zinc/58/61/75/1027586175.db2.gz QGFDUQSYNVZVKE-RBBFLIRBSA-N 1 1 337.511 3.853 20 30 EHEDMO C=C(C)C[NH+]1CCC(NCc2ccc(F)c(Br)c2)CC1 ZINC000106246177 1027687528 /nfs/dbraw/zinc/68/75/28/1027687528.db2.gz HWDTXAHGDKKYNR-UHFFFAOYSA-N 1 1 341.268 3.718 20 30 EHEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000282010229 1027745373 /nfs/dbraw/zinc/74/53/73/1027745373.db2.gz JNWAHMDXFCTPDN-SFHVURJKSA-N 1 1 337.442 3.590 20 30 EHEDMO C[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@@H]1O ZINC000193125899 1028006549 /nfs/dbraw/zinc/00/65/49/1028006549.db2.gz UPPBGGKAFOGDET-NQIIRXRSSA-N 1 1 334.463 3.589 20 30 EHEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1F)c1ccc(F)c(F)c1 ZINC000187771107 1028085812 /nfs/dbraw/zinc/08/58/12/1028085812.db2.gz PDZSAACFXFOLNP-GOSISDBHSA-N 1 1 334.341 3.949 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC1(c2ccccc2)CC1 ZINC000444687028 1028134815 /nfs/dbraw/zinc/13/48/15/1028134815.db2.gz YXPQQSGPCGNVNI-UHFFFAOYSA-N 1 1 333.435 3.550 20 30 EHEDMO C=CC[C@@H]1[N@@H+](Cc2cc(=O)n3cccc(C)c3n2)CCCC1(C)C ZINC000444783871 1028244750 /nfs/dbraw/zinc/24/47/50/1028244750.db2.gz MEFXQWPMJGFBGC-KRWDZBQOSA-N 1 1 325.456 3.570 20 30 EHEDMO CCC[C@]1(CO)CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000444775376 1028266299 /nfs/dbraw/zinc/26/62/99/1028266299.db2.gz IFBOCGOPWWSQFV-QGZVFWFLSA-N 1 1 341.373 3.564 20 30 EHEDMO C=CC[C@H]1[N@@H+](CC(=O)Nc2cccc(NC(C)=O)c2)CCCC1(C)C ZINC000444783442 1028280698 /nfs/dbraw/zinc/28/06/98/1028280698.db2.gz KZIHBZBVESVDOY-GOSISDBHSA-N 1 1 343.471 3.650 20 30 EHEDMO CN(C)C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000421360216 1028310987 /nfs/dbraw/zinc/31/09/87/1028310987.db2.gz YXIZDTDHVQETIK-SFHVURJKSA-N 1 1 331.822 3.743 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H](O)CC23CCC3)ccc1OC ZINC000421372420 1028331348 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Cc1cc(C[N@H+](C)Cc2cc(Br)cn2C)ccc1C#N ZINC000488235301 1038991007 /nfs/dbraw/zinc/99/10/07/1038991007.db2.gz SQLNFHJRNXXSMD-UHFFFAOYSA-N 1 1 332.245 3.600 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000488337782 1039098093 /nfs/dbraw/zinc/09/80/93/1039098093.db2.gz TUQFQNNLKGCCFY-QGZVFWFLSA-N 1 1 345.512 3.808 20 30 EHEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2CC2CCCCC2)cc1 ZINC000488443717 1039172790 /nfs/dbraw/zinc/17/27/90/1039172790.db2.gz VDXCYJHGLBNEAD-FQEVSTJZSA-N 1 1 339.483 3.609 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1cc2ccccc2o1 ZINC000175181603 1039412119 /nfs/dbraw/zinc/41/21/19/1039412119.db2.gz PBKXQMMXRAOHAV-UHFFFAOYSA-N 1 1 339.420 3.827 20 30 EHEDMO Cc1ccccc1[C@H](C(C)C)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000488809286 1039412175 /nfs/dbraw/zinc/41/21/75/1039412175.db2.gz XGSMKLMQRVULIH-PMACEKPBSA-N 1 1 329.488 3.678 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CC[C@@H](C)C2)c1 ZINC000429586756 1039429038 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EHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1 ZINC000614182799 1040412222 /nfs/dbraw/zinc/41/22/22/1040412222.db2.gz IOLDOZMGUZEOFG-NRFANRHFSA-N 1 1 334.463 3.931 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1 ZINC000614182799 1040412230 /nfs/dbraw/zinc/41/22/30/1040412230.db2.gz IOLDOZMGUZEOFG-NRFANRHFSA-N 1 1 334.463 3.931 20 30 EHEDMO C=C(CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000512660988 1040447828 /nfs/dbraw/zinc/44/78/28/1040447828.db2.gz PKNLVQRIVKROIO-UHFFFAOYSA-N 1 1 349.478 3.617 20 30 EHEDMO C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CCC#N ZINC000425998974 1040510558 /nfs/dbraw/zinc/51/05/58/1040510558.db2.gz BGFCBQZRROQAFU-LBPRGKRZSA-N 1 1 333.229 3.873 20 30 EHEDMO C=CCc1cc(CNCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc(OC)c1O ZINC000500135053 1040577528 /nfs/dbraw/zinc/57/75/28/1040577528.db2.gz SLYCDDMKMRHKMM-MRXNPFEDSA-N 1 1 346.515 3.729 20 30 EHEDMO C=CCc1cc(C[NH2+]CC(C)(C)N2CCC[C@@H](C)C2)cc(OC)c1O ZINC000500135053 1040577543 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N#CCc1cccc2c1CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000600213485 1040830625 /nfs/dbraw/zinc/83/06/25/1040830625.db2.gz HFDUIIOBOFUEEK-XBXARRHUSA-N 1 1 333.391 3.732 20 30 EHEDMO N#CCc1cccc2c1CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000600213485 1040830643 /nfs/dbraw/zinc/83/06/43/1040830643.db2.gz HFDUIIOBOFUEEK-XBXARRHUSA-N 1 1 333.391 3.732 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc(C#N)c(C(F)(F)F)n1 ZINC001167752747 1040839768 /nfs/dbraw/zinc/83/97/68/1040839768.db2.gz YYGYEMHQWGHEII-GFCCVEGCSA-N 1 1 326.366 3.648 20 30 EHEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000411482540 1040910601 /nfs/dbraw/zinc/91/06/01/1040910601.db2.gz CNLZRLRVLUNKNF-CYBMUJFWSA-N 1 1 334.366 3.616 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000411482540 1040910619 /nfs/dbraw/zinc/91/06/19/1040910619.db2.gz CNLZRLRVLUNKNF-CYBMUJFWSA-N 1 1 334.366 3.616 20 30 EHEDMO C=CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000487604745 1040986163 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EHEDMO C[N@@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)CC(C)(C)C#N ZINC000433305629 1041244789 /nfs/dbraw/zinc/24/47/89/1041244789.db2.gz OFYWIJQWSKZVLF-UHFFFAOYSA-N 1 1 349.478 3.764 20 30 EHEDMO C=CCC[C@@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)c1ccccc1 ZINC000364468198 1041381767 /nfs/dbraw/zinc/38/17/67/1041381767.db2.gz PCRHRKZKVRPHIZ-LJQANCHMSA-N 1 1 326.484 3.823 20 30 EHEDMO N#Cc1ccc2ncc(C[N@@H+]3CC[C@@H](c4ccc(Cl)cc4)C3)n2c1 ZINC000125374524 1041977502 /nfs/dbraw/zinc/97/75/02/1041977502.db2.gz YRSLMMNHNJQBDA-MRXNPFEDSA-N 1 1 336.826 3.849 20 30 EHEDMO CC[N@H+](CCNCc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000236880221 1042164871 /nfs/dbraw/zinc/16/48/71/1042164871.db2.gz FTGSDMYJGJKLFX-UHFFFAOYSA-N 1 1 349.478 3.711 20 30 EHEDMO CC[N@@H+](CCNCc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000236880221 1042164874 /nfs/dbraw/zinc/16/48/74/1042164874.db2.gz FTGSDMYJGJKLFX-UHFFFAOYSA-N 1 1 349.478 3.711 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000662079423 1042499887 /nfs/dbraw/zinc/49/98/87/1042499887.db2.gz FYTMRKDKBSLSTI-FZDIXFNVSA-N 1 1 335.875 3.962 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCCC1 ZINC000053814192 1042546342 /nfs/dbraw/zinc/54/63/42/1042546342.db2.gz YCGVRTIETZPXMZ-UHFFFAOYSA-N 1 1 331.485 3.702 20 30 EHEDMO C[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)C[C@H]1CCOC1 ZINC000093840320 1042552486 /nfs/dbraw/zinc/55/24/86/1042552486.db2.gz LMDBSAUBCVSYDL-GOSISDBHSA-N 1 1 336.435 3.606 20 30 EHEDMO CC(C)[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc2c(c1)OCCO2 ZINC000181986530 1042979880 /nfs/dbraw/zinc/97/98/80/1042979880.db2.gz AJOIVOLKJSEMJF-FQEVSTJZSA-N 1 1 340.398 3.955 20 30 EHEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H](C2CC2)C1)c1cccc(Cl)c1 ZINC000344018183 1043109884 /nfs/dbraw/zinc/10/98/84/1043109884.db2.gz VJEQGOSUTRLQPI-MRXNPFEDSA-N 1 1 345.874 3.709 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000344085574 1043224166 /nfs/dbraw/zinc/22/41/66/1043224166.db2.gz HMMAZRVDOCNWPD-DOTOQJQBSA-N 1 1 343.446 3.583 20 30 EHEDMO C[C@@H](c1ccco1)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279351505 1043988636 /nfs/dbraw/zinc/98/86/36/1043988636.db2.gz GAJOGVKAJAHDSL-HNNXBMFYSA-N 1 1 335.411 3.645 20 30 EHEDMO C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H](C)C1 ZINC000279469779 1044113618 /nfs/dbraw/zinc/11/36/18/1044113618.db2.gz VHMQDNJIQLAGOT-SJORKVTESA-N 1 1 337.471 3.727 20 30 EHEDMO C[N@@H+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@H](c2ccccc2)C1 ZINC000279833796 1044730314 /nfs/dbraw/zinc/73/03/14/1044730314.db2.gz HAYOLPNPQMYVFU-FQEVSTJZSA-N 1 1 347.462 3.617 20 30 EHEDMO C[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@H](c2ccccc2)C1 ZINC000279833796 1044730334 /nfs/dbraw/zinc/73/03/34/1044730334.db2.gz HAYOLPNPQMYVFU-FQEVSTJZSA-N 1 1 347.462 3.617 20 30 EHEDMO Cc1ccc(-c2noc([C@H](C)O[NH+]=C(N)C3CCCC3)n2)cc1F ZINC000072919937 1126934885 /nfs/dbraw/zinc/93/48/85/1126934885.db2.gz VSFBPPIXLZQCRU-NSHDSACASA-N 1 1 332.379 3.724 20 30 EHEDMO C=CCN1CCC([NH2+]Cc2cccc(F)c2OCC(F)(F)F)CC1 ZINC000623407663 1126946626 /nfs/dbraw/zinc/94/66/26/1126946626.db2.gz QGYVQUQAKNIBLY-UHFFFAOYSA-N 1 1 346.368 3.507 20 30 EHEDMO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)c2nccn2CC)cc1OC ZINC000623540983 1126980750 /nfs/dbraw/zinc/98/07/50/1126980750.db2.gz PSTGAZKOJTVUOE-CYBMUJFWSA-N 1 1 349.862 3.981 20 30 EHEDMO CC[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(F)cc1F ZINC000179625223 1127076076 /nfs/dbraw/zinc/07/60/76/1127076076.db2.gz BDQBMINGHQBQIN-KRWDZBQOSA-N 1 1 349.425 3.690 20 30 EHEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000183817811 1127387707 /nfs/dbraw/zinc/38/77/07/1127387707.db2.gz HIEZISPENIZPED-CABZTGNLSA-N 1 1 340.267 3.808 20 30 EHEDMO CCOc1ccc(/C=N/[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(O)c1 ZINC000764889455 1127546267 /nfs/dbraw/zinc/54/62/67/1127546267.db2.gz UHYIFZQRQMZEDL-JFVAUKISSA-N 1 1 338.451 3.730 20 30 EHEDMO N#Cc1cc(C[NH2+][C@H]2CCOc3ccc(Br)cc32)cs1 ZINC000921583754 1127757070 /nfs/dbraw/zinc/75/70/70/1127757070.db2.gz ZWQFZIYMTFADMH-AWEZNQCLSA-N 1 1 349.253 3.996 20 30 EHEDMO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000889190709 1127898007 /nfs/dbraw/zinc/89/80/07/1127898007.db2.gz PMDWKYUCYQZHMM-SJLPKXTDSA-N 1 1 332.513 3.994 20 30 EHEDMO COc1cccc([C@H]2[C@H](NCc3ccccc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000338634367 1127941620 /nfs/dbraw/zinc/94/16/20/1127941620.db2.gz WTTJZLDAFPJFTR-YADHBBJMSA-N 1 1 347.462 3.634 20 30 EHEDMO COc1cccc([C@H]2[C@H](NCc3ccccc3C#N)CC[N@H+]2C2CC2)c1 ZINC000338634367 1127941623 /nfs/dbraw/zinc/94/16/23/1127941623.db2.gz WTTJZLDAFPJFTR-YADHBBJMSA-N 1 1 347.462 3.634 20 30 EHEDMO CC[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000347501775 1128019780 /nfs/dbraw/zinc/01/97/80/1128019780.db2.gz IEHCNXYPMPHCJK-OAHLLOKOSA-N 1 1 333.863 3.627 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C)[C@H](C)C2)c1C ZINC000347579521 1128113947 /nfs/dbraw/zinc/11/39/47/1128113947.db2.gz IVTUEGAOEQJRJH-DOTOQJQBSA-N 1 1 327.472 3.528 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCCCCC1 ZINC000108355454 1128130830 /nfs/dbraw/zinc/13/08/30/1128130830.db2.gz CBBKSEDUUDEBEZ-OAHLLOKOSA-N 1 1 331.485 3.753 20 30 EHEDMO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1csc2ccccc21 ZINC000734506440 1131243111 /nfs/dbraw/zinc/24/31/11/1131243111.db2.gz SNNQEMXYMRGLRP-KPZWWZAWSA-N 1 1 335.432 3.650 20 30 EHEDMO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccc(C#N)cc1 ZINC000153588026 1128474354 /nfs/dbraw/zinc/47/43/54/1128474354.db2.gz PELAGZWEZAEHQF-ROUUACIJSA-N 1 1 333.479 3.804 20 30 EHEDMO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1ccc(C#N)cc1 ZINC000153588026 1128474356 /nfs/dbraw/zinc/47/43/56/1128474356.db2.gz PELAGZWEZAEHQF-ROUUACIJSA-N 1 1 333.479 3.804 20 30 EHEDMO COc1cccc([C@@H](C)[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000301189665 1128577705 /nfs/dbraw/zinc/57/77/05/1128577705.db2.gz LFJSSAYGSMQODT-OAHLLOKOSA-N 1 1 339.414 3.589 20 30 EHEDMO N#Cc1cccnc1N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000301267404 1128580921 /nfs/dbraw/zinc/58/09/21/1128580921.db2.gz IPZPFTKAWXCDQG-INIZCTEOSA-N 1 1 346.356 3.658 20 30 EHEDMO CN(c1ccc(Cl)c(C#N)n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000301443532 1128591815 /nfs/dbraw/zinc/59/18/15/1128591815.db2.gz PUNZACXTNZEEHQ-MRXNPFEDSA-N 1 1 340.858 3.707 20 30 EHEDMO C[C@H](CCNc1snc(Cl)c1C#N)[N@@H+](C)Cc1ccccc1 ZINC000301465516 1128592744 /nfs/dbraw/zinc/59/27/44/1128592744.db2.gz HLXDBCDVBMEGOE-GFCCVEGCSA-N 1 1 334.876 3.991 20 30 EHEDMO C[C@@H]1C[C@H](Nc2ccc(Cl)c(C#N)n2)C[N@H+]1Cc1ccccc1 ZINC000301625481 1128599322 /nfs/dbraw/zinc/59/93/22/1128599322.db2.gz PSGGXEIVQXDDEV-HIFRSBDPSA-N 1 1 326.831 3.682 20 30 EHEDMO CCc1nnc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c1CC ZINC000302041888 1128616532 /nfs/dbraw/zinc/61/65/32/1128616532.db2.gz ILJSPYYRKALRIC-GJZGRUSLSA-N 1 1 341.503 3.538 20 30 EHEDMO C[C@H]1C[C@H](Nc2cc(C#N)ccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000302196093 1128625399 /nfs/dbraw/zinc/62/53/99/1128625399.db2.gz DYAWNVWOTPLTLG-YOEHRIQHSA-N 1 1 336.395 3.541 20 30 EHEDMO CC1(C)CN(c2c(C#N)cccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000302885444 1128653525 /nfs/dbraw/zinc/65/35/25/1128653525.db2.gz MICHVNNDUXEBOU-UHFFFAOYSA-N 1 1 330.435 3.531 20 30 EHEDMO CN(c1c(C#N)cccc1C#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000302902547 1128654673 /nfs/dbraw/zinc/65/46/73/1128654673.db2.gz UESHGSFTNHUNTB-FQEVSTJZSA-N 1 1 330.435 3.531 20 30 EHEDMO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)s1 ZINC000123160524 1128660109 /nfs/dbraw/zinc/66/01/09/1128660109.db2.gz VMZRNORHCXGYOD-MRXNPFEDSA-N 1 1 330.428 3.940 20 30 EHEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)s1 ZINC000123160524 1128660111 /nfs/dbraw/zinc/66/01/11/1128660111.db2.gz VMZRNORHCXGYOD-MRXNPFEDSA-N 1 1 330.428 3.940 20 30 EHEDMO COc1ccc(Cl)cc1C[N@@H+](C)CCOc1ccccc1C#N ZINC000108718581 1128660262 /nfs/dbraw/zinc/66/02/62/1128660262.db2.gz JNOXYYPGFXSPAH-UHFFFAOYSA-N 1 1 330.815 3.731 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000303539274 1128682130 /nfs/dbraw/zinc/68/21/30/1128682130.db2.gz FXJACWUHMTXLTE-VGOFRKELSA-N 1 1 347.462 3.939 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000303539274 1128682133 /nfs/dbraw/zinc/68/21/33/1128682133.db2.gz FXJACWUHMTXLTE-VGOFRKELSA-N 1 1 347.462 3.939 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(C#N)c(F)c1 ZINC000361825304 1128715800 /nfs/dbraw/zinc/71/58/00/1128715800.db2.gz KFMSXHIEEWICEV-QGZVFWFLSA-N 1 1 337.442 3.794 20 30 EHEDMO C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000130907373 1128871245 /nfs/dbraw/zinc/87/12/45/1128871245.db2.gz UVMDZFOBBIWYFX-UHFFFAOYSA-N 1 1 339.508 3.964 20 30 EHEDMO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000130907373 1128871248 /nfs/dbraw/zinc/87/12/48/1128871248.db2.gz UVMDZFOBBIWYFX-UHFFFAOYSA-N 1 1 339.508 3.964 20 30 EHEDMO C[N@H+](Cc1ccccc1)CC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000130907373 1128871255 /nfs/dbraw/zinc/87/12/55/1128871255.db2.gz UVMDZFOBBIWYFX-UHFFFAOYSA-N 1 1 339.508 3.964 20 30 EHEDMO C#CCOc1ccc(C[NH2+]Cc2cscc2Br)cc1 ZINC001651096739 1120053829 /nfs/dbraw/zinc/05/38/29/1120053829.db2.gz KXXSPUQNHVAFJX-UHFFFAOYSA-N 1 1 336.254 3.812 20 30 EHEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H](O)c1ccc(Br)cc1 ZINC000109813499 1120126220 /nfs/dbraw/zinc/12/62/20/1120126220.db2.gz YXVQUSGOQDSOGV-OAHLLOKOSA-N 1 1 339.277 3.744 20 30 EHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)c1ccc(Br)cc1 ZINC000109813499 1120126225 /nfs/dbraw/zinc/12/62/25/1120126225.db2.gz YXVQUSGOQDSOGV-OAHLLOKOSA-N 1 1 339.277 3.744 20 30 EHEDMO Cc1cccc2nc(CNC(=[NH2+])Nc3ccc(OC(C)C)cc3)[nH]c21 ZINC000263003854 1120313078 /nfs/dbraw/zinc/31/30/78/1120313078.db2.gz OYRROEZPMHPODV-UHFFFAOYSA-N 1 1 337.427 3.585 20 30 EHEDMO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000185098549 1120400187 /nfs/dbraw/zinc/40/01/87/1120400187.db2.gz UVQOMPYHUZAQCR-INIZCTEOSA-N 1 1 334.891 3.977 20 30 EHEDMO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000185098549 1120400189 /nfs/dbraw/zinc/40/01/89/1120400189.db2.gz UVQOMPYHUZAQCR-INIZCTEOSA-N 1 1 334.891 3.977 20 30 EHEDMO C/C(=C\c1ccccc1)C[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000494292705 1120528021 /nfs/dbraw/zinc/52/80/21/1120528021.db2.gz IOILOMDUPLNLKZ-KNTRCKAVSA-N 1 1 347.462 3.969 20 30 EHEDMO C/C(=C\c1ccccc1)C[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000494292705 1120528023 /nfs/dbraw/zinc/52/80/23/1120528023.db2.gz IOILOMDUPLNLKZ-KNTRCKAVSA-N 1 1 347.462 3.969 20 30 EHEDMO C[C@@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000193044716 1120757143 /nfs/dbraw/zinc/75/71/43/1120757143.db2.gz PLUYIQHKEDYUHU-CVEARBPZSA-N 1 1 342.487 3.730 20 30 EHEDMO C=CCN(Cc1ccccc1)C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000193850691 1120803401 /nfs/dbraw/zinc/80/34/01/1120803401.db2.gz UNRBJMDLFNIOBX-UHFFFAOYSA-N 1 1 338.455 3.590 20 30 EHEDMO CC[C@@H](C/N=C\c1cc(OC)ccc1O)[N@H+]1CCc2ccccc2C1 ZINC000914702035 1120956242 /nfs/dbraw/zinc/95/62/42/1120956242.db2.gz VKRKFNAKJYECFD-CVHFWEDTSA-N 1 1 338.451 3.657 20 30 EHEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+]([C@H](C)Cc1cccc(F)c1)CC2 ZINC001168484035 1121035787 /nfs/dbraw/zinc/03/57/87/1121035787.db2.gz CTXILFVQUAQAFD-DYESRHJHSA-N 1 1 344.474 3.790 20 30 EHEDMO CC[N@@H+](C[C@H](O)COc1ccccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000193726908 1121589962 /nfs/dbraw/zinc/58/99/62/1121589962.db2.gz RQYPFZYFSNLZPP-YJBOKZPZSA-N 1 1 342.414 3.520 20 30 EHEDMO CC[N@H+]1CCC[C@H]1Cn1c(C)cc(C=NNc2ccc(C#N)cc2)c1C ZINC000915961611 1122008117 /nfs/dbraw/zinc/00/81/17/1122008117.db2.gz HTODYOQBYPXENO-NRFANRHFSA-N 1 1 349.482 3.907 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000488073948 1122045446 /nfs/dbraw/zinc/04/54/46/1122045446.db2.gz MKGSTLHXLWBRMS-AWEZNQCLSA-N 1 1 327.378 3.720 20 30 EHEDMO N#Cc1ccc(CN[NH+]=Cc2c(Cl)cccc2N2CCCC2)cc1 ZINC000763369354 1122145809 /nfs/dbraw/zinc/14/58/09/1122145809.db2.gz GWBLRCVBKOCIDR-UHFFFAOYSA-N 1 1 338.842 3.936 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CCCC(C)(C)C#N)C[C@@H]2C1 ZINC000496776292 1122176534 /nfs/dbraw/zinc/17/65/34/1122176534.db2.gz JGRQFHUFPWJRLE-HZPDHXFCSA-N 1 1 335.492 3.505 20 30 EHEDMO 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UWIWHPYQVOKFNR-ZWAQGKOVSA-N 1 1 338.451 3.730 20 30 EHEDMO Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N[C@@H](C#N)c2ccccc2)C1 ZINC001182321037 1133630618 /nfs/dbraw/zinc/63/06/18/1133630618.db2.gz ZXCONMBRRCPMRP-SFTDATJTSA-N 1 1 347.462 3.588 20 30 EHEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C(=O)OC)o2)C1 ZINC001182543762 1133699796 /nfs/dbraw/zinc/69/97/96/1133699796.db2.gz NGDIZCNGQVIHNJ-MRXNPFEDSA-N 1 1 337.419 3.969 20 30 EHEDMO N#Cc1ccc(COC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c(Cl)c1 ZINC000786885965 1133924384 /nfs/dbraw/zinc/92/43/84/1133924384.db2.gz BTXCDUVGPNQAPJ-KRWDZBQOSA-N 1 1 332.831 3.662 20 30 EHEDMO Cc1cc(NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC001185158597 1134041335 /nfs/dbraw/zinc/04/13/35/1134041335.db2.gz PTMIZRABBGCREP-CYBMUJFWSA-N 1 1 330.432 3.697 20 30 EHEDMO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCCCC1 ZINC000788460371 1134127913 /nfs/dbraw/zinc/12/79/13/1134127913.db2.gz QECPCNZJPCWXOV-UYAOXDASSA-N 1 1 338.495 3.597 20 30 EHEDMO CCCCCCCOc1ccc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)cc1 ZINC000789767834 1134328995 /nfs/dbraw/zinc/32/89/95/1134328995.db2.gz LEIYZKUGUSBMIB-NRFANRHFSA-N 1 1 344.499 3.748 20 30 EHEDMO CC(C)[NH+]1CC(Nc2c(C#N)c(Cl)nc3cccc(Cl)c32)C1 ZINC001157533573 1134438616 /nfs/dbraw/zinc/43/86/16/1134438616.db2.gz WIFGRDMWUYHEEX-UHFFFAOYSA-N 1 1 335.238 3.918 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)nc1 ZINC000790992494 1134489376 /nfs/dbraw/zinc/48/93/76/1134489376.db2.gz LUONSZUNKDWCOD-UHFFFAOYSA-N 1 1 325.318 3.781 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N[C@]2(C)CCC[N@H+](C)C2)c1 ZINC001189284786 1134561165 /nfs/dbraw/zinc/56/11/65/1134561165.db2.gz BIUJAQRBIICHKK-HXUWFJFHSA-N 1 1 329.488 3.738 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)OCc2ccnc(C#N)c2)cc1)C(C)C ZINC000747054852 1134641576 /nfs/dbraw/zinc/64/15/76/1134641576.db2.gz YAIMVYWGOTZGIN-UHFFFAOYSA-N 1 1 337.423 3.541 20 30 EHEDMO CN(C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C ZINC000792233191 1134669418 /nfs/dbraw/zinc/66/94/18/1134669418.db2.gz QBGZYWYXTLRILV-INIZCTEOSA-N 1 1 347.434 3.529 20 30 EHEDMO CN(C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C ZINC000792233191 1134669422 /nfs/dbraw/zinc/66/94/22/1134669422.db2.gz QBGZYWYXTLRILV-INIZCTEOSA-N 1 1 347.434 3.529 20 30 EHEDMO CCN(CC)[C@@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170388751 1134762135 /nfs/dbraw/zinc/76/21/35/1134762135.db2.gz CEYULTBRPCNIHD-NYLDSWQDSA-N 1 1 325.500 3.807 20 30 EHEDMO CC[NH+](CC)[C@@H]1CCN(C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170388751 1134762139 /nfs/dbraw/zinc/76/21/39/1134762139.db2.gz CEYULTBRPCNIHD-NYLDSWQDSA-N 1 1 325.500 3.807 20 30 EHEDMO COc1cc2c(cn1)CC[N@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170406005 1134770397 /nfs/dbraw/zinc/77/03/97/1134770397.db2.gz QECOZUBZDFZIOG-UHFFFAOYSA-N 1 1 347.462 3.852 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[NH+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001191030257 1134781148 /nfs/dbraw/zinc/78/11/48/1134781148.db2.gz NDYVKZNXNARPMM-BZUAXINKSA-N 1 1 343.471 3.949 20 30 EHEDMO CCCCCCCNC(=O)NC1CCN(c2[nH+]cccc2C)CC1 ZINC001191115529 1134795828 /nfs/dbraw/zinc/79/58/28/1134795828.db2.gz MMXBNTWCOKZUHH-UHFFFAOYSA-N 1 1 332.492 3.628 20 30 EHEDMO N=C(N)N[NH+]=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000792862266 1134801095 /nfs/dbraw/zinc/80/10/95/1134801095.db2.gz OOGLJFRWZVHCDY-UHFFFAOYSA-N 1 1 329.407 3.973 20 30 EHEDMO CCCCCCCCCNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000792968425 1134833142 /nfs/dbraw/zinc/83/31/42/1134833142.db2.gz IGNFTZKPRBZFPU-UHFFFAOYSA-N 1 1 345.491 3.703 20 30 EHEDMO C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001191444091 1134867565 /nfs/dbraw/zinc/86/75/65/1134867565.db2.gz HVMYOLWROMHGEE-VXKWHMMOSA-N 1 1 334.463 3.936 20 30 EHEDMO C#Cc1cccc(NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000775472719 1134897733 /nfs/dbraw/zinc/89/77/33/1134897733.db2.gz FEEHBBLTPZJZBP-NRFANRHFSA-N 1 1 347.462 3.700 20 30 EHEDMO CC[C@@H](C#N)Oc1cccc(CNc2cc[nH+]cc2Br)c1 ZINC000775476995 1134914947 /nfs/dbraw/zinc/91/49/47/1134914947.db2.gz KNIROASJKKVQJQ-ZDUSSCGKSA-N 1 1 346.228 3.559 20 30 EHEDMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+](CCC#N)Cc1cccnc1 ZINC001170431280 1134918394 /nfs/dbraw/zinc/91/83/94/1134918394.db2.gz IVDPRDXBKJBWQV-SFHVURJKSA-N 1 1 337.423 3.547 20 30 EHEDMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](CCC#N)Cc1cccnc1 ZINC001170431280 1134918402 /nfs/dbraw/zinc/91/84/02/1134918402.db2.gz IVDPRDXBKJBWQV-SFHVURJKSA-N 1 1 337.423 3.547 20 30 EHEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2OC)C1(CC)CC ZINC001191820723 1134928989 /nfs/dbraw/zinc/92/89/89/1134928989.db2.gz HCTGPWOHNGSBAI-MOPGFXCFSA-N 1 1 330.472 3.982 20 30 EHEDMO C#CC[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)CC1CC1 ZINC001192305218 1135002208 /nfs/dbraw/zinc/00/22/08/1135002208.db2.gz WRWBOWNDAUCJEA-GFCCVEGCSA-N 1 1 339.266 3.516 20 30 EHEDMO C#CC[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)CC1CC1 ZINC001192305218 1135002213 /nfs/dbraw/zinc/00/22/13/1135002213.db2.gz WRWBOWNDAUCJEA-GFCCVEGCSA-N 1 1 339.266 3.516 20 30 EHEDMO N#Cc1ccc(C(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)o1 ZINC001192682557 1135044310 /nfs/dbraw/zinc/04/43/10/1135044310.db2.gz BFTDRVZVSPYZKM-UHFFFAOYSA-N 1 1 343.386 3.919 20 30 EHEDMO N#Cc1ccc(C(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)o1 ZINC001192682557 1135044316 /nfs/dbraw/zinc/04/43/16/1135044316.db2.gz BFTDRVZVSPYZKM-UHFFFAOYSA-N 1 1 343.386 3.919 20 30 EHEDMO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](C(C)(C)C)C2)c(C#N)c1C ZINC001193807191 1135187216 /nfs/dbraw/zinc/18/72/16/1135187216.db2.gz IPKYFCSSCQWWFJ-CQSZACIVSA-N 1 1 333.501 3.933 20 30 EHEDMO CN(CCC[N@@H+](C)Cc1ccco1)c1nc2ccccc2cc1C#N ZINC000804841408 1135208093 /nfs/dbraw/zinc/20/80/93/1135208093.db2.gz TVEBQVIJHOTWLJ-UHFFFAOYSA-N 1 1 334.423 3.658 20 30 EHEDMO C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001170501691 1135407981 /nfs/dbraw/zinc/40/79/81/1135407981.db2.gz SDYRACGWFQWTAD-HNNXBMFYSA-N 1 1 325.843 3.922 20 30 EHEDMO Cc1ccc(C[N@@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)cc1C#N ZINC001195595366 1135439899 /nfs/dbraw/zinc/43/98/99/1135439899.db2.gz BIGZMKYTTSPADX-UHFFFAOYSA-N 1 1 330.334 3.820 20 30 EHEDMO CCCCCCCCC[N@@H+]1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 ZINC001196073079 1135512734 /nfs/dbraw/zinc/51/27/34/1135512734.db2.gz GMFHQZQSMAKVPL-ZIAGYGMSSA-N 1 1 343.455 3.644 20 30 EHEDMO CCCCCCCCC[N@H+]1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 ZINC001196073079 1135512740 /nfs/dbraw/zinc/51/27/40/1135512740.db2.gz GMFHQZQSMAKVPL-ZIAGYGMSSA-N 1 1 343.455 3.644 20 30 EHEDMO CC1(C)CC[C@H](CO)[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001196367368 1135551312 /nfs/dbraw/zinc/55/13/12/1135551312.db2.gz HWWDFTXXYKXMBT-MRXNPFEDSA-N 1 1 325.374 3.540 20 30 EHEDMO CC[C@]1(C)CC(=O)N(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)C1 ZINC000808148095 1135624219 /nfs/dbraw/zinc/62/42/19/1135624219.db2.gz TVBOTNLNMVROIU-HXUWFJFHSA-N 1 1 327.472 3.622 20 30 EHEDMO C#CC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC001197700878 1135727664 /nfs/dbraw/zinc/72/76/64/1135727664.db2.gz AHZPRVCCSHWBAB-QUCCMNQESA-N 1 1 346.474 3.950 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC001197825944 1135744173 /nfs/dbraw/zinc/74/41/73/1135744173.db2.gz HVMLRAJNOAKRSG-CQSZACIVSA-N 1 1 328.403 3.967 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC001197825944 1135744175 /nfs/dbraw/zinc/74/41/75/1135744175.db2.gz HVMLRAJNOAKRSG-CQSZACIVSA-N 1 1 328.403 3.967 20 30 EHEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC001198492162 1135823158 /nfs/dbraw/zinc/82/31/58/1135823158.db2.gz YSAITAUNSTYYFQ-MRXNPFEDSA-N 1 1 342.439 3.707 20 30 EHEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC001198492162 1135823164 /nfs/dbraw/zinc/82/31/64/1135823164.db2.gz YSAITAUNSTYYFQ-MRXNPFEDSA-N 1 1 342.439 3.707 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1 ZINC000809575751 1135853053 /nfs/dbraw/zinc/85/30/53/1135853053.db2.gz CVIQGIJODLHLQX-VQIMIIECSA-N 1 1 342.483 3.793 20 30 EHEDMO C#C[C@@H]([NH2+][C@H](C)Cc1cccc(OC)n1)c1ccc(Cl)cc1F ZINC000809699533 1135869155 /nfs/dbraw/zinc/86/91/55/1135869155.db2.gz SPDNKXPKWUPNBJ-SJKOYZFVSA-N 1 1 332.806 3.778 20 30 EHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(N(C)C)c(F)c1 ZINC000809702556 1135869516 /nfs/dbraw/zinc/86/95/16/1135869516.db2.gz VJFQGXNAKWQBGF-UHFFFAOYSA-N 1 1 332.419 3.555 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(N(C)C)c(F)c1 ZINC000809702556 1135869519 /nfs/dbraw/zinc/86/95/19/1135869519.db2.gz VJFQGXNAKWQBGF-UHFFFAOYSA-N 1 1 332.419 3.555 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)s1 ZINC000809719988 1135878027 /nfs/dbraw/zinc/87/80/27/1135878027.db2.gz UTCAGDMVVYAGIA-OAHLLOKOSA-N 1 1 347.484 3.643 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)s1 ZINC000809719988 1135878030 /nfs/dbraw/zinc/87/80/30/1135878030.db2.gz UTCAGDMVVYAGIA-OAHLLOKOSA-N 1 1 347.484 3.643 20 30 EHEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1 ZINC000809753155 1135885567 /nfs/dbraw/zinc/88/55/67/1135885567.db2.gz ZJDKANJQLYZCDG-HXUWFJFHSA-N 1 1 342.446 3.833 20 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ANFATKYCWRWYTF-UHFFFAOYSA-N 1 1 343.519 3.737 20 30 EHEDMO CCCCCCCCC[N@H+]1CC[C@@]2(CC(=O)N(c3cnn(C)c3)C2)C1 ZINC001201846914 1136070493 /nfs/dbraw/zinc/07/04/93/1136070493.db2.gz PMGPUSNJNQOCRF-HXUWFJFHSA-N 1 1 346.519 3.600 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(CN2C[C@H]3CCC[N@H+]3Cc3ccccc32)cc1 ZINC000811508139 1136101674 /nfs/dbraw/zinc/10/16/74/1136101674.db2.gz CDWQEANYWQYBII-FXAWDEMLSA-N 1 1 347.462 3.962 20 30 EHEDMO C[C@H]1C(N=Nc2cc(C#N)cc(Cl)n2)CC[N@H+]1Cc1ccccc1 ZINC000811646117 1136116464 /nfs/dbraw/zinc/11/64/64/1136116464.db2.gz LGHSKIVXSHAGRW-ZDUSSCGKSA-N 1 1 339.830 3.669 20 30 EHEDMO C=C(C)COc1cc(C[NH2+]Cc2csc(CC)n2)ccc1OC ZINC000107715686 1136176306 /nfs/dbraw/zinc/17/63/06/1136176306.db2.gz KTCJKLGJECUMAC-UHFFFAOYSA-N 1 1 332.469 3.959 20 30 EHEDMO C#CCOc1ccc(C(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)cc1 ZINC000812738815 1136240561 /nfs/dbraw/zinc/24/05/61/1136240561.db2.gz BUVUQQMUKDDBML-UHFFFAOYSA-N 1 1 345.402 3.753 20 30 EHEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000812771444 1136244879 /nfs/dbraw/zinc/24/48/79/1136244879.db2.gz ULNFZPNRWPWXAK-UHFFFAOYSA-N 1 1 339.826 3.529 20 30 EHEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2c(OC)cccc2OC)cc1 ZINC000850505750 1136274200 /nfs/dbraw/zinc/27/42/00/1136274200.db2.gz XCOVBDAYFMRITG-HNNXBMFYSA-N 1 1 325.408 3.567 20 30 EHEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2c(OC)cccc2OC)cc1 ZINC000850505751 1136274211 /nfs/dbraw/zinc/27/42/11/1136274211.db2.gz XCOVBDAYFMRITG-OAHLLOKOSA-N 1 1 325.408 3.567 20 30 EHEDMO C[C@@H](CC(C)(C)C#N)OC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000851206878 1136351198 /nfs/dbraw/zinc/35/11/98/1136351198.db2.gz QMQOUZYHHAQZSQ-NSHDSACASA-N 1 1 348.353 3.690 20 30 EHEDMO C#CC[N@H+](Cc1cnc(-c2ccccc2OC)nc1)C1CCCCC1 ZINC000814168200 1136414863 /nfs/dbraw/zinc/41/48/63/1136414863.db2.gz BQODVSMJRCMCGL-UHFFFAOYSA-N 1 1 335.451 3.920 20 30 EHEDMO COc1ccc(Br)c(C[NH2+]CC#Cc2ccccc2)c1 ZINC000747914700 1136420179 /nfs/dbraw/zinc/42/01/79/1136420179.db2.gz JDRZJOUAOMPCBR-UHFFFAOYSA-N 1 1 330.225 3.599 20 30 EHEDMO C#CC[N@H+](CC[C@H]1Sc2ccccc2NC1=O)Cc1ccccc1 ZINC000852046395 1136429163 /nfs/dbraw/zinc/42/91/63/1136429163.db2.gz RXJUGZUMSXWGJQ-LJQANCHMSA-N 1 1 336.460 3.625 20 30 EHEDMO C#C[C@@](C)(CC)[NH2+]Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000852100799 1136433658 /nfs/dbraw/zinc/43/36/58/1136433658.db2.gz JFELTRMKUCHIIW-IBGZPJMESA-N 1 1 341.480 3.524 20 30 EHEDMO C=C(CC)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335497 1136450473 /nfs/dbraw/zinc/45/04/73/1136450473.db2.gz IHFIHHGXTIOWKN-MNOVXSKESA-N 1 1 337.099 3.781 20 30 EHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000852411974 1136454793 /nfs/dbraw/zinc/45/47/93/1136454793.db2.gz XHAWRKRSULZUKX-NVXWUHKLSA-N 1 1 346.434 3.512 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852527829 1136462674 /nfs/dbraw/zinc/46/26/74/1136462674.db2.gz QVBZVDLZOKSTSN-GPWPYBQESA-N 1 1 341.455 3.608 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000852687326 1136478003 /nfs/dbraw/zinc/47/80/03/1136478003.db2.gz SQRDRKUWNUZHCQ-GPMSIDNRSA-N 1 1 335.492 3.553 20 30 EHEDMO C[N@H+](CCOc1ccccc1C(=O)OC(C)(C)C)CC(C)(C)C#N ZINC000814669757 1136492466 /nfs/dbraw/zinc/49/24/66/1136492466.db2.gz HFKUKILORPNRGD-UHFFFAOYSA-N 1 1 332.444 3.502 20 30 EHEDMO C[N@@H+](CCOc1ccccc1C(=O)OC(C)(C)C)CC(C)(C)C#N ZINC000814669757 1136492467 /nfs/dbraw/zinc/49/24/67/1136492467.db2.gz HFKUKILORPNRGD-UHFFFAOYSA-N 1 1 332.444 3.502 20 30 EHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCCC[C@H]2C2OCCO2)cc1 ZINC000110990927 1136495007 /nfs/dbraw/zinc/49/50/07/1136495007.db2.gz NTLGJDFNKWDURR-NRFANRHFSA-N 1 1 348.446 3.953 20 30 EHEDMO CC(=[NH+]NCc1cnc2ccccc2c1)c1cc(F)c(N)c(F)c1 ZINC000814877077 1136519258 /nfs/dbraw/zinc/51/92/58/1136519258.db2.gz OPTZNWJVHWZUFZ-UHFFFAOYSA-N 1 1 326.350 3.609 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000853588195 1136547118 /nfs/dbraw/zinc/54/71/18/1136547118.db2.gz CRHNSASTLDXBCK-IBGZPJMESA-N 1 1 335.455 3.595 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(N(C)C)c(C)c1 ZINC000815116880 1136551537 /nfs/dbraw/zinc/55/15/37/1136551537.db2.gz DSBHZEWUCQRKMI-UHFFFAOYSA-N 1 1 328.456 3.725 20 30 EHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ncc(CSC)s2)c1 ZINC000815127147 1136554600 /nfs/dbraw/zinc/55/46/00/1136554600.db2.gz XHHVGKUXRNTUKO-AWEZNQCLSA-N 1 1 347.509 3.977 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000776795819 1136672222 /nfs/dbraw/zinc/67/22/22/1136672222.db2.gz WFQOAGIWYOTCIE-GOSISDBHSA-N 1 1 343.471 3.698 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000776797582 1136673209 /nfs/dbraw/zinc/67/32/09/1136673209.db2.gz IOMYCEUTESAPKJ-CRAIPNDOSA-N 1 1 343.471 3.602 20 30 EHEDMO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cccc(F)c2F)ccc1OC ZINC000113348120 1136697398 /nfs/dbraw/zinc/69/73/98/1136697398.db2.gz VUWYKGDQVRSNBV-OAHLLOKOSA-N 1 1 346.377 3.944 20 30 EHEDMO C[C@@H]1[C@H](OC(=O)c2ccc(C#N)s2)CCC[N@H+]1Cc1ccccc1 ZINC000816470722 1136725438 /nfs/dbraw/zinc/72/54/38/1136725438.db2.gz RICLYBCHFOBGTK-RHSMWYFYSA-N 1 1 340.448 3.830 20 30 EHEDMO C[C@@H](CC#N)NN=C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000857211118 1136854059 /nfs/dbraw/zinc/85/40/59/1136854059.db2.gz AUAZINSKYAMRFR-FXAWDEMLSA-N 1 1 326.488 3.802 20 30 EHEDMO N#CC[C@@H]1CCC[N@H+]([C@@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170886226 1136858262 /nfs/dbraw/zinc/85/82/62/1136858262.db2.gz PPHSUSVQTSKOGP-SUMWQHHRSA-N 1 1 333.273 3.932 20 30 EHEDMO CC1CC[NH+](c2ccc(NC[C@@H](O)c3ccc(C#N)cc3)cc2)CC1 ZINC000819395925 1136935702 /nfs/dbraw/zinc/93/57/02/1136935702.db2.gz VWITXCODYGNMNT-OAQYLSRUSA-N 1 1 335.451 3.940 20 30 EHEDMO N#Cc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)ccc1F ZINC000858049676 1136935795 /nfs/dbraw/zinc/93/57/95/1136935795.db2.gz KLBGCKSPLIAVRX-SFHVURJKSA-N 1 1 337.398 3.623 20 30 EHEDMO N#Cc1cc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)ccc1F ZINC000858049676 1136935798 /nfs/dbraw/zinc/93/57/98/1136935798.db2.gz KLBGCKSPLIAVRX-SFHVURJKSA-N 1 1 337.398 3.623 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000859416336 1137014290 /nfs/dbraw/zinc/01/42/90/1137014290.db2.gz FVDBRFCFFCJUGP-YLJYHZDGSA-N 1 1 342.389 3.749 20 30 EHEDMO N#CCc1cccc2c1CC[N@H+](C[C@@H](O)c1cc3ccccc3o1)C2 ZINC000860108996 1137044621 /nfs/dbraw/zinc/04/46/21/1137044621.db2.gz LHKGZAJFWCQNOE-LJQANCHMSA-N 1 1 332.403 3.591 20 30 EHEDMO N#CCCCCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000860425944 1137059667 /nfs/dbraw/zinc/05/96/67/1137059667.db2.gz QOEFZBJYJDJCGJ-GOSISDBHSA-N 1 1 326.440 3.526 20 30 EHEDMO CC(C)CC[N@@H+](CCC#N)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823438274 1137099693 /nfs/dbraw/zinc/09/96/93/1137099693.db2.gz SILRAIXUSLWOTN-VQIMIIECSA-N 1 1 335.492 3.505 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CCC3(C#N)CCCCC3)[C@@H]2C1 ZINC000823529926 1137103488 /nfs/dbraw/zinc/10/34/88/1137103488.db2.gz RAWXFLDOPAWLDI-IAGOWNOFSA-N 1 1 347.503 3.792 20 30 EHEDMO C#C[C@H]([NH2+]Cc1ccc(OC)c(OC2CC2)c1)c1ccc(F)cc1 ZINC000862372884 1137141238 /nfs/dbraw/zinc/14/12/38/1137141238.db2.gz AIXFTFBNKYTCHG-SFHVURJKSA-N 1 1 325.383 3.840 20 30 EHEDMO C=CC[C@@H]1CC[N@H+](Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC000862441591 1137144800 /nfs/dbraw/zinc/14/48/00/1137144800.db2.gz UIFFYTFVZKDAPA-GFCCVEGCSA-N 1 1 325.811 3.923 20 30 EHEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ncc(Cl)c2ccccc12 ZINC001171068374 1137152734 /nfs/dbraw/zinc/15/27/34/1137152734.db2.gz LIUXLHRBMHGUCD-INIZCTEOSA-N 1 1 347.846 3.527 20 30 EHEDMO C#Cc1cccc(C[NH2+]Cc2c(C)nn(CC(C)C)c2OCC)c1 ZINC000825226594 1137169698 /nfs/dbraw/zinc/16/96/98/1137169698.db2.gz KUYMGLMNYLHEQS-UHFFFAOYSA-N 1 1 325.456 3.517 20 30 EHEDMO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc4c(c3)COC4)C2)cc1 ZINC001137030945 1137176606 /nfs/dbraw/zinc/17/66/06/1137176606.db2.gz UQIAAXOUEDEVOM-NRFANRHFSA-N 1 1 334.419 3.632 20 30 EHEDMO FC(F)(F)c1cc(Br)ccc1C=NNc1cc[nH+]cc1 ZINC000794529400 1137185919 /nfs/dbraw/zinc/18/59/19/1137185919.db2.gz CVPWUIIOXNAMCV-UHFFFAOYSA-N 1 1 344.134 3.731 20 30 EHEDMO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844368781 1137215872 /nfs/dbraw/zinc/21/58/72/1137215872.db2.gz GWHCQDWURVHAPM-CJNGLKHVSA-N 1 1 327.428 3.570 20 30 EHEDMO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844368781 1137215873 /nfs/dbraw/zinc/21/58/73/1137215873.db2.gz GWHCQDWURVHAPM-CJNGLKHVSA-N 1 1 327.428 3.570 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1O ZINC000794649291 1137222860 /nfs/dbraw/zinc/22/28/60/1137222860.db2.gz AJXQUMPWMKXDTO-LIRRHRJNSA-N 1 1 331.456 3.519 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000844473609 1137227270 /nfs/dbraw/zinc/22/72/70/1137227270.db2.gz KYEFPNHZSPVLLM-CMOCDZPBSA-N 1 1 348.446 3.586 20 30 EHEDMO C=CC[C@@H](C)C(=O)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001144017959 1137229195 /nfs/dbraw/zinc/22/91/95/1137229195.db2.gz NYTZSGMUEVLNCW-UZLBHIALSA-N 1 1 330.447 3.605 20 30 EHEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)c1 ZINC001144080160 1137237238 /nfs/dbraw/zinc/23/72/38/1137237238.db2.gz WQVXEJXXLOMYLK-LJQANCHMSA-N 1 1 341.842 3.788 20 30 EHEDMO N#Cc1cncc(C[N@@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)c1 ZINC001144080160 1137237239 /nfs/dbraw/zinc/23/72/39/1137237239.db2.gz WQVXEJXXLOMYLK-LJQANCHMSA-N 1 1 341.842 3.788 20 30 EHEDMO N#CC1(Cn2cc(C[NH2+][C@H]3CCCc4ccccc43)nn2)CCCC1 ZINC000864635796 1137237786 /nfs/dbraw/zinc/23/77/86/1137237786.db2.gz SOWREDDKUWVBTD-IBGZPJMESA-N 1 1 335.455 3.529 20 30 EHEDMO [NH2+]=C(Nc1cncc(C(F)(F)F)c1)c1ccc2cc(O)ccc2c1 ZINC001171184280 1137293526 /nfs/dbraw/zinc/29/35/26/1137293526.db2.gz IQJDXZVTKYOSEU-UHFFFAOYSA-N 1 1 331.297 3.996 20 30 EHEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](c2nccn2C)c2ccccc2OC)C1 ZINC000845921211 1137320264 /nfs/dbraw/zinc/32/02/64/1137320264.db2.gz KLAWEWNSJSIKHK-JTDSTZFVSA-N 1 1 325.456 3.853 20 30 EHEDMO CC[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(OC)c1OC ZINC000866304596 1137344045 /nfs/dbraw/zinc/34/40/45/1137344045.db2.gz ZAGUFVWPBODJIV-KRWDZBQOSA-N 1 1 328.387 3.955 20 30 EHEDMO COc1cccc2c1OCCC[C@H]2[NH2+]Cc1cc(C#N)ccc1F ZINC000866304243 1137344056 /nfs/dbraw/zinc/34/40/56/1137344056.db2.gz WHKUUGYWUXCPPO-QGZVFWFLSA-N 1 1 326.371 3.709 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001171221208 1137346937 /nfs/dbraw/zinc/34/69/37/1137346937.db2.gz IWJYQMXAGZRPLI-YJBOKZPZSA-N 1 1 328.456 3.543 20 30 EHEDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866341840 1137347617 /nfs/dbraw/zinc/34/76/17/1137347617.db2.gz SBOQGXIOXSXGIB-OLZOCXBDSA-N 1 1 326.444 3.936 20 30 EHEDMO CC[N@H+](Cc1occc1C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001171249049 1137363082 /nfs/dbraw/zinc/36/30/82/1137363082.db2.gz GUWWGQLFZIYOBH-ZDUSSCGKSA-N 1 1 345.830 3.962 20 30 EHEDMO CC[N@@H+](Cc1occc1C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001171249049 1137363084 /nfs/dbraw/zinc/36/30/84/1137363084.db2.gz GUWWGQLFZIYOBH-ZDUSSCGKSA-N 1 1 345.830 3.962 20 30 EHEDMO Oc1ccc(Br)cc1/C=N\[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000846757399 1137363412 /nfs/dbraw/zinc/36/34/12/1137363412.db2.gz YNBKYVGTJTWJBG-QIWHAVBOSA-N 1 1 337.261 3.591 20 30 EHEDMO C=CCCn1cc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)nn1 ZINC000846846881 1137371816 /nfs/dbraw/zinc/37/18/16/1137371816.db2.gz JKEACEXBOMJDIG-GFCCVEGCSA-N 1 1 340.349 3.604 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](O)[C@@H]2CCc2ccccc2)s1 ZINC000847008228 1137382539 /nfs/dbraw/zinc/38/25/39/1137382539.db2.gz DXGDHOGFZHUOCR-OALUTQOASA-N 1 1 326.465 3.578 20 30 EHEDMO C#C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000847025161 1137383463 /nfs/dbraw/zinc/38/34/63/1137383463.db2.gz VGROJZRUJDQYGU-LLVKDONJSA-N 1 1 336.222 3.889 20 30 EHEDMO C#C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000847025161 1137383464 /nfs/dbraw/zinc/38/34/64/1137383464.db2.gz VGROJZRUJDQYGU-LLVKDONJSA-N 1 1 336.222 3.889 20 30 EHEDMO CC(C)(C)Oc1ccccc1NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867960188 1137391362 /nfs/dbraw/zinc/39/13/62/1137391362.db2.gz IFUIPKUWCVFKML-LJQANCHMSA-N 1 1 349.434 3.561 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C3CCCC3)C2)cc1Cl ZINC001171331715 1137424340 /nfs/dbraw/zinc/42/43/40/1137424340.db2.gz KWRWAQVKBRDONN-HNNXBMFYSA-N 1 1 331.847 3.662 20 30 EHEDMO C=CC(C)(C)CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001148727310 1137432184 /nfs/dbraw/zinc/43/21/84/1137432184.db2.gz NNLHCIMQVXJCHX-QGZVFWFLSA-N 1 1 332.463 3.756 20 30 EHEDMO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cc2ccccc2s1 ZINC000348188706 1137452050 /nfs/dbraw/zinc/45/20/50/1137452050.db2.gz UISUZFCJXXFPRZ-KZULUSFZSA-N 1 1 335.432 3.650 20 30 EHEDMO N#CCCOCC[N@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000339094101 1137465363 /nfs/dbraw/zinc/46/53/63/1137465363.db2.gz KVQVZYJVFAKLCY-OAHLLOKOSA-N 1 1 341.224 3.655 20 30 EHEDMO N#CCCOCC[N@@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000339094101 1137465364 /nfs/dbraw/zinc/46/53/64/1137465364.db2.gz KVQVZYJVFAKLCY-OAHLLOKOSA-N 1 1 341.224 3.655 20 30 EHEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@@H]1CCc3cc(F)c(F)c(F)c3C1)CC2 ZINC001171534527 1137493812 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3.932 20 30 EHEDMO C[C@@]1(C#N)CC[N@H+](C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001171998559 1137522889 /nfs/dbraw/zinc/52/28/89/1137522889.db2.gz KGFJLNWLDSZETB-KRWDZBQOSA-N 1 1 348.288 3.653 20 30 EHEDMO N#Cc1cncc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172068353 1137534053 /nfs/dbraw/zinc/53/40/53/1137534053.db2.gz VNABQGQXIZTYFM-KOUNCHBCSA-N 1 1 346.478 3.629 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001172308179 1137545645 /nfs/dbraw/zinc/54/56/45/1137545645.db2.gz IXTIVSAMWQZJRF-YOEHRIQHSA-N 1 1 330.428 3.515 20 30 EHEDMO Cc1cccnc1O[C@H]1CCC[N@H+]([C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172313316 1137546168 /nfs/dbraw/zinc/54/61/68/1137546168.db2.gz UOXNHMRHWTVOAR-XLIONFOSSA-N 1 1 335.451 3.736 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001172311522 1137546335 /nfs/dbraw/zinc/54/63/35/1137546335.db2.gz SWCBIPYURNRWSI-KKSFZXQISA-N 1 1 338.426 3.876 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 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UKSNFRYIDUGWJX-UHFFFAOYSA-N 1 1 343.471 3.837 20 30 EHEDMO CC(C)(C)OC(=O)NCc1cccc(C[N@@H+](CCC#N)CC2CC2)c1 ZINC000876691942 1137659145 /nfs/dbraw/zinc/65/91/45/1137659145.db2.gz UKSNFRYIDUGWJX-UHFFFAOYSA-N 1 1 343.471 3.837 20 30 EHEDMO C=C(Br)CN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877020093 1137667806 /nfs/dbraw/zinc/66/78/06/1137667806.db2.gz KPHJNRDVWUPYHT-DOTOQJQBSA-N 1 1 335.289 3.853 20 30 EHEDMO C#C[C@H]([NH2+]Cc1ccc(O[C@H](C)COC)cc1)c1ccc(F)cc1 ZINC000825955775 1137674282 /nfs/dbraw/zinc/67/42/82/1137674282.db2.gz RQIDFPRCRAQKBG-QRWLVFNGSA-N 1 1 327.399 3.704 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000877503912 1137678902 /nfs/dbraw/zinc/67/89/02/1137678902.db2.gz CVURPXICDTVISK-APWZRJJASA-N 1 1 335.492 3.649 20 30 EHEDMO COc1cccc([C@@]2(C)CC[N@H+](Cc3cc(C#N)cnc3Cl)C2)c1 ZINC000877630444 1137683596 /nfs/dbraw/zinc/68/35/96/1137683596.db2.gz GFSPXLXULVXLTB-IBGZPJMESA-N 1 1 341.842 3.779 20 30 EHEDMO COc1cccc([C@@]2(C)CC[N@@H+](Cc3cc(C#N)cnc3Cl)C2)c1 ZINC000877630444 1137683597 /nfs/dbraw/zinc/68/35/97/1137683597.db2.gz GFSPXLXULVXLTB-IBGZPJMESA-N 1 1 341.842 3.779 20 30 EHEDMO C=CCCn1cc(C[N@H+]2CCC[C@H](c3ccccc3OC)CC2)nn1 ZINC000877769556 1137689042 /nfs/dbraw/zinc/68/90/42/1137689042.db2.gz KNJRQQSPEXZUPE-KRWDZBQOSA-N 1 1 340.471 3.633 20 30 EHEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H](c3ccccc3OC)CC2)nn1 ZINC000877769556 1137689043 /nfs/dbraw/zinc/68/90/43/1137689043.db2.gz KNJRQQSPEXZUPE-KRWDZBQOSA-N 1 1 340.471 3.633 20 30 EHEDMO CC(C)c1cc([C@H]2CCC[N@H+](Cc3cc(C#N)cnc3Cl)C2)[nH]n1 ZINC000877785116 1137689870 /nfs/dbraw/zinc/68/98/70/1137689870.db2.gz WIVBTGCKTBDCRC-AWEZNQCLSA-N 1 1 343.862 3.833 20 30 EHEDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3cc(C#N)cnc3Cl)C2)[nH]n1 ZINC000877785116 1137689871 /nfs/dbraw/zinc/68/98/71/1137689871.db2.gz WIVBTGCKTBDCRC-AWEZNQCLSA-N 1 1 343.862 3.833 20 30 EHEDMO C[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc(C(F)(F)F)nc1 ZINC000877828100 1137692550 /nfs/dbraw/zinc/69/25/50/1137692550.db2.gz GGZICLRNLUISEZ-VIFPVBQESA-N 1 1 340.736 3.871 20 30 EHEDMO COc1ccc(C[N@@H+](C)CC[C@](C#N)(C(C)=O)c2ccccc2)cc1 ZINC000877938628 1137696290 /nfs/dbraw/zinc/69/62/90/1137696290.db2.gz LAUJLSNRSSAISJ-NRFANRHFSA-N 1 1 336.435 3.568 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)C1Cc2ccccc2C1)c1ccccc1 ZINC000877991561 1137698769 /nfs/dbraw/zinc/69/87/69/1137698769.db2.gz BEUIKKHPGPPSEX-QFIPXVFZSA-N 1 1 332.447 3.526 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1Cc2ccccc2C[C@H]1C)c1ccccc1 ZINC000878132092 1137703883 /nfs/dbraw/zinc/70/38/83/1137703883.db2.gz KSGZXHINAFPAFA-VGSWGCGISA-N 1 1 332.447 3.874 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H](Oc2ccccc2)C1)c1ccccc1 ZINC000878994779 1137734548 /nfs/dbraw/zinc/73/45/48/1137734548.db2.gz ZUPURARIKOLXHZ-FGZHOGPDSA-N 1 1 348.446 3.580 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000879655242 1137754087 /nfs/dbraw/zinc/75/40/87/1137754087.db2.gz WYMSGNUCVUBIRO-TWOQFEAHSA-N 1 1 349.519 3.942 20 30 EHEDMO C#CCC1(O)CC[NH+]([C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000880480757 1137779898 /nfs/dbraw/zinc/77/98/98/1137779898.db2.gz FHPHFTHMYYNGKX-CQSZACIVSA-N 1 1 344.842 3.906 20 30 EHEDMO N#CCOc1ccc(C[N@@H+]2Cc3ccccc3N3CCC[C@H]3C2)cc1 ZINC000880555225 1137781290 /nfs/dbraw/zinc/78/12/90/1137781290.db2.gz YUEGMNYYYHMDTH-IBGZPJMESA-N 1 1 333.435 3.574 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(Cl)nc1)[C@H]2CC ZINC001137164343 1137801449 /nfs/dbraw/zinc/80/14/49/1137801449.db2.gz RWDPHHURNKRLFE-LPHOPBHVSA-N 1 1 347.890 3.657 20 30 EHEDMO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(Cl)nc3)C2)cc1 ZINC001137170992 1137818014 /nfs/dbraw/zinc/81/80/14/1137818014.db2.gz RSABBXPKGHMPBA-KRWDZBQOSA-N 1 1 327.815 3.650 20 30 EHEDMO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(Cl)nc3)C2)cc1 ZINC001137170992 1137818015 /nfs/dbraw/zinc/81/80/15/1137818015.db2.gz RSABBXPKGHMPBA-KRWDZBQOSA-N 1 1 327.815 3.650 20 30 EHEDMO C=C[C@](C)(CC)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000882394780 1137826269 /nfs/dbraw/zinc/82/62/69/1137826269.db2.gz HSEPVUAJDGLQNT-AZUAARDMSA-N 1 1 327.472 3.512 20 30 EHEDMO C=CCCC[C@@H]([NH2+]Cc1cn(Cc2cccnc2)nn1)c1ccccc1 ZINC000883324984 1137854875 /nfs/dbraw/zinc/85/48/75/1137854875.db2.gz KYIGNYSWSAKIOT-OAQYLSRUSA-N 1 1 347.466 3.909 20 30 EHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000134773835 1137960743 /nfs/dbraw/zinc/96/07/43/1137960743.db2.gz SAAOPHVBRFDTGT-VQTJNVASSA-N 1 1 342.389 3.925 20 30 EHEDMO COc1ccc([C@H](C)[NH2+]C[C@@H](C#N)CCC#N)cc1Br ZINC000030537493 1138002984 /nfs/dbraw/zinc/00/29/84/1138002984.db2.gz BRPOKAIMDPXQEU-NWDGAFQWSA-N 1 1 336.233 3.552 20 30 EHEDMO COc1ccc(C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)[C@H](C)C2CC2)cc1 ZINC000885965634 1138028813 /nfs/dbraw/zinc/02/88/13/1138028813.db2.gz QOECFQHWOOKQHW-APWZRJJASA-N 1 1 342.483 3.741 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000886353446 1138069998 /nfs/dbraw/zinc/06/99/98/1138069998.db2.gz JKHDQGXHWODLMF-LBPRGKRZSA-N 1 1 335.329 3.601 20 30 EHEDMO C#CC[C@@H]1CC[N@@H+](Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C1 ZINC000886359356 1138070389 /nfs/dbraw/zinc/07/03/89/1138070389.db2.gz AZEREIUPMUAXBK-CQSZACIVSA-N 1 1 349.459 3.909 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C1 ZINC000886359356 1138070391 /nfs/dbraw/zinc/07/03/91/1138070391.db2.gz AZEREIUPMUAXBK-CQSZACIVSA-N 1 1 349.459 3.909 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000886356149 1138070589 /nfs/dbraw/zinc/07/05/89/1138070589.db2.gz UVIYNLFWEAJIHV-LLVKDONJSA-N 1 1 336.222 3.889 20 30 EHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3Cc3ccccc3)o2)cc1 ZINC000075595467 1138128719 /nfs/dbraw/zinc/12/87/19/1138128719.db2.gz PISPFHCLAXHPHZ-LJQANCHMSA-N 1 1 344.418 3.815 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cnccc1Cl)[C@H]2CC ZINC001137232360 1138182167 /nfs/dbraw/zinc/18/21/67/1138182167.db2.gz NAZMISWCBTUBQO-HKUYNNGSSA-N 1 1 347.890 3.657 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@H]2CC2(O)CCCCC2)cc1 ZINC000887036802 1138187908 /nfs/dbraw/zinc/18/79/08/1138187908.db2.gz NTOMALNSQGECTJ-VQTJNVASSA-N 1 1 342.483 3.531 20 30 EHEDMO COc1cc2c(cc1O)CC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C2 ZINC000887107050 1138213116 /nfs/dbraw/zinc/21/31/16/1138213116.db2.gz YZRRQWLDFKCMHJ-UHFFFAOYSA-N 1 1 336.435 3.760 20 30 EHEDMO COc1ccc(C[N@@H+](C)C(C2CC2)C2CC2)cc1OCCCC#N ZINC000092704117 1138230659 /nfs/dbraw/zinc/23/06/59/1138230659.db2.gz HNKZWXGMLSMZEK-UHFFFAOYSA-N 1 1 328.456 3.998 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)o1 ZINC000093840942 1138241821 /nfs/dbraw/zinc/24/18/21/1138241821.db2.gz WWXBZBPDQWSVCJ-CYBMUJFWSA-N 1 1 327.453 3.866 20 30 EHEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(OC)c(OC)c1 ZINC000264153396 1138430248 /nfs/dbraw/zinc/43/02/48/1138430248.db2.gz QRIBPTKNBKSHDP-UHFFFAOYSA-N 1 1 340.423 3.628 20 30 EHEDMO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000130481951 1138457633 /nfs/dbraw/zinc/45/76/33/1138457633.db2.gz UPFJKKICHSLLMI-KRWDZBQOSA-N 1 1 340.423 3.847 20 30 EHEDMO C[NH+](C)Cc1cc(NC(=O)c2cccc(F)c2C#N)ccc1Cl ZINC000337243773 1138506220 /nfs/dbraw/zinc/50/62/20/1138506220.db2.gz HWIWKLNCOSGXLP-UHFFFAOYSA-N 1 1 331.778 3.665 20 30 EHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000131855973 1138546388 /nfs/dbraw/zinc/54/63/88/1138546388.db2.gz AQEYHIZUXWJJBC-OAHLLOKOSA-N 1 1 346.450 3.599 20 30 EHEDMO CC(C)[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000264559197 1138558436 /nfs/dbraw/zinc/55/84/36/1138558436.db2.gz NWFWXDSEYCSLES-UHFFFAOYSA-N 1 1 339.395 3.908 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)Cc2cccc(C#N)c2)cc1)C1CC1 ZINC000337999423 1138720024 /nfs/dbraw/zinc/72/00/24/1138720024.db2.gz PAZXAQRSDGVQFI-UHFFFAOYSA-N 1 1 347.462 3.815 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cc(Br)cn1C ZINC000151514758 1139040245 /nfs/dbraw/zinc/04/02/45/1139040245.db2.gz PEFHOQGBZRWRAK-GFCCVEGCSA-N 1 1 332.245 3.852 20 30 EHEDMO N#CCC[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000153663259 1139146607 /nfs/dbraw/zinc/14/66/07/1139146607.db2.gz YQWGSMSHOIAIAN-QUCCMNQESA-N 1 1 339.483 3.802 20 30 EHEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000889363245 1139195846 /nfs/dbraw/zinc/19/58/46/1139195846.db2.gz SQQJDLHJGNNQHW-FXAWDEMLSA-N 1 1 326.484 3.760 20 30 EHEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCc4ccccc4C3)o2)cc1 ZINC000173712746 1139372598 /nfs/dbraw/zinc/37/25/98/1139372598.db2.gz MZBSYVARLSBCPV-UHFFFAOYSA-N 1 1 330.391 3.557 20 30 EHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCCc4ccccc4C3)o2)cc1 ZINC000173712746 1139372604 /nfs/dbraw/zinc/37/26/04/1139372604.db2.gz MZBSYVARLSBCPV-UHFFFAOYSA-N 1 1 330.391 3.557 20 30 EHEDMO C[N@@H+](CCCSCC#N)Cc1cc(Br)ccc1F ZINC000173874330 1139384012 /nfs/dbraw/zinc/38/40/12/1139384012.db2.gz YWZUIOHGFVABJD-UHFFFAOYSA-N 1 1 331.254 3.667 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000174818003 1139444177 /nfs/dbraw/zinc/44/41/77/1139444177.db2.gz OEHWOWRITSFPEM-SFHVURJKSA-N 1 1 342.487 3.993 20 30 EHEDMO COc1ccc(C[NH2+]Cc2ccc(C#N)o2)c(OC2CCCC2)c1 ZINC000177716885 1139636113 /nfs/dbraw/zinc/63/61/13/1139636113.db2.gz YDSXMOYJPJVIBN-UHFFFAOYSA-N 1 1 326.396 3.771 20 30 EHEDMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000177919667 1139654208 /nfs/dbraw/zinc/65/42/08/1139654208.db2.gz VTIHPCHZVBVBCG-UHFFFAOYSA-N 1 1 346.450 3.673 20 30 EHEDMO C=CC[NH+]1CCC(N[C@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000177912338 1139654636 /nfs/dbraw/zinc/65/46/36/1139654636.db2.gz VJIFXMSONJFZBZ-CYBMUJFWSA-N 1 1 338.879 3.658 20 30 EHEDMO COc1cccc(/C=N/C[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1O ZINC000777400978 1140064131 /nfs/dbraw/zinc/06/41/31/1140064131.db2.gz IHVVLVVOVKLADK-PIUNUONSSA-N 1 1 338.451 3.874 20 30 EHEDMO CC[N@@H+](Cc1cc(-c2cnn(C)c2C)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000184468873 1140104544 /nfs/dbraw/zinc/10/45/44/1140104544.db2.gz NOTGQODQRDVTPV-AWEZNQCLSA-N 1 1 349.438 3.838 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000186518170 1140208087 /nfs/dbraw/zinc/20/80/87/1140208087.db2.gz QXDTVBDAUNRWPQ-QAPCUYQASA-N 1 1 331.423 3.542 20 30 EHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)CC1CCC2(CC1)OCCO2 ZINC000190202215 1140391750 /nfs/dbraw/zinc/39/17/50/1140391750.db2.gz KPGUPYNJRJCWKY-UHFFFAOYSA-N 1 1 328.456 3.702 20 30 EHEDMO C=CCC[C@@H](O)C[N@@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000268653717 1140968288 /nfs/dbraw/zinc/96/82/88/1140968288.db2.gz PGQNKSUBFGZBKT-GFCCVEGCSA-N 1 1 345.270 3.581 20 30 EHEDMO C=CCC[C@@H](O)C[N@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000268653717 1140968290 /nfs/dbraw/zinc/96/82/90/1140968290.db2.gz PGQNKSUBFGZBKT-GFCCVEGCSA-N 1 1 345.270 3.581 20 30 EHEDMO CCCC[N@@H+](CCOC)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000271210046 1141325420 /nfs/dbraw/zinc/32/54/20/1141325420.db2.gz XULQQOXFGXKMJS-UHFFFAOYSA-N 1 1 340.471 3.712 20 30 EHEDMO C[C@H](c1ccsc1)[NH+]1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000274129647 1141478025 /nfs/dbraw/zinc/47/80/25/1141478025.db2.gz DWISUGLNGBPKFM-GFCCVEGCSA-N 1 1 332.860 3.551 20 30 EHEDMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000274137587 1141478680 /nfs/dbraw/zinc/47/86/80/1141478680.db2.gz GFAVFPGHFVVUBL-INIZCTEOSA-N 1 1 341.480 3.529 20 30 EHEDMO N#CCSCCC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339163647 1141514869 /nfs/dbraw/zinc/51/48/69/1141514869.db2.gz FAUMAXADKXGXJV-AWEZNQCLSA-N 1 1 340.290 3.628 20 30 EHEDMO N#CCSCCC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339163647 1141514872 /nfs/dbraw/zinc/51/48/72/1141514872.db2.gz FAUMAXADKXGXJV-AWEZNQCLSA-N 1 1 340.290 3.628 20 30 EHEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)o1 ZINC000274440222 1141529027 /nfs/dbraw/zinc/52/90/27/1141529027.db2.gz JJPVQDODWLUCDZ-GOSISDBHSA-N 1 1 326.396 3.665 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)cc(OC)c1O ZINC000348555170 1141550955 /nfs/dbraw/zinc/55/09/55/1141550955.db2.gz ZWIFFRKWYSWAMU-CRAIPNDOSA-N 1 1 333.472 3.645 20 30 EHEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000348641468 1141560285 /nfs/dbraw/zinc/56/02/85/1141560285.db2.gz JNBKRWXGXHDTQW-PKOBYXMFSA-N 1 1 330.472 3.885 20 30 EHEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000073271635 216371849 /nfs/dbraw/zinc/37/18/49/216371849.db2.gz FJEJMYGMINCSBX-UHFFFAOYSA-N 1 1 342.487 3.928 20 30 EHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000073271635 216371851 /nfs/dbraw/zinc/37/18/51/216371851.db2.gz FJEJMYGMINCSBX-UHFFFAOYSA-N 1 1 342.487 3.928 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1 ZINC000022197539 212281397 /nfs/dbraw/zinc/28/13/97/212281397.db2.gz AKKWNIXDSCPZEA-UHFFFAOYSA-N 1 1 339.464 3.569 20 30 EHEDMO N#Cc1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000078478739 217058930 /nfs/dbraw/zinc/05/89/30/217058930.db2.gz DAARGRDCMGJLJS-MRXNPFEDSA-N 1 1 337.398 3.548 20 30 EHEDMO CC[C@H](C(=O)Nc1ccc(F)c(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000339421793 1014388817 /nfs/dbraw/zinc/38/88/17/1014388817.db2.gz FKKOTCYEIQGTIY-GOSISDBHSA-N 1 1 325.387 3.546 20 30 EHEDMO CC(C)(COCc1ccccc1)[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459437507 1032097467 /nfs/dbraw/zinc/09/74/67/1032097467.db2.gz RTQAOFXOGONIJN-UHFFFAOYSA-N 1 1 339.395 3.551 20 30 EHEDMO Cc1ccc([C@H]2CCCC[N@H+]2CC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000610215221 1015016740 /nfs/dbraw/zinc/01/67/40/1015016740.db2.gz BAMIZXOVYYOCIU-OAQYLSRUSA-N 1 1 347.462 3.710 20 30 EHEDMO Cc1nc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)cc1C#N ZINC000336713213 1015197443 /nfs/dbraw/zinc/19/74/43/1015197443.db2.gz OIRWOYCHMOYMQT-KRWDZBQOSA-N 1 1 340.858 3.626 20 30 EHEDMO CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000459430758 1032115816 /nfs/dbraw/zinc/11/58/16/1032115816.db2.gz QQZJSNKJGYFYMQ-ZDUSSCGKSA-N 1 1 329.425 3.981 20 30 EHEDMO CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000459430758 1032115823 /nfs/dbraw/zinc/11/58/23/1032115823.db2.gz QQZJSNKJGYFYMQ-ZDUSSCGKSA-N 1 1 329.425 3.981 20 30 EHEDMO CC(C)[N@@H+](CCC(=O)N1CCc2ccccc21)Cc1ccc(C#N)cc1 ZINC000339707474 1015580095 /nfs/dbraw/zinc/58/00/95/1015580095.db2.gz FHLYHMJBFTZYHH-UHFFFAOYSA-N 1 1 347.462 3.748 20 30 EHEDMO CC(C)[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)CCCO1 ZINC000339831591 1015713534 /nfs/dbraw/zinc/71/35/34/1015713534.db2.gz VNVXLFUCWUQOIN-INIZCTEOSA-N 1 1 337.261 3.568 20 30 EHEDMO CC(C)[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)CCCO1 ZINC000339831591 1015713537 /nfs/dbraw/zinc/71/35/37/1015713537.db2.gz VNVXLFUCWUQOIN-INIZCTEOSA-N 1 1 337.261 3.568 20 30 EHEDMO CCC[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@H]1CCc2ccccc2C1 ZINC001167164471 1016421338 /nfs/dbraw/zinc/42/13/38/1016421338.db2.gz SELPKRREEMZDOR-VQTJNVASSA-N 1 1 326.484 3.701 20 30 EHEDMO C=CCC[C@H](NC(=O)NC[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000179195139 1016855974 /nfs/dbraw/zinc/85/59/74/1016855974.db2.gz GRXKNWLZGVBUTR-APWZRJJASA-N 1 1 340.471 3.834 20 30 EHEDMO C#CC[N@H+](CCCC(=O)Nc1ccccc1C(C)=O)C1CCCCC1 ZINC001167273637 1016915357 /nfs/dbraw/zinc/91/53/57/1016915357.db2.gz NQARMFLXIGIPNN-UHFFFAOYSA-N 1 1 340.467 3.876 20 30 EHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)c1ccc(F)cc1Cl ZINC001167274082 1016925313 /nfs/dbraw/zinc/92/53/13/1016925313.db2.gz XDTJCTMVPBGXMS-GOSISDBHSA-N 1 1 335.781 3.787 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(CC(=O)Nc2cccc(Cl)c2C)no1 ZINC000904680494 1032177093 /nfs/dbraw/zinc/17/70/93/1032177093.db2.gz BTUXBBROOSWVJI-CYBMUJFWSA-N 1 1 348.834 3.569 20 30 EHEDMO C=CCCC[C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538364771 1032311605 /nfs/dbraw/zinc/31/16/05/1032311605.db2.gz JQCKJJVHYJAUGO-MJGOQNOKSA-N 1 1 329.488 3.647 20 30 EHEDMO C=CCOc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000600969487 1032322759 /nfs/dbraw/zinc/32/27/59/1032322759.db2.gz ZCXAQZRITMQAOA-MRXNPFEDSA-N 1 1 336.435 3.637 20 30 EHEDMO C=CCOc1cccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000600969487 1032322769 /nfs/dbraw/zinc/32/27/69/1032322769.db2.gz ZCXAQZRITMQAOA-MRXNPFEDSA-N 1 1 336.435 3.637 20 30 EHEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459647168 1032370706 /nfs/dbraw/zinc/37/07/06/1032370706.db2.gz SWPXSOLQRJMZPT-MRXNPFEDSA-N 1 1 338.373 3.739 20 30 EHEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459654808 1032376337 /nfs/dbraw/zinc/37/63/37/1032376337.db2.gz UKVIMECFKNIEAB-AWEZNQCLSA-N 1 1 332.410 3.997 20 30 EHEDMO CCCCCCCCCC[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001168163014 1032432857 /nfs/dbraw/zinc/43/28/57/1032432857.db2.gz AFVDAYNNTKRUEP-SFHVURJKSA-N 1 1 343.519 3.999 20 30 EHEDMO C=C(C)C[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000185522577 1032439194 /nfs/dbraw/zinc/43/91/94/1032439194.db2.gz KHWAMLLBFIJDJI-VOBGVNJCSA-N 1 1 326.484 3.901 20 30 EHEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000459768401 1032471121 /nfs/dbraw/zinc/47/11/21/1032471121.db2.gz RCQMAARZZVLQGN-OAHLLOKOSA-N 1 1 339.414 3.589 20 30 EHEDMO N#Cc1cccc(COc2cccc(C[N@H+](C3CC3)C3COC3)c2)c1 ZINC000449353033 1032491993 /nfs/dbraw/zinc/49/19/93/1032491993.db2.gz ZNDAXFFBQXYJPD-UHFFFAOYSA-N 1 1 334.419 3.500 20 30 EHEDMO N#Cc1cccc(COc2cccc(C[N@@H+](C3CC3)C3COC3)c2)c1 ZINC000449353033 1032491998 /nfs/dbraw/zinc/49/19/98/1032491998.db2.gz ZNDAXFFBQXYJPD-UHFFFAOYSA-N 1 1 334.419 3.500 20 30 EHEDMO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000537111865 1032524926 /nfs/dbraw/zinc/52/49/26/1032524926.db2.gz UQWCIGFUXUFPBR-LBPRGKRZSA-N 1 1 327.255 3.845 20 30 EHEDMO C=CC[N@H+](Cc1cc(Br)ccc1F)[C@@H](CO)C(=C)C ZINC001167291412 1017354133 /nfs/dbraw/zinc/35/41/33/1017354133.db2.gz MOXVGVSKIQETSF-HNNXBMFYSA-N 1 1 328.225 3.513 20 30 EHEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)[C@@H](CO)C(=C)C ZINC001167291412 1017354144 /nfs/dbraw/zinc/35/41/44/1017354144.db2.gz MOXVGVSKIQETSF-HNNXBMFYSA-N 1 1 328.225 3.513 20 30 EHEDMO COc1cc(C[NH2+][C@@H](C)c2nccn2-c2ccccc2)ccc1C#N ZINC000377354698 1017679206 /nfs/dbraw/zinc/67/92/06/1017679206.db2.gz NODMUZLUMILKSG-HNNXBMFYSA-N 1 1 332.407 3.603 20 30 EHEDMO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000528743311 1032718431 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COc1cccc(O)c1/C=N\C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000747362057 1135499274 /nfs/dbraw/zinc/49/92/74/1135499274.db2.gz KUENMHUQUHTZOZ-GEYIUBJWSA-N 1 1 344.480 3.793 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(NC(=S)Nc2ccccc2C#N)cc1 ZINC001196320423 1135545415 /nfs/dbraw/zinc/54/54/15/1135545415.db2.gz QARAZSKQWIRZEX-UHFFFAOYSA-N 1 1 333.420 3.861 20 30 EHEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccccc2-c2cccs2)C1 ZINC001196460551 1135569924 /nfs/dbraw/zinc/56/99/24/1135569924.db2.gz NJBMZSQGXLTBEV-OAHLLOKOSA-N 1 1 339.464 3.634 20 30 EHEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccc2-c2cccs2)C1 ZINC001196460551 1135569927 /nfs/dbraw/zinc/56/99/27/1135569927.db2.gz NJBMZSQGXLTBEV-OAHLLOKOSA-N 1 1 339.464 3.634 20 30 EHEDMO O[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001196773398 1135613582 /nfs/dbraw/zinc/61/35/82/1135613582.db2.gz PDPHYHBLCQUNHE-VQTJNVASSA-N 1 1 325.839 3.890 20 30 EHEDMO O[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC001196773398 1135613586 /nfs/dbraw/zinc/61/35/86/1135613586.db2.gz PDPHYHBLCQUNHE-VQTJNVASSA-N 1 1 325.839 3.890 20 30 EHEDMO COc1ccc([C@H](C)C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000775745460 1135618727 /nfs/dbraw/zinc/61/87/27/1135618727.db2.gz VTNFRZVJXZTNIW-IIBYNOLFSA-N 1 1 336.435 3.744 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2CC[C@H](C)[C@H]2c2ccccc2)c1C#N ZINC001197661705 1135717591 /nfs/dbraw/zinc/71/75/91/1135717591.db2.gz ZCJZGZRJOCINCG-YWZLYKJASA-N 1 1 334.419 3.928 20 30 EHEDMO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000775783813 1135724853 /nfs/dbraw/zinc/72/48/53/1135724853.db2.gz VPDIGEQSNLMSIX-VQIMIIECSA-N 1 1 327.472 3.671 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCCC[C@@H]2C)cc1C ZINC000747530876 1135744968 /nfs/dbraw/zinc/74/49/68/1135744968.db2.gz OZZWBGKGUBGFFE-SFHVURJKSA-N 1 1 327.472 3.815 20 30 EHEDMO C=CCN(C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(C)C ZINC000747544336 1135780414 /nfs/dbraw/zinc/78/04/14/1135780414.db2.gz JYDAKKGUIVQRTE-MRXNPFEDSA-N 1 1 335.517 3.566 20 30 EHEDMO C#CC[N@@H+](Cc1c(C)nn(-c2ccccn2)c1C)Cc1ccccc1 ZINC000809716794 1135877724 /nfs/dbraw/zinc/87/77/24/1135877724.db2.gz SJQDGCDYILWDPE-UHFFFAOYSA-N 1 1 330.435 3.520 20 30 EHEDMO C#CC[N@H+](Cc1c(C)nn(-c2ccccn2)c1C)Cc1ccccc1 ZINC000809716794 1135877729 /nfs/dbraw/zinc/87/77/29/1135877729.db2.gz SJQDGCDYILWDPE-UHFFFAOYSA-N 1 1 330.435 3.520 20 30 EHEDMO C=C(Br)C[NH2+]Cc1cc(C)c(F)cc1Br ZINC001200244044 1135946469 /nfs/dbraw/zinc/94/64/69/1135946469.db2.gz PSUKNIVOJTWWHQ-UHFFFAOYSA-N 1 1 337.030 3.895 20 30 EHEDMO O=C(NC1CCCC1)OC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC000810033187 1135917419 /nfs/dbraw/zinc/91/74/19/1135917419.db2.gz BRKMOHORQAFTRL-FQEVSTJZSA-N 1 1 340.467 3.561 20 30 EHEDMO O=C(NC1CCCC1)OC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000810033187 1135917424 /nfs/dbraw/zinc/91/74/24/1135917424.db2.gz BRKMOHORQAFTRL-FQEVSTJZSA-N 1 1 340.467 3.561 20 30 EHEDMO C=CCC(CC=C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001132084778 1135928037 /nfs/dbraw/zinc/92/80/37/1135928037.db2.gz BXPRDOJCWHYVKK-YLJYHZDGSA-N 1 1 326.484 3.639 20 30 EHEDMO C#CCOc1ccccc1[C@@H](C)OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810577126 1135977473 /nfs/dbraw/zinc/97/74/73/1135977473.db2.gz ZYDSESNOIYNNTR-FOIQADDNSA-N 1 1 347.430 3.515 20 30 EHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CC1N=Nc1cnnc2ccccc12 ZINC000776185450 1136024641 /nfs/dbraw/zinc/02/46/41/1136024641.db2.gz BFMVXELOZLGDMM-INIZCTEOSA-N 1 1 345.450 3.940 20 30 EHEDMO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1C[C@H](CC)CCCC ZINC001201560592 1136040457 /nfs/dbraw/zinc/04/04/57/1136040457.db2.gz UPXFWNGKDCCECJ-SJLPKXTDSA-N 1 1 334.508 3.616 20 30 EHEDMO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1C[C@H](CC)CCCC ZINC001201560592 1136040458 /nfs/dbraw/zinc/04/04/58/1136040458.db2.gz UPXFWNGKDCCECJ-SJLPKXTDSA-N 1 1 334.508 3.616 20 30 EHEDMO CCCCCCC[N@H+]1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001201776627 1136065382 /nfs/dbraw/zinc/06/53/82/1136065382.db2.gz HOWFPBWHIABDEG-QUCCMNQESA-N 1 1 332.488 3.517 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@H](Oc2ncc(Br)cn2)C1 ZINC001201788030 1136066320 /nfs/dbraw/zinc/06/63/20/1136066320.db2.gz SWXHKXVFEKMBDJ-AWEZNQCLSA-N 1 1 342.281 3.663 20 30 EHEDMO CCCCCCCCCC[N@@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001201852755 1136066519 /nfs/dbraw/zinc/06/65/19/1136066519.db2.gz KADPVRHQLCTJLJ-KRWDZBQOSA-N 1 1 336.524 3.984 20 30 EHEDMO CCCCCCCCC[N@H+]1CC[C@H]2OCC[C@@H](C(=O)N(C)C)[C@H]2C1 ZINC001201840193 1136069720 /nfs/dbraw/zinc/06/97/20/1136069720.db2.gz WOIQQPXIZPPXSI-GUDVDZBRSA-N 1 1 338.536 3.552 20 30 EHEDMO CCCCCCCCC[N@H+]1CCC[C@]2(CCN(CCOC)C2=O)C1 ZINC001201840207 1136069796 /nfs/dbraw/zinc/06/97/96/1136069796.db2.gz WTMZMZOIPFZZAU-FQEVSTJZSA-N 1 1 338.536 3.698 20 30 EHEDMO CCCCCCCCC[N@@H+]1CCc2ncc(Cn3cccn3)n2CC1 ZINC001201846081 1136070060 /nfs/dbraw/zinc/07/00/60/1136070060.db2.gz CVLSGLYRZBHHJR-UHFFFAOYSA-N 1 1 343.519 3.737 20 30 EHEDMO CCCCCCCC[N@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001170662056 1136174631 /nfs/dbraw/zinc/17/46/31/1136174631.db2.gz TVDKOPZXYXFJIE-UHFFFAOYSA-N 1 1 340.508 3.669 20 30 EHEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000812881910 1136264550 /nfs/dbraw/zinc/26/45/50/1136264550.db2.gz GXSADTQXSSGCAH-HXUWFJFHSA-N 1 1 345.462 3.508 20 30 EHEDMO N#Cc1cccc(C2([NH2+]Cc3cccc(Br)c3O)CC2)c1 ZINC000747922970 1136421957 /nfs/dbraw/zinc/42/19/57/1136421957.db2.gz GZXMKWTXNWVLNX-UHFFFAOYSA-N 1 1 343.224 3.805 20 30 EHEDMO O=[N+]([O-])c1cc(C=[NH+]OCc2ccccc2)ccc1N1CCCC1 ZINC000852302864 1136446706 /nfs/dbraw/zinc/44/67/06/1136446706.db2.gz QBYTYDUEGBAPRL-UHFFFAOYSA-N 1 1 325.368 3.746 20 30 EHEDMO C=CCCC[N@@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852474563 1136458585 /nfs/dbraw/zinc/45/85/85/1136458585.db2.gz VQRSHBRPSKDVBQ-GJZGRUSLSA-N 1 1 332.410 3.608 20 30 EHEDMO COc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)cc1F ZINC000852521358 1136462383 /nfs/dbraw/zinc/46/23/83/1136462383.db2.gz OAPRZCOZCZMRLN-RTBURBONSA-N 1 1 340.398 3.576 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852739359 1136482478 /nfs/dbraw/zinc/48/24/78/1136482478.db2.gz VFWIGGWGMKJXFX-IAOVAPTHSA-N 1 1 347.434 3.556 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852739359 1136482480 /nfs/dbraw/zinc/48/24/80/1136482480.db2.gz VFWIGGWGMKJXFX-IAOVAPTHSA-N 1 1 347.434 3.556 20 30 EHEDMO C[C@@H]1C(=NN[C@@H]2CCOC(C)(C)C2)CCC[N@H+]1Cc1ccccc1 ZINC000814908556 1136523696 /nfs/dbraw/zinc/52/36/96/1136523696.db2.gz RAZWTDVFGQVSLO-SJLPKXTDSA-N 1 1 329.488 3.574 20 30 EHEDMO C[C@@H]1C(=NN[C@@H]2CCOC(C)(C)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000814908556 1136523698 /nfs/dbraw/zinc/52/36/98/1136523698.db2.gz RAZWTDVFGQVSLO-SJLPKXTDSA-N 1 1 329.488 3.574 20 30 EHEDMO C#Cc1cccnc1N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000853399567 1136530815 /nfs/dbraw/zinc/53/08/15/1136530815.db2.gz SWPQROIDOGZHII-JOCHJYFZSA-N 1 1 331.463 3.555 20 30 EHEDMO Cc1cc(C#N)ccc1COC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000815446663 1136596478 /nfs/dbraw/zinc/59/64/78/1136596478.db2.gz AYUQSPUXZPWCCF-LJQANCHMSA-N 1 1 326.440 3.707 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c(O)c(OC)c1 ZINC000776769541 1136659389 /nfs/dbraw/zinc/65/93/89/1136659389.db2.gz GUSKEHONLBXIOS-GOSISDBHSA-N 1 1 331.456 3.520 20 30 EHEDMO C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000817276823 1136792847 /nfs/dbraw/zinc/79/28/47/1136792847.db2.gz QDZLGOQMUSRFPF-SFTDATJTSA-N 1 1 338.426 3.828 20 30 EHEDMO C[N@H+]1CCC[C@H](c2cccc(C(=O)Nc3ccc(CC#N)cc3)c2)C1 ZINC000856827467 1136816215 /nfs/dbraw/zinc/81/62/15/1136816215.db2.gz IBLRCKFCGZTAFF-IBGZPJMESA-N 1 1 333.435 3.814 20 30 EHEDMO C[C@H](NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)c1ccc(C#N)cc1 ZINC000856882524 1136820264 /nfs/dbraw/zinc/82/02/64/1136820264.db2.gz ULKDKHZFAZUXPT-HRAATJIYSA-N 1 1 347.462 3.858 20 30 EHEDMO Cn1c2ccc(NC[C@H](O)c3ccc(C#N)cc3)cc2[nH+]c1C(C)(C)C ZINC000819462732 1136947500 /nfs/dbraw/zinc/94/75/00/1136947500.db2.gz USGHBUYHPZNIKP-IBGZPJMESA-N 1 1 348.450 3.888 20 30 EHEDMO C#C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000820565765 1136997826 /nfs/dbraw/zinc/99/78/26/1136997826.db2.gz VFFPEULRYMFNBT-QGTPRVQTSA-N 1 1 347.890 3.529 20 30 EHEDMO N#CCc1cccc2c1CC[N@H+](C[C@H](O)c1ccc(F)cc1Cl)C2 ZINC000860107101 1137044712 /nfs/dbraw/zinc/04/47/12/1137044712.db2.gz AEIZVCSVVCIXJL-IBGZPJMESA-N 1 1 344.817 3.637 20 30 EHEDMO C[C@@H]1C[C@H](C[N@@H+](CCC#N)CC2CC2)CCN1C(=O)OC(C)(C)C ZINC000823437869 1137099555 /nfs/dbraw/zinc/09/95/55/1137099555.db2.gz QFOISNMIFNJELT-NVXWUHKLSA-N 1 1 335.492 3.648 20 30 EHEDMO Cc1cnc(C[N@H+](C)Cc2cccc(C#N)c2)cc1Br ZINC001143668553 1137187868 /nfs/dbraw/zinc/18/78/68/1137187868.db2.gz XAVBGSIFNMVPEP-UHFFFAOYSA-N 1 1 330.229 3.656 20 30 EHEDMO Cc1cnc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1Br ZINC001143668553 1137187870 /nfs/dbraw/zinc/18/78/70/1137187870.db2.gz XAVBGSIFNMVPEP-UHFFFAOYSA-N 1 1 330.229 3.656 20 30 EHEDMO FC(F)(F)CCNN=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000794551497 1137199898 /nfs/dbraw/zinc/19/98/98/1137199898.db2.gz CJPKYISOBVYGKV-HOTGVXAUSA-N 1 1 339.405 3.817 20 30 EHEDMO CCCC[N@@H+](Cc1ccccc1O)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844324502 1137212599 /nfs/dbraw/zinc/21/25/99/1137212599.db2.gz VNGJLAIDAVBDJR-UHFFFAOYSA-N 1 1 339.395 3.974 20 30 EHEDMO C[N@@H+](CCSc1ccc(Cl)cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365794 1137215610 /nfs/dbraw/zinc/21/56/10/1137215610.db2.gz FBXSUCGCQLDSNL-GOSISDBHSA-N 1 1 346.883 3.969 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1O ZINC000794649621 1137223384 /nfs/dbraw/zinc/22/33/84/1137223384.db2.gz CGOWJICEKJHBGY-IAQYHMDHSA-N 1 1 329.362 3.902 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1O ZINC000794649619 1137223475 /nfs/dbraw/zinc/22/34/75/1137223475.db2.gz CGOWJICEKJHBGY-ABAIWWIYSA-N 1 1 329.362 3.902 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H](CC[N@@H+]2Cc3cccc(C#N)c3C2)C1 ZINC000844472733 1137227318 /nfs/dbraw/zinc/22/73/18/1137227318.db2.gz RSRXIDBQMOWJJQ-OAHLLOKOSA-N 1 1 341.455 3.521 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H](CC[N@H+]2Cc3cccc(C#N)c3C2)C1 ZINC000844472733 1137227320 /nfs/dbraw/zinc/22/73/20/1137227320.db2.gz RSRXIDBQMOWJJQ-OAHLLOKOSA-N 1 1 341.455 3.521 20 30 EHEDMO C=CCC(C)(C)C(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001144069354 1137234605 /nfs/dbraw/zinc/23/46/05/1137234605.db2.gz STXLRYFGBCLUNK-UHFFFAOYSA-N 1 1 332.463 3.851 20 30 EHEDMO C=CCc1cc(C[N@H+](Cc2cnn(CC)c2)C(C)C)c(O)c(OC)c1 ZINC000844739532 1137251460 /nfs/dbraw/zinc/25/14/60/1137251460.db2.gz UNIWUKQQJVEACB-UHFFFAOYSA-N 1 1 343.471 3.756 20 30 EHEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1cccc(CC)c1)C2 ZINC001144321154 1137271965 /nfs/dbraw/zinc/27/19/65/1137271965.db2.gz ATNNMLDXPXEEKW-LEWJYISDSA-N 1 1 329.484 3.823 20 30 EHEDMO N#Cc1cccc(Br)c1NCCc1cn2c([nH+]1)CCCC2 ZINC000865434160 1137283357 /nfs/dbraw/zinc/28/33/57/1137283357.db2.gz YJTHIONMRJFUSM-UHFFFAOYSA-N 1 1 345.244 3.508 20 30 EHEDMO CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000865592692 1137297414 /nfs/dbraw/zinc/29/74/14/1137297414.db2.gz YCPNKFNSFJGDDH-OAHLLOKOSA-N 1 1 345.368 3.819 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC000120731103 1137311221 /nfs/dbraw/zinc/31/12/21/1137311221.db2.gz RSOAFFRCZBDEBQ-SFHVURJKSA-N 1 1 337.471 3.841 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2CCNC(=O)OC(C)(C)C)cc1 ZINC001144576577 1137311854 /nfs/dbraw/zinc/31/18/54/1137311854.db2.gz NODONXINNAYUCN-SFHVURJKSA-N 1 1 328.456 3.547 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001171200406 1137316811 /nfs/dbraw/zinc/31/68/11/1137316811.db2.gz RPYDMQUZGUQBKL-UHFFFAOYSA-N 1 1 343.471 3.698 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001171200406 1137316812 /nfs/dbraw/zinc/31/68/12/1137316812.db2.gz RPYDMQUZGUQBKL-UHFFFAOYSA-N 1 1 343.471 3.698 20 30 EHEDMO CCOC(=O)[C@]1(C)CCCC[N@H+]([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171208371 1137329126 /nfs/dbraw/zinc/32/91/26/1137329126.db2.gz BFAPMXLCPFDVFH-OXQOHEQNSA-N 1 1 328.456 3.545 20 30 EHEDMO C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1cccc(C#N)c1O ZINC000866241724 1137338492 /nfs/dbraw/zinc/33/84/92/1137338492.db2.gz FWQRAEORUUAZTA-LLVKDONJSA-N 1 1 344.798 3.539 20 30 EHEDMO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1c(F)cccc1Cl)c1cccc(C#N)c1O ZINC000866302929 1137343653 /nfs/dbraw/zinc/34/36/53/1137343653.db2.gz MKSBQSVRARHSNZ-PSVSLLHZSA-N 1 1 348.805 3.829 20 30 EHEDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866341842 1137347568 /nfs/dbraw/zinc/34/75/68/1137347568.db2.gz SBOQGXIOXSXGIB-STQMWFEESA-N 1 1 326.444 3.936 20 30 EHEDMO C[C@H]([NH2+][C@H](CN(C)C)c1ccc(Cl)cc1)c1cccc(C#N)c1O ZINC000866352599 1137348723 /nfs/dbraw/zinc/34/87/23/1137348723.db2.gz ARLRIYWTQRPIQK-SCLBCKFNSA-N 1 1 343.858 3.871 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)n1ccc(C[NH2+]Cc2ccccc2)n1 ZINC001171232438 1137357837 /nfs/dbraw/zinc/35/78/37/1137357837.db2.gz SGXGOYRNKMYDTI-KRWDZBQOSA-N 1 1 330.435 3.848 20 30 EHEDMO C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000866618310 1137369855 /nfs/dbraw/zinc/36/98/55/1137369855.db2.gz YOOIOKSXMHJJAE-HYVJGQCMSA-N 1 1 345.490 3.526 20 30 EHEDMO C=C(Br)C[NH+]1CCC(Cc2nc(CC)cs2)CC1 ZINC000847033466 1137383587 /nfs/dbraw/zinc/38/35/87/1137383587.db2.gz JVARZAJMPSETJQ-UHFFFAOYSA-N 1 1 329.307 3.869 20 30 EHEDMO C=CCOc1ccc(C(=O)Nc2ccnc(-c3cc(N)cc[nH+]3)c2)cc1 ZINC001148458025 1137425341 /nfs/dbraw/zinc/42/53/41/1137425341.db2.gz MMSXVKNGWVSUKY-UHFFFAOYSA-N 1 1 346.390 3.543 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCCC2(CCC2)C1 ZINC000348175020 1137450614 /nfs/dbraw/zinc/45/06/14/1137450614.db2.gz COCOLYFPOQPJQW-MRXNPFEDSA-N 1 1 343.446 3.727 20 30 EHEDMO C#CCCCCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000773238130 1137480791 /nfs/dbraw/zinc/48/07/91/1137480791.db2.gz PDOZYGBHQRDRAP-GOSISDBHSA-N 1 1 326.484 3.871 20 30 EHEDMO N#Cc1ccc(C2([NH2+]Cc3nccn3-c3ccccc3)CCC2)cc1 ZINC001171567334 1137498627 /nfs/dbraw/zinc/49/86/27/1137498627.db2.gz JOUDJHMPXAWYJK-UHFFFAOYSA-N 1 1 328.419 3.913 20 30 EHEDMO N#Cc1ccccc1O[C@H]1CCC[N@H+]([C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171806671 1137513994 /nfs/dbraw/zinc/51/39/94/1137513994.db2.gz IVDFVAHKBGCHBR-MSOLQXFVSA-N 1 1 336.410 3.708 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CC[C@](C)(C#N)C2)CC12CCC2 ZINC001171862469 1137516346 /nfs/dbraw/zinc/51/63/46/1137516346.db2.gz PILPJWIQPUBWGS-CRAIPNDOSA-N 1 1 333.476 3.544 20 30 EHEDMO N#Cc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172070452 1137529912 /nfs/dbraw/zinc/52/99/12/1137529912.db2.gz OSZZPKIKWAZDPL-DKUWSORSSA-N 1 1 346.478 3.629 20 30 EHEDMO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H](C#N)C1)C2 ZINC001172103041 1137536687 /nfs/dbraw/zinc/53/66/87/1137536687.db2.gz SFUHVCLMTMTIDT-NXOAAHMSSA-N 1 1 333.476 3.543 20 30 EHEDMO N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000888575978 1137542702 /nfs/dbraw/zinc/54/27/02/1137542702.db2.gz FTHLHVHXOUAASE-RBUKOAKNSA-N 1 1 346.434 3.686 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001172308540 1137545584 /nfs/dbraw/zinc/54/55/84/1137545584.db2.gz YLOMOBLTOWDLBD-MAUKXSAKSA-N 1 1 328.456 3.543 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1 ZINC001172313404 1137546477 /nfs/dbraw/zinc/54/64/77/1137546477.db2.gz WIKJYMUVZIOVGN-JXFKEZNVSA-N 1 1 333.435 3.592 20 30 EHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@H](C)CCO[C@@H](C)CC)C2 ZINC001172329139 1137550868 /nfs/dbraw/zinc/55/08/68/1137550868.db2.gz FVUMNTRTNQDKOB-WSTZPKSXSA-N 1 1 336.520 3.613 20 30 EHEDMO CCCCCCC[C@H](CC)[N@H+]1C[C@@H]2COC[C@]2(c2nc(C)no2)C1 ZINC001172354351 1137553985 /nfs/dbraw/zinc/55/39/85/1137553985.db2.gz GXTNBEVKNZRUMS-ZIFCJYIRSA-N 1 1 335.492 3.717 20 30 EHEDMO CCCCCCC[C@H](CC)[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC001172356933 1137554080 /nfs/dbraw/zinc/55/40/80/1137554080.db2.gz ZTAPWVPAEQHGJT-IKGGRYGDSA-N 1 1 341.492 3.552 20 30 EHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC001172356933 1137554083 /nfs/dbraw/zinc/55/40/83/1137554083.db2.gz ZTAPWVPAEQHGJT-IKGGRYGDSA-N 1 1 341.492 3.552 20 30 EHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCCOc3c(F)cccc32)c1 ZINC000877166928 1137671962 /nfs/dbraw/zinc/67/19/62/1137671962.db2.gz IRTYYHLMYIQJNX-OAHLLOKOSA-N 1 1 331.778 3.749 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000877506142 1137678958 /nfs/dbraw/zinc/67/89/58/1137678958.db2.gz PQWPYEJROFNDJA-INIZCTEOSA-N 1 1 335.492 3.649 20 30 EHEDMO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000877916576 1137695649 /nfs/dbraw/zinc/69/56/49/1137695649.db2.gz GQVUZQKHLGRTAN-AWEZNQCLSA-N 1 1 341.842 3.979 20 30 EHEDMO Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000877916576 1137695650 /nfs/dbraw/zinc/69/56/50/1137695650.db2.gz GQVUZQKHLGRTAN-AWEZNQCLSA-N 1 1 341.842 3.979 20 30 EHEDMO COc1ccccc1C[N@H+](C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000877932787 1137696093 /nfs/dbraw/zinc/69/60/93/1137696093.db2.gz JMNAVBNABLNZNV-NRFANRHFSA-N 1 1 336.435 3.568 20 30 EHEDMO COc1ccccc1C[N@@H+](C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000877932787 1137696094 /nfs/dbraw/zinc/69/60/94/1137696094.db2.gz JMNAVBNABLNZNV-NRFANRHFSA-N 1 1 336.435 3.568 20 30 EHEDMO CC[N@H+]1CC[C@H]1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000878218370 1137707608 /nfs/dbraw/zinc/70/76/08/1137707608.db2.gz OUNINWYVJRKSRZ-PMACEKPBSA-N 1 1 348.450 3.558 20 30 EHEDMO C=C[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878524515 1137718758 /nfs/dbraw/zinc/71/87/58/1137718758.db2.gz PVIYMSNICFLPSC-LBPRGKRZSA-N 1 1 348.790 3.839 20 30 EHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878524515 1137718759 /nfs/dbraw/zinc/71/87/59/1137718759.db2.gz PVIYMSNICFLPSC-LBPRGKRZSA-N 1 1 348.790 3.839 20 30 EHEDMO C#CC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1ccccc1 ZINC000878613373 1137722184 /nfs/dbraw/zinc/72/21/84/1137722184.db2.gz LSVQRSMEUUMVJY-QFIPXVFZSA-N 1 1 330.431 3.562 20 30 EHEDMO C#CC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1ccccc1 ZINC000878613373 1137722185 /nfs/dbraw/zinc/72/21/85/1137722185.db2.gz LSVQRSMEUUMVJY-QFIPXVFZSA-N 1 1 330.431 3.562 20 30 EHEDMO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCc2cccc(C#N)c2)c(C)c1 ZINC000879433991 1137747572 /nfs/dbraw/zinc/74/75/72/1137747572.db2.gz BACKCHCOQARQET-KRWDZBQOSA-N 1 1 335.451 3.677 20 30 EHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1nc2ccccc2n1C(F)F ZINC000879434223 1137747738 /nfs/dbraw/zinc/74/77/38/1137747738.db2.gz GJBNEDHXAFNTEH-UHFFFAOYSA-N 1 1 340.377 3.978 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879558087 1137750734 /nfs/dbraw/zinc/75/07/34/1137750734.db2.gz QWBOKANRUMUSMR-HUUCEWRRSA-N 1 1 348.537 3.588 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879558087 1137750735 /nfs/dbraw/zinc/75/07/35/1137750735.db2.gz QWBOKANRUMUSMR-HUUCEWRRSA-N 1 1 348.537 3.588 20 30 EHEDMO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000879906154 1137762120 /nfs/dbraw/zinc/76/21/20/1137762120.db2.gz DAPUCCCDDQKFSO-MRXNPFEDSA-N 1 1 334.529 3.939 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879918479 1137762399 /nfs/dbraw/zinc/76/23/99/1137762399.db2.gz FCNBHUZYTRTWDJ-INIZCTEOSA-N 1 1 338.455 3.793 20 30 EHEDMO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879918479 1137762400 /nfs/dbraw/zinc/76/24/00/1137762400.db2.gz FCNBHUZYTRTWDJ-INIZCTEOSA-N 1 1 338.455 3.793 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879918479 1137762401 /nfs/dbraw/zinc/76/24/01/1137762401.db2.gz FCNBHUZYTRTWDJ-INIZCTEOSA-N 1 1 338.455 3.793 20 30 EHEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)n1 ZINC000880276795 1137772816 /nfs/dbraw/zinc/77/28/16/1137772816.db2.gz KJMDWXZZMRUELN-OAHLLOKOSA-N 1 1 349.463 3.784 20 30 EHEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)n1 ZINC000880276795 1137772817 /nfs/dbraw/zinc/77/28/17/1137772817.db2.gz KJMDWXZZMRUELN-OAHLLOKOSA-N 1 1 349.463 3.784 20 30 EHEDMO C=CCCC[C@H]([NH2+]Cc1cn(C[C@H]2CCOC2)nn1)c1ccccc1 ZINC000880390430 1137777666 /nfs/dbraw/zinc/77/76/66/1137777666.db2.gz RARBWLGBHSZQCQ-XLIONFOSSA-N 1 1 340.471 3.502 20 30 EHEDMO C#CCC1(O)CC[NH+]([C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000880480756 1137779871 /nfs/dbraw/zinc/77/98/71/1137779871.db2.gz FHPHFTHMYYNGKX-AWEZNQCLSA-N 1 1 344.842 3.906 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cccc3cccnc31)C2 ZINC001137176165 1137825011 /nfs/dbraw/zinc/82/50/11/1137825011.db2.gz UFVUCEONJOINRS-FPOVZHCZSA-N 1 1 338.451 3.561 20 30 EHEDMO CCCC[N@@H+](Cn1c(C)nnc1-c1cccc(C#N)c1)[C@@H](C)CC ZINC000131050700 1137845704 /nfs/dbraw/zinc/84/57/04/1137845704.db2.gz JNQHMNYNFXEVBF-HNNXBMFYSA-N 1 1 325.460 3.983 20 30 EHEDMO C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)[C@@H]1Cc2ccccc2O1 ZINC000883227412 1137849428 /nfs/dbraw/zinc/84/94/28/1137849428.db2.gz QCQSLNDTPLSUJF-PYEZFCHVSA-N 1 1 326.484 3.540 20 30 EHEDMO Fc1cc(F)cc(C(F)(F)C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000883280965 1137852230 /nfs/dbraw/zinc/85/22/30/1137852230.db2.gz VANADHXPWZIKGX-NEPJUHHUSA-N 1 1 345.258 3.756 20 30 EHEDMO CC(C)c1nnc([C@@H]2CCCC[N@@H+]2CCCC2(C#N)CCOCC2)[nH]1 ZINC000331723086 1137918291 /nfs/dbraw/zinc/91/82/91/1137918291.db2.gz KTQXVFHXMBPACU-INIZCTEOSA-N 1 1 345.491 3.556 20 30 EHEDMO CC(C)c1nnc([C@@H]2CCCC[N@H+]2CCCC2(C#N)CCOCC2)[nH]1 ZINC000331723086 1137918292 /nfs/dbraw/zinc/91/82/92/1137918292.db2.gz KTQXVFHXMBPACU-INIZCTEOSA-N 1 1 345.491 3.556 20 30 EHEDMO COCCC[N@H+]1Cc2cccc(N[C@H](C#N)C3CCCCC3)c2C1 ZINC000115606220 1137922570 /nfs/dbraw/zinc/92/25/70/1137922570.db2.gz DGBKYHXQOAPNBZ-HXUWFJFHSA-N 1 1 327.472 3.923 20 30 EHEDMO C=C(Br)C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000134401918 1137959272 /nfs/dbraw/zinc/95/92/72/1137959272.db2.gz ZXSCYVMRYMZMNQ-UHFFFAOYSA-N 1 1 326.568 3.940 20 30 EHEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000885973319 1138029548 /nfs/dbraw/zinc/02/95/48/1138029548.db2.gz RJMITUGFYDXJNY-ZCNNSNEGSA-N 1 1 342.483 3.531 20 30 EHEDMO COc1cccc([C@@H]2CC[N@@H+](C[C@H](O)CC3(C#N)CCC3)C2(C)C)c1 ZINC000886316829 1138066563 /nfs/dbraw/zinc/06/65/63/1138066563.db2.gz OAVFUPGNYWXOKX-MJGOQNOKSA-N 1 1 342.483 3.708 20 30 EHEDMO CC[C@](C)([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nccs1 ZINC000072683412 1138107217 /nfs/dbraw/zinc/10/72/17/1138107217.db2.gz IJRYHVJWBHYKAI-INIZCTEOSA-N 1 1 348.859 3.522 20 30 EHEDMO C=CCC1(O)CC[NH+](CC(=O)Nc2ccc([C@@H](C)CC)cc2)CC1 ZINC000886762086 1138134182 /nfs/dbraw/zinc/13/41/82/1138134182.db2.gz QTCKDUSOSPTLPZ-INIZCTEOSA-N 1 1 330.472 3.542 20 30 EHEDMO C=CCSc1nnc([C@@H](CC)[NH+](C)C)n1-c1ccc(OC)cc1 ZINC000078249380 1138147575 /nfs/dbraw/zinc/14/75/75/1138147575.db2.gz VKCQPQUTZQNVAC-OAHLLOKOSA-N 1 1 332.473 3.567 20 30 EHEDMO Cc1oc(NC(=O)C[NH2+]C(C)(C)c2ccc(F)cc2F)c(C#N)c1C ZINC000886900902 1138170973 /nfs/dbraw/zinc/17/09/73/1138170973.db2.gz KFGANUVXXLCUIS-UHFFFAOYSA-N 1 1 347.365 3.510 20 30 EHEDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000093317418 1138235904 /nfs/dbraw/zinc/23/59/04/1138235904.db2.gz GJPVVYCVBWOHPC-HXUWFJFHSA-N 1 1 329.488 3.818 20 30 EHEDMO C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C[C@@H]1CCOC1 ZINC000093840204 1138241914 /nfs/dbraw/zinc/24/19/14/1138241914.db2.gz YNNJWXCRKGIJOP-FQEVSTJZSA-N 1 1 336.435 3.606 20 30 EHEDMO CCC[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000126159428 1138325392 /nfs/dbraw/zinc/32/53/92/1138325392.db2.gz HFDZWFMMGRIZMR-FQEVSTJZSA-N 1 1 341.499 3.665 20 30 EHEDMO CCC[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000126159428 1138325394 /nfs/dbraw/zinc/32/53/94/1138325394.db2.gz HFDZWFMMGRIZMR-FQEVSTJZSA-N 1 1 341.499 3.665 20 30 EHEDMO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000130065184 1138433857 /nfs/dbraw/zinc/43/38/57/1138433857.db2.gz VLPDPSOMQNSKGH-QGZVFWFLSA-N 1 1 342.830 3.628 20 30 EHEDMO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000130065184 1138433859 /nfs/dbraw/zinc/43/38/59/1138433859.db2.gz VLPDPSOMQNSKGH-QGZVFWFLSA-N 1 1 342.830 3.628 20 30 EHEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(OC)cc1OC ZINC000337140789 1138477430 /nfs/dbraw/zinc/47/74/30/1138477430.db2.gz RJMPWBHKVQRIAF-UHFFFAOYSA-N 1 1 346.471 3.626 20 30 EHEDMO CN(CCC#N)c1ccc(C[NH2+]Cc2nc(C3CC3)cs2)cc1 ZINC000131094786 1138495820 /nfs/dbraw/zinc/49/58/20/1138495820.db2.gz GAJKIUIVLJAPHY-UHFFFAOYSA-N 1 1 326.469 3.660 20 30 EHEDMO C=CCN1CC[C@H]([N@@H+](C)CCCSc2ccccc2Cl)C1=O ZINC000337235356 1138503202 /nfs/dbraw/zinc/50/32/02/1138503202.db2.gz XNIFXGMCZNPIMM-HNNXBMFYSA-N 1 1 338.904 3.541 20 30 EHEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000337472235 1138579371 /nfs/dbraw/zinc/57/93/71/1138579371.db2.gz WRXAMJOKUZQBGN-IAGOWNOFSA-N 1 1 335.451 3.771 20 30 EHEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000337472235 1138579373 /nfs/dbraw/zinc/57/93/73/1138579373.db2.gz WRXAMJOKUZQBGN-IAGOWNOFSA-N 1 1 335.451 3.771 20 30 EHEDMO CCN(C(=O)c1cccc(C#N)c1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000337797540 1138670432 /nfs/dbraw/zinc/67/04/32/1138670432.db2.gz GDCZZDJYDJHKOK-FQEVSTJZSA-N 1 1 347.462 3.603 20 30 EHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000134143193 1138674791 /nfs/dbraw/zinc/67/47/91/1138674791.db2.gz FMJQDGRBMCEHFY-CRAIPNDOSA-N 1 1 343.471 3.683 20 30 EHEDMO COc1ccc(C[N@H+](C)Cc2ccc(Br)o2)cc1C#N ZINC000134960491 1138716364 /nfs/dbraw/zinc/71/63/64/1138716364.db2.gz CIUDBJAAQVWKKQ-UHFFFAOYSA-N 1 1 335.201 3.554 20 30 EHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(Br)o2)cc1C#N ZINC000134960491 1138716367 /nfs/dbraw/zinc/71/63/67/1138716367.db2.gz CIUDBJAAQVWKKQ-UHFFFAOYSA-N 1 1 335.201 3.554 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1)C1CC1 ZINC000338020176 1138725468 /nfs/dbraw/zinc/72/54/68/1138725468.db2.gz NVCJUMGMACEWCJ-UHFFFAOYSA-N 1 1 333.435 3.989 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000338160297 1138769659 /nfs/dbraw/zinc/76/96/59/1138769659.db2.gz HRLWUXKHTGSKQX-UHFFFAOYSA-N 1 1 339.483 3.595 20 30 EHEDMO CC1=C(c2ccco2)C[N@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000338341393 1138842434 /nfs/dbraw/zinc/84/24/34/1138842434.db2.gz KMEGNEZXKDITAM-UHFFFAOYSA-N 1 1 349.434 3.706 20 30 EHEDMO CC1=C(c2ccco2)C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000338341393 1138842441 /nfs/dbraw/zinc/84/24/41/1138842441.db2.gz KMEGNEZXKDITAM-UHFFFAOYSA-N 1 1 349.434 3.706 20 30 EHEDMO COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1OC ZINC000151161124 1139013094 /nfs/dbraw/zinc/01/30/94/1139013094.db2.gz OQMCRRAJELYNOY-LLVKDONJSA-N 1 1 332.350 3.704 20 30 EHEDMO C=CC[N@H+](Cc1ccccc1)Cc1cc(C(=O)OC)ccc1OC ZINC001137248906 1139024997 /nfs/dbraw/zinc/02/49/97/1139024997.db2.gz LRACIVQLHDVIMG-UHFFFAOYSA-N 1 1 325.408 3.670 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(C(=O)OC)ccc1OC ZINC001137248906 1139025002 /nfs/dbraw/zinc/02/50/02/1139025002.db2.gz LRACIVQLHDVIMG-UHFFFAOYSA-N 1 1 325.408 3.670 20 30 EHEDMO C[C@@H]1C[C@@H]([N@@H+](C)CCCSCC#N)CCN1Cc1ccccc1 ZINC000174172069 1139404118 /nfs/dbraw/zinc/40/41/18/1139404118.db2.gz AUOCKHMNZLBUJW-MJGOQNOKSA-N 1 1 331.529 3.618 20 30 EHEDMO C=CCc1cc(C[NH2+][C@H](COC)c2ccc(CC)o2)cc(OC)c1O ZINC000174476313 1139422094 /nfs/dbraw/zinc/42/20/94/1139422094.db2.gz DKONMDYLIRBXKK-QGZVFWFLSA-N 1 1 345.439 3.762 20 30 EHEDMO CC[N@@H+](C)C[C@@H]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C1 ZINC000177546503 1139625296 /nfs/dbraw/zinc/62/52/96/1139625296.db2.gz LEQXMGVYTCAEIV-LBPRGKRZSA-N 1 1 346.837 3.677 20 30 EHEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000177744145 1139637665 /nfs/dbraw/zinc/63/76/65/1139637665.db2.gz PLOGTVMDMDKVQB-MSOLQXFVSA-N 1 1 340.471 3.578 20 30 EHEDMO C=CC[NH+]1CCC(N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000177907487 1139653361 /nfs/dbraw/zinc/65/33/61/1139653361.db2.gz LPVIHOSFGCUHFS-HNNXBMFYSA-N 1 1 342.462 3.621 20 30 EHEDMO C=CCOc1ccccc1C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181654693 1139922219 /nfs/dbraw/zinc/92/22/19/1139922219.db2.gz WLSPQDGCXHPBJO-IRXDYDNUSA-N 1 1 342.483 3.634 20 30 EHEDMO Cc1oc(NC(=O)C[NH2+][C@H](C)c2cc3ccccc3o2)c(C#N)c1C ZINC000182632054 1139983616 /nfs/dbraw/zinc/98/36/16/1139983616.db2.gz ZCCHCFHNMKAWJI-GFCCVEGCSA-N 1 1 337.379 3.804 20 30 EHEDMO C=CC[C@H](CO)NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000182886366 1139999286 /nfs/dbraw/zinc/99/92/86/1139999286.db2.gz SXBOVMXLPDDTPE-QGZVFWFLSA-N 1 1 345.487 3.510 20 30 EHEDMO COc1cccc(O)c1/C=N/C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000777402495 1140086749 /nfs/dbraw/zinc/08/67/49/1140086749.db2.gz ZIZHGSCZAPFRJR-PIUNUONSSA-N 1 1 338.451 3.874 20 30 EHEDMO C#CCC(C)(C)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000185659738 1140161762 /nfs/dbraw/zinc/16/17/62/1140161762.db2.gz JXMQAVYGAIJVOR-UHFFFAOYSA-N 1 1 338.451 3.577 20 30 EHEDMO C#CCC(C)(C)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000185659738 1140161764 /nfs/dbraw/zinc/16/17/64/1140161764.db2.gz JXMQAVYGAIJVOR-UHFFFAOYSA-N 1 1 338.451 3.577 20 30 EHEDMO C#CCC(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000185860741 1140174204 /nfs/dbraw/zinc/17/42/04/1140174204.db2.gz NNZVDFIDLQKILL-MJGOQNOKSA-N 1 1 326.484 3.547 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000186395480 1140202049 /nfs/dbraw/zinc/20/20/49/1140202049.db2.gz HZLUWFFJWLGPTP-QGZVFWFLSA-N 1 1 335.451 3.588 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000187032082 1140234264 /nfs/dbraw/zinc/23/42/64/1140234264.db2.gz RUSKZDLCYPUQFS-APWZRJJASA-N 1 1 349.482 3.817 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H](C)Cc1ccsc1 ZINC000187773902 1140271186 /nfs/dbraw/zinc/27/11/86/1140271186.db2.gz OKNQSTQXEOYEMB-LBPRGKRZSA-N 1 1 333.482 3.573 20 30 EHEDMO C#Cc1cccc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000266318001 1140667118 /nfs/dbraw/zinc/66/71/18/1140667118.db2.gz BQTRQCFMAGSKKN-HXUWFJFHSA-N 1 1 347.462 3.654 20 30 EHEDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccccc2C(C)(C)C#N)cc1 ZINC000269018980 1141047854 /nfs/dbraw/zinc/04/78/54/1141047854.db2.gz YCPNIMKZYNXILB-HXUWFJFHSA-N 1 1 338.451 3.662 20 30 EHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000271244383 1141332256 /nfs/dbraw/zinc/33/22/56/1141332256.db2.gz BTURETWRFLQZGU-QGZVFWFLSA-N 1 1 338.455 3.627 20 30 EHEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000271244383 1141332261 /nfs/dbraw/zinc/33/22/61/1141332261.db2.gz BTURETWRFLQZGU-QGZVFWFLSA-N 1 1 338.455 3.627 20 30 EHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000271244383 1141332267 /nfs/dbraw/zinc/33/22/67/1141332267.db2.gz BTURETWRFLQZGU-QGZVFWFLSA-N 1 1 338.455 3.627 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H]2c2ccccc2)cc1Cl ZINC000348539513 1141548512 /nfs/dbraw/zinc/54/85/12/1141548512.db2.gz NKTZVEDPUGAUJR-SFHVURJKSA-N 1 1 339.826 3.987 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000348539993 1141548613 /nfs/dbraw/zinc/54/86/13/1141548613.db2.gz RDQIWDRAWBGCIU-OAQYLSRUSA-N 1 1 347.462 3.997 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000348539993 1141548615 /nfs/dbraw/zinc/54/86/15/1141548615.db2.gz RDQIWDRAWBGCIU-OAQYLSRUSA-N 1 1 347.462 3.997 20 30 EHEDMO N#Cc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C2CC2)cc1 ZINC000283377461 1141612608 /nfs/dbraw/zinc/61/26/08/1141612608.db2.gz CPRGMIVYQULVMD-UHFFFAOYSA-N 1 1 325.343 3.770 20 30 EHEDMO N#Cc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C2CC2)cc1 ZINC000283377461 1141612610 /nfs/dbraw/zinc/61/26/10/1141612610.db2.gz CPRGMIVYQULVMD-UHFFFAOYSA-N 1 1 325.343 3.770 20 30 EHEDMO C=CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1F)CC1CCCCC1 ZINC000735419581 598756212 /nfs/dbraw/zinc/75/62/12/598756212.db2.gz WLJSSCOICRWYFD-UHFFFAOYSA-N 1 1 329.423 3.574 20 30 EHEDMO CC[N@@H+](CC(C)(C)CCC#N)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825398933 608551878 /nfs/dbraw/zinc/55/18/78/608551878.db2.gz BMGMSWCQXOIBKJ-CQSZACIVSA-N 1 1 326.448 3.580 20 30 EHEDMO Cc1cc(C#N)c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1C ZINC001164624383 719072115 /nfs/dbraw/zinc/07/21/15/719072115.db2.gz LLYFMEKJSAAVAM-PZJWPPBQSA-N 1 1 346.478 3.671 20 30 EHEDMO C=CC[NH+]1CCN(c2c(C#N)c(Cl)nc3ccc(F)c(C)c32)CC1 ZINC001165034447 721874051 /nfs/dbraw/zinc/87/40/51/721874051.db2.gz KNEOTXRFRDVSBA-UHFFFAOYSA-N 1 1 344.821 3.515 20 30 EHEDMO CC[C@@H](C(=O)N(CCC#N)CC(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000339274107 1014140242 /nfs/dbraw/zinc/14/02/42/1014140242.db2.gz KUKUOLBJAKKFEV-SFHVURJKSA-N 1 1 329.488 3.685 20 30 EHEDMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(-n2cccn2)c(F)c1 ZINC000339419958 1014383932 /nfs/dbraw/zinc/38/39/32/1014383932.db2.gz FGZPLSQWZNGJBK-ZDUSSCGKSA-N 1 1 338.361 3.873 20 30 EHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000510087358 1014913419 /nfs/dbraw/zinc/91/34/19/1014913419.db2.gz GVENYRKJOHUHEL-GASCZTMLSA-N 1 1 330.432 3.636 20 30 EHEDMO Cc1ccc(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc1C#N ZINC000799733018 1015003899 /nfs/dbraw/zinc/00/38/99/1015003899.db2.gz AHGVLEJHUVRQPI-UHFFFAOYSA-N 1 1 327.815 3.834 20 30 EHEDMO N#CC1(CCC[N@H+]2CCS[C@@H](c3ccccc3)C2)CCOCC1 ZINC000375596002 1015192475 /nfs/dbraw/zinc/19/24/75/1015192475.db2.gz JDXMSLCLZCBPAA-GOSISDBHSA-N 1 1 330.497 3.877 20 30 EHEDMO COc1ccc(O)c(/C=N\C[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000255007324 1015498062 /nfs/dbraw/zinc/49/80/62/1015498062.db2.gz WSGMCQFQJDZDEO-BCUAHEQISA-N 1 1 332.831 3.776 20 30 EHEDMO C=CCCCCNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460887904 1032121914 /nfs/dbraw/zinc/12/19/14/1032121914.db2.gz ADMGMKRTGQVJGF-PMACEKPBSA-N 1 1 341.499 3.506 20 30 EHEDMO CC(C)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)CCCO1 ZINC000339818314 1015692673 /nfs/dbraw/zinc/69/26/73/1015692673.db2.gz JSLFJVKUCUHVCO-INIZCTEOSA-N 1 1 337.261 3.568 20 30 EHEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)CCCO1 ZINC000339818314 1015692675 /nfs/dbraw/zinc/69/26/75/1015692675.db2.gz JSLFJVKUCUHVCO-INIZCTEOSA-N 1 1 337.261 3.568 20 30 EHEDMO C=CCCC[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(F)c1)C2 ZINC001209160737 1015874334 /nfs/dbraw/zinc/87/43/34/1015874334.db2.gz BEJFJKDTHHSRRM-FQEVSTJZSA-N 1 1 332.463 3.711 20 30 EHEDMO C=C(C)CN(C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000180543227 1015979675 /nfs/dbraw/zinc/97/96/75/1015979675.db2.gz FJRWWWPTSUKVMX-KRWDZBQOSA-N 1 1 329.488 3.636 20 30 EHEDMO C=CCCCCCCC[N@H+]1CC2CC1(C(=O)NCc1ccco1)C2 ZINC001209439806 1016289145 /nfs/dbraw/zinc/28/91/45/1016289145.db2.gz ZZVGXGRSOCYTKX-UHFFFAOYSA-N 1 1 330.472 3.887 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000340238868 1016762241 /nfs/dbraw/zinc/76/22/41/1016762241.db2.gz VSNIRQGHGQNXLH-LJQANCHMSA-N 1 1 327.472 3.709 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cc(F)cc(Br)c2)no1 ZINC000904664793 1032188049 /nfs/dbraw/zinc/18/80/49/1032188049.db2.gz JVZMXDXLYRWQTN-GFCCVEGCSA-N 1 1 340.196 3.994 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(COc2ccc(Cl)c(F)c2)no1 ZINC000904726099 1032206819 /nfs/dbraw/zinc/20/68/19/1032206819.db2.gz YXLLOXRYPVHZRL-CYBMUJFWSA-N 1 1 325.771 3.797 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459488971 1032210575 /nfs/dbraw/zinc/21/05/75/1032210575.db2.gz WTQMDZNFWWHKKM-GOSISDBHSA-N 1 1 340.467 3.735 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459576812 1032302076 /nfs/dbraw/zinc/30/20/76/1032302076.db2.gz VFFJNRUJZWPLIU-UXHICEINSA-N 1 1 339.483 3.658 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459576812 1032302082 /nfs/dbraw/zinc/30/20/82/1032302082.db2.gz VFFJNRUJZWPLIU-UXHICEINSA-N 1 1 339.483 3.658 20 30 EHEDMO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1cn(-c2ccccc2)nn1 ZINC000185491074 1032403305 /nfs/dbraw/zinc/40/33/05/1032403305.db2.gz OOQPPODBKHVTDM-INIZCTEOSA-N 1 1 345.450 3.919 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000610281917 1032411692 /nfs/dbraw/zinc/41/16/92/1032411692.db2.gz YZOJYXIZDIURQM-GOSISDBHSA-N 1 1 325.843 3.922 20 30 EHEDMO N#Cc1cccc([C@H]2C[N@H+](CCCCC3CCOCC3)CCO2)c1 ZINC000376751593 1017084417 /nfs/dbraw/zinc/08/44/17/1017084417.db2.gz PFKYJICFLQBXQT-HXUWFJFHSA-N 1 1 328.456 3.528 20 30 EHEDMO N#Cc1cccc([C@H]2C[N@@H+](CCCCC3CCOCC3)CCO2)c1 ZINC000376751593 1017084427 /nfs/dbraw/zinc/08/44/27/1017084427.db2.gz PFKYJICFLQBXQT-HXUWFJFHSA-N 1 1 328.456 3.528 20 30 EHEDMO CCC(C#N)(CC)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000528615981 1032512626 /nfs/dbraw/zinc/51/26/26/1032512626.db2.gz ISZKUQNIGOMROZ-MJGOQNOKSA-N 1 1 341.499 3.828 20 30 EHEDMO Cc1cccc(C)c1OCC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000058580399 1032592689 /nfs/dbraw/zinc/59/26/89/1032592689.db2.gz ANEUZDVDMQPOAB-UHFFFAOYSA-N 1 1 349.478 3.766 20 30 EHEDMO CCCC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C1CC1 ZINC000058592266 1032595848 /nfs/dbraw/zinc/59/58/48/1032595848.db2.gz YBGBKASABWRYKN-UHFFFAOYSA-N 1 1 327.472 3.815 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000537372537 1032667828 /nfs/dbraw/zinc/66/78/28/1032667828.db2.gz JOMAXBAXFYWYQF-FQEVSTJZSA-N 1 1 334.463 3.931 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000537372537 1032667847 /nfs/dbraw/zinc/66/78/47/1032667847.db2.gz JOMAXBAXFYWYQF-FQEVSTJZSA-N 1 1 334.463 3.931 20 30 EHEDMO N#CC1(NC(=O)C[NH2+]C2(c3ccccc3Cl)CCC2)CCCCC1 ZINC000593042982 1032678978 /nfs/dbraw/zinc/67/89/78/1032678978.db2.gz VVBYIAOPNYESSF-UHFFFAOYSA-N 1 1 345.874 3.651 20 30 EHEDMO C[C@@H](c1ccccc1)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000176971090 1017546506 /nfs/dbraw/zinc/54/65/06/1017546506.db2.gz QCZRHOUBGYFZNN-HNNXBMFYSA-N 1 1 325.481 3.935 20 30 EHEDMO Cc1oc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c(C#N)c1C ZINC000177529068 1017687525 /nfs/dbraw/zinc/68/75/25/1017687525.db2.gz TVQLDRZMIRSGDA-YOEHRIQHSA-N 1 1 337.423 3.585 20 30 EHEDMO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c(C#N)c1C ZINC000177529068 1017687532 /nfs/dbraw/zinc/68/75/32/1017687532.db2.gz TVQLDRZMIRSGDA-YOEHRIQHSA-N 1 1 337.423 3.585 20 30 EHEDMO COc1ccc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2C)cc1C#N ZINC000134955069 1017808608 /nfs/dbraw/zinc/80/86/08/1017808608.db2.gz PXRYMWBISKBSPI-UHFFFAOYSA-N 1 1 340.423 3.525 20 30 EHEDMO C=CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cccc(C)c1 ZINC000549261263 1017935659 /nfs/dbraw/zinc/93/56/59/1017935659.db2.gz LGIHYDBJPXUEGG-RTWAWAEBSA-N 1 1 334.463 3.513 20 30 EHEDMO CC(C)(C)[N@H+]1CCCN(c2ccc(Br)cc2C#N)CC1 ZINC000541161635 1018009101 /nfs/dbraw/zinc/00/91/01/1018009101.db2.gz WFCDBYBPKKWHQO-UHFFFAOYSA-N 1 1 336.277 3.631 20 30 EHEDMO C=CCOc1ccc(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000340505455 1018173550 /nfs/dbraw/zinc/17/35/50/1018173550.db2.gz HVOQFDNJBAPAQA-ZIFCJYIRSA-N 1 1 342.483 3.729 20 30 EHEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2c(C)cc(C#N)cc2C)c1 ZINC000893028783 1018212007 /nfs/dbraw/zinc/21/20/07/1018212007.db2.gz MRQGKTFYFAVXIG-UHFFFAOYSA-N 1 1 335.451 3.557 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001167332445 1018221311 /nfs/dbraw/zinc/22/13/11/1018221311.db2.gz MDTVEFVZDMGFHG-SFHVURJKSA-N 1 1 335.407 3.921 20 30 EHEDMO Cc1csc(NC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)n1 ZINC000341064693 1018246409 /nfs/dbraw/zinc/24/64/09/1018246409.db2.gz YFOZCDWPQKXSGE-UHFFFAOYSA-N 1 1 330.432 3.539 20 30 EHEDMO C[C@H](CCNCc1ccc(C#N)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000344613251 1018267056 /nfs/dbraw/zinc/26/70/56/1018267056.db2.gz XVFFSCZWBMQCCO-MRXNPFEDSA-N 1 1 325.431 3.698 20 30 EHEDMO CCN(CC)C(=O)[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000610343225 1018335734 /nfs/dbraw/zinc/33/57/34/1018335734.db2.gz BFNXEVGHLWFKPK-OXQOHEQNSA-N 1 1 335.451 3.819 20 30 EHEDMO C[C@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000610346289 1018352387 /nfs/dbraw/zinc/35/23/87/1018352387.db2.gz SCOXRUXKUSTWGK-LAUBAEHRSA-N 1 1 347.462 3.963 20 30 EHEDMO Cc1csc(C2([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)CCC2)n1 ZINC000728715189 1018429310 /nfs/dbraw/zinc/42/93/10/1018429310.db2.gz OHLDUQAEBIZSFM-CQSZACIVSA-N 1 1 327.453 3.911 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C3CCCC3)CC2)c(C#N)c1C ZINC000610393451 1018737201 /nfs/dbraw/zinc/73/72/01/1018737201.db2.gz JAMFPNWBYVWIAY-CQSZACIVSA-N 1 1 343.471 3.997 20 30 EHEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC001167373283 1018905140 /nfs/dbraw/zinc/90/51/40/1018905140.db2.gz VHSTZHWGFARXOW-TZIWHRDSSA-N 1 1 338.451 3.627 20 30 EHEDMO C=CC(C)(C)CNC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000656172577 1018946793 /nfs/dbraw/zinc/94/67/93/1018946793.db2.gz WSWOILFYJZTFOR-KRWDZBQOSA-N 1 1 329.488 3.505 20 30 EHEDMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000580315450 1019015254 /nfs/dbraw/zinc/01/52/54/1019015254.db2.gz INMXQMJRJCLPPV-KRWDZBQOSA-N 1 1 337.379 3.812 20 30 EHEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000580315450 1019015271 /nfs/dbraw/zinc/01/52/71/1019015271.db2.gz INMXQMJRJCLPPV-KRWDZBQOSA-N 1 1 337.379 3.812 20 30 EHEDMO CC(C)C[C@H](C#N)NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000610425513 1019055086 /nfs/dbraw/zinc/05/50/86/1019055086.db2.gz LTUQNCBLGPEJFF-OAQYLSRUSA-N 1 1 349.478 3.743 20 30 EHEDMO C[C@@H]1C[C@@H](Nc2nc3c(cc2C#N)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000379678257 1019091160 /nfs/dbraw/zinc/09/11/60/1019091160.db2.gz FMVWSRFIMJWNKI-UZLBHIALSA-N 1 1 346.478 3.907 20 30 EHEDMO C#CCCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 ZINC000897591014 1032861434 /nfs/dbraw/zinc/86/14/34/1032861434.db2.gz HIELSOLUOXRMKQ-JOCHJYFZSA-N 1 1 346.430 3.534 20 30 EHEDMO C#CCCOc1ccc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 ZINC000897591014 1032861452 /nfs/dbraw/zinc/86/14/52/1032861452.db2.gz HIELSOLUOXRMKQ-JOCHJYFZSA-N 1 1 346.430 3.534 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000345302864 1020141465 /nfs/dbraw/zinc/14/14/65/1020141465.db2.gz SLPPZTDSZXRCBT-ILXRZTDVSA-N 1 1 346.500 3.543 20 30 EHEDMO C[C@H]1[C@H](Nc2ncc(C#N)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000340816931 1020194654 /nfs/dbraw/zinc/19/46/54/1020194654.db2.gz GPZZAUYBHLWIGD-SUMWQHHRSA-N 1 1 326.831 3.682 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000602447842 1032894614 /nfs/dbraw/zinc/89/46/14/1032894614.db2.gz GRYUUWZRDFEAMI-CZUORRHYSA-N 1 1 337.261 3.762 20 30 EHEDMO N#Cc1cc(Cl)ccc1C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000187363112 1020416375 /nfs/dbraw/zinc/41/63/75/1020416375.db2.gz KTTIJXLMNGVCDG-SJORKVTESA-N 1 1 336.888 3.698 20 30 EHEDMO N#Cc1cc(Cl)ccc1C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000187363112 1020416380 /nfs/dbraw/zinc/41/63/80/1020416380.db2.gz KTTIJXLMNGVCDG-SJORKVTESA-N 1 1 336.888 3.698 20 30 EHEDMO CC[N@@H+](Cc1ccc2ccccc2c1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345813260 1020539991 /nfs/dbraw/zinc/53/99/91/1020539991.db2.gz PBIHAUVKWZBWJH-MRXNPFEDSA-N 1 1 335.451 3.613 20 30 EHEDMO C=CCCO[C@H](C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000069356390 1020596835 /nfs/dbraw/zinc/59/68/35/1020596835.db2.gz OBTIMBSLSVTFPM-IAGOWNOFSA-N 1 1 330.472 3.981 20 30 EHEDMO CC1CC[NH+]([C@@H](CNCc2cccc(C#N)n2)c2ccccc2)CC1 ZINC000602517528 1032929296 /nfs/dbraw/zinc/92/92/96/1032929296.db2.gz CZBGICUCPDDNIO-NRFANRHFSA-N 1 1 334.467 3.516 20 30 EHEDMO CC1CC[NH+]([C@H](CNCc2cccc(C#N)n2)c2cccs2)CC1 ZINC000602498104 1032925441 /nfs/dbraw/zinc/92/54/41/1032925441.db2.gz HBZMKCREKIGSRK-GOSISDBHSA-N 1 1 340.496 3.578 20 30 EHEDMO Clc1ccccc1C#CC[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510407093 1020782290 /nfs/dbraw/zinc/78/22/90/1020782290.db2.gz PFBAGHYIOPTXLG-SFHVURJKSA-N 1 1 335.838 3.988 20 30 EHEDMO Clc1ccccc1C#CC[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510407093 1020782295 /nfs/dbraw/zinc/78/22/95/1020782295.db2.gz PFBAGHYIOPTXLG-SFHVURJKSA-N 1 1 335.838 3.988 20 30 EHEDMO COc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1C#N ZINC000135207973 1020892260 /nfs/dbraw/zinc/89/22/60/1020892260.db2.gz VWNRYLLBEUVWFL-INIZCTEOSA-N 1 1 340.448 3.866 20 30 EHEDMO COc1ccc(C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1C#N ZINC000135207973 1020892269 /nfs/dbraw/zinc/89/22/69/1020892269.db2.gz VWNRYLLBEUVWFL-INIZCTEOSA-N 1 1 340.448 3.866 20 30 EHEDMO C[C@@H](CCC#N)[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000276337474 1021050690 /nfs/dbraw/zinc/05/06/90/1021050690.db2.gz SQDMRWAZWBYVQR-AWEZNQCLSA-N 1 1 334.851 3.572 20 30 EHEDMO C#CCC1([NH2+]Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)CCC1 ZINC000933303756 1021079696 /nfs/dbraw/zinc/07/96/96/1021079696.db2.gz ZPXHODGQIACSIA-UHFFFAOYSA-N 1 1 348.406 3.736 20 30 EHEDMO C[C@H]1CCC[C@H](C)[NH+]1CCNCc1cccc(OCCCC#N)c1 ZINC000341215914 1021114973 /nfs/dbraw/zinc/11/49/73/1021114973.db2.gz VTWICIYKQYBZTI-ROUUACIJSA-N 1 1 329.488 3.722 20 30 EHEDMO C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000516245778 1021225926 /nfs/dbraw/zinc/22/59/26/1021225926.db2.gz SZIOTVTZVKRAMA-IAGOWNOFSA-N 1 1 347.478 3.644 20 30 EHEDMO C[C@@H](CC1(C#N)CCOCC1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000602535975 1032967267 /nfs/dbraw/zinc/96/72/67/1032967267.db2.gz UIWKWMPMPSACMO-AZUAARDMSA-N 1 1 347.547 3.720 20 30 EHEDMO C[C@@H](CC1(C#N)CCOCC1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000602535975 1032967280 /nfs/dbraw/zinc/96/72/80/1032967280.db2.gz UIWKWMPMPSACMO-AZUAARDMSA-N 1 1 347.547 3.720 20 30 EHEDMO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCN1CC1CCCCC1 ZINC000602535975 1032967288 /nfs/dbraw/zinc/96/72/88/1032967288.db2.gz UIWKWMPMPSACMO-AZUAARDMSA-N 1 1 347.547 3.720 20 30 EHEDMO C=CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000427231020 1021252512 /nfs/dbraw/zinc/25/25/12/1021252512.db2.gz STDYELPJNCUERI-UYAOXDASSA-N 1 1 326.484 3.537 20 30 EHEDMO COc1ccc([C@@H]([NH2+]Cc2ccc(Cl)cc2C#N)C2CC2)cn1 ZINC000528853829 1032966219 /nfs/dbraw/zinc/96/62/19/1032966219.db2.gz SIWHMCYVKKWYCQ-SFHVURJKSA-N 1 1 327.815 3.856 20 30 EHEDMO CCN(Cc1ccc(C#N)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546227465 1021350781 /nfs/dbraw/zinc/35/07/81/1021350781.db2.gz JJFVXWQTWMOXIN-HXUWFJFHSA-N 1 1 337.442 3.794 20 30 EHEDMO C[N@@H+](CCCCC1(C#N)CCC1)CC(=O)NCCC1=CCCCC1 ZINC000933360204 1021365879 /nfs/dbraw/zinc/36/58/79/1021365879.db2.gz VXXXDOPWRVXEPP-UHFFFAOYSA-N 1 1 331.504 3.789 20 30 EHEDMO COc1ccc(C[NH2+]Cc2cccc(C#N)n2)c(OC2CCCC2)c1 ZINC000602566722 1032977293 /nfs/dbraw/zinc/97/72/93/1032977293.db2.gz ZFOYHIRBQCHIMY-UHFFFAOYSA-N 1 1 337.423 3.573 20 30 EHEDMO C=CCC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)OCC ZINC000449656509 1032984221 /nfs/dbraw/zinc/98/42/21/1032984221.db2.gz LFNQWURPJURAKY-HOJAQTOUSA-N 1 1 344.499 3.527 20 30 EHEDMO CCCO[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437153099 1021604217 /nfs/dbraw/zinc/60/42/17/1021604217.db2.gz FYPKGLQWXBEDSX-INIZCTEOSA-N 1 1 338.398 3.941 20 30 EHEDMO CN1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)Cc2ccccc21 ZINC000437160025 1021615719 /nfs/dbraw/zinc/61/57/19/1021615719.db2.gz NZMAKYCTFLBLSN-UHFFFAOYSA-N 1 1 343.377 3.612 20 30 EHEDMO CN1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)Cc2ccccc21 ZINC000437160025 1021615726 /nfs/dbraw/zinc/61/57/26/1021615726.db2.gz NZMAKYCTFLBLSN-UHFFFAOYSA-N 1 1 343.377 3.612 20 30 EHEDMO Cc1cc(Br)cn2c(C[NH2+]CC3(C#N)CCCC3)cnc12 ZINC000593653216 1032997487 /nfs/dbraw/zinc/99/74/87/1032997487.db2.gz FIUCIKLUMFUMHA-UHFFFAOYSA-N 1 1 347.260 3.579 20 30 EHEDMO N#Cc1c(Cl)nsc1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000051232084 1021807864 /nfs/dbraw/zinc/80/78/64/1021807864.db2.gz ZJXYVZKTKWUZNO-GFCCVEGCSA-N 1 1 336.848 3.900 20 30 EHEDMO C=C(C)[C@H]([NH2+]Cc1cc(C)c(C(=O)OC)[nH]1)c1ccc(F)c(F)c1 ZINC000602618262 1033012511 /nfs/dbraw/zinc/01/25/11/1033012511.db2.gz XDVQVIKQEOENNR-INIZCTEOSA-N 1 1 334.366 3.795 20 30 EHEDMO O=C(C[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)c1cccs1 ZINC000440955409 1021901675 /nfs/dbraw/zinc/90/16/75/1021901675.db2.gz SSJYTJYRVKZRRO-KRWDZBQOSA-N 1 1 327.424 3.976 20 30 EHEDMO O=C(C[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)c1cccs1 ZINC000440955409 1021901690 /nfs/dbraw/zinc/90/16/90/1021901690.db2.gz SSJYTJYRVKZRRO-KRWDZBQOSA-N 1 1 327.424 3.976 20 30 EHEDMO CCC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729484990 1021903849 /nfs/dbraw/zinc/90/38/49/1021903849.db2.gz YDXONRICRZBSKW-GOSISDBHSA-N 1 1 343.471 3.780 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000437573960 1021959310 /nfs/dbraw/zinc/95/93/10/1021959310.db2.gz DKDBAULDLQENCV-YLJYHZDGSA-N 1 1 333.435 3.769 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000437573960 1021959321 /nfs/dbraw/zinc/95/93/21/1021959321.db2.gz DKDBAULDLQENCV-YLJYHZDGSA-N 1 1 333.435 3.769 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000437593404 1021969190 /nfs/dbraw/zinc/96/91/90/1021969190.db2.gz UHQJQKPUIXXARH-UHFFFAOYSA-N 1 1 343.833 3.669 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(C)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520195122 1022008494 /nfs/dbraw/zinc/00/84/94/1022008494.db2.gz UTARFLIEVHBZQD-QGZVFWFLSA-N 1 1 333.439 3.720 20 30 EHEDMO Cc1cc(C#N)cc(NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000341569050 1022348878 /nfs/dbraw/zinc/34/88/78/1022348878.db2.gz XXGYOXVKWCJFLB-MRXNPFEDSA-N 1 1 334.467 3.528 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000438072698 1022353744 /nfs/dbraw/zinc/35/37/44/1022353744.db2.gz JHHGCUZDXMTAKM-ILXRZTDVSA-N 1 1 346.500 3.543 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000438072701 1022354535 /nfs/dbraw/zinc/35/45/35/1022354535.db2.gz JHHGCUZDXMTAKM-RBSFLKMASA-N 1 1 346.500 3.543 20 30 EHEDMO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1)C1CC1 ZINC000328758101 1022482156 /nfs/dbraw/zinc/48/21/56/1022482156.db2.gz VPCDFOHAJQCXTJ-DZGCQCFKSA-N 1 1 343.393 3.690 20 30 EHEDMO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1)C1CC1 ZINC000328758101 1022482164 /nfs/dbraw/zinc/48/21/64/1022482164.db2.gz VPCDFOHAJQCXTJ-DZGCQCFKSA-N 1 1 343.393 3.690 20 30 EHEDMO CCC[N@@H+](CC)CCNC(=O)c1sc2ccc(C#N)cc2c1C ZINC000517597195 1022485783 /nfs/dbraw/zinc/48/57/83/1022485783.db2.gz KAZALYRSHPUPMG-UHFFFAOYSA-N 1 1 329.469 3.543 20 30 EHEDMO Cc1nc(-c2cccc(NC(=O)CC[N@@H+]3CCCC[C@@H]3C)c2)n[nH]1 ZINC000328777072 1022488462 /nfs/dbraw/zinc/48/84/62/1022488462.db2.gz LGNHOOSJOIXRNZ-ZDUSSCGKSA-N 1 1 327.432 3.633 20 30 EHEDMO CCc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N(CC)C[C@H](C)C#N)o1 ZINC000303811912 1022519612 /nfs/dbraw/zinc/51/96/12/1022519612.db2.gz LHOKQJGECSPXOR-SJLPKXTDSA-N 1 1 345.487 3.767 20 30 EHEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)cc1 ZINC000120882234 1022560567 /nfs/dbraw/zinc/56/05/67/1022560567.db2.gz DTEPEZVRKXIDMB-MRXNPFEDSA-N 1 1 340.442 3.750 20 30 EHEDMO COc1ccccc1C[C@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000476231347 1033068478 /nfs/dbraw/zinc/06/84/78/1033068478.db2.gz LROXYIKXQVPDSQ-LJQANCHMSA-N 1 1 336.435 3.653 20 30 EHEDMO C=CC[C@@H]1[N@H+](Cc2c(Br)cnn2C)CCCC1(C)C ZINC000425996528 1022644640 /nfs/dbraw/zinc/64/46/40/1022644640.db2.gz QRDNHLUONMRTGO-AWEZNQCLSA-N 1 1 326.282 3.749 20 30 EHEDMO C=CC[C@@H]1[N@@H+](Cc2c(Br)cnn2C)CCCC1(C)C ZINC000425996528 1022644657 /nfs/dbraw/zinc/64/46/57/1022644657.db2.gz QRDNHLUONMRTGO-AWEZNQCLSA-N 1 1 326.282 3.749 20 30 EHEDMO CCCCCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001266889789 1022709796 /nfs/dbraw/zinc/70/97/96/1022709796.db2.gz CUZXQCTZUZAVHU-AEFFLSMTSA-N 1 1 347.503 3.588 20 30 EHEDMO CO[C@H](C)c1nc(C)c(C(=O)NCC[N@H+]2CCCC(C)(C)C2)s1 ZINC000330954483 1022716096 /nfs/dbraw/zinc/71/60/96/1022716096.db2.gz GSCZADDEBJCUKF-CYBMUJFWSA-N 1 1 339.505 3.586 20 30 EHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000330924178 1022719684 /nfs/dbraw/zinc/71/96/84/1022719684.db2.gz UIWVZPIBKJVZND-CABCVRRESA-N 1 1 348.447 3.562 20 30 EHEDMO COc1cc(CN2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)ccc1C#N ZINC000383070301 1022733916 /nfs/dbraw/zinc/73/39/16/1022733916.db2.gz LCUGXCVFZJJKPC-SFHVURJKSA-N 1 1 349.478 3.663 20 30 EHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000331100649 1022744447 /nfs/dbraw/zinc/74/44/47/1022744447.db2.gz BKALENHXYGRPKP-LJQANCHMSA-N 1 1 347.890 3.574 20 30 EHEDMO Cc1ccccc1[C@@H]1C[N@H+](CCOc2ccccc2C#N)[C@@H](C)CO1 ZINC000441447549 1022870214 /nfs/dbraw/zinc/87/02/14/1022870214.db2.gz DPTSCYJYAFBJLY-UWJYYQICSA-N 1 1 336.435 3.708 20 30 EHEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCOc2ccccc2C#N)[C@@H](C)CO1 ZINC000441447549 1022870233 /nfs/dbraw/zinc/87/02/33/1022870233.db2.gz DPTSCYJYAFBJLY-UWJYYQICSA-N 1 1 336.435 3.708 20 30 EHEDMO Cc1ccccc1[C@H]1C[N@H+](CCOc2cccc(C#N)c2)[C@@H](C)CO1 ZINC000441455987 1022891509 /nfs/dbraw/zinc/89/15/09/1022891509.db2.gz FALRVBPUHKOSJK-LAUBAEHRSA-N 1 1 336.435 3.708 20 30 EHEDMO Cc1ccccc1[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)[C@@H](C)CO1 ZINC000441455987 1022891519 /nfs/dbraw/zinc/89/15/19/1022891519.db2.gz FALRVBPUHKOSJK-LAUBAEHRSA-N 1 1 336.435 3.708 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000430936389 1022906537 /nfs/dbraw/zinc/90/65/37/1022906537.db2.gz UTCSUTIKZHZKEQ-MJGOQNOKSA-N 1 1 342.487 3.595 20 30 EHEDMO C=CC[C@H]1[N@H+](Cc2c(Br)cnn2C)CCCC1(C)C ZINC000425996529 1023040717 /nfs/dbraw/zinc/04/07/17/1023040717.db2.gz QRDNHLUONMRTGO-CQSZACIVSA-N 1 1 326.282 3.749 20 30 EHEDMO C=CC[C@H]1[N@@H+](Cc2c(Br)cnn2C)CCCC1(C)C ZINC000425996529 1023040727 /nfs/dbraw/zinc/04/07/27/1023040727.db2.gz QRDNHLUONMRTGO-CQSZACIVSA-N 1 1 326.282 3.749 20 30 EHEDMO C=C(C)CCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000459011392 1023073851 /nfs/dbraw/zinc/07/38/51/1023073851.db2.gz XJOZGRUFMUIEBC-PKOBYXMFSA-N 1 1 329.488 3.647 20 30 EHEDMO Cc1cnn(CC[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 ZINC000341887431 1023566164 /nfs/dbraw/zinc/56/61/64/1023566164.db2.gz IFVXVPIYLHGTDY-UHFFFAOYSA-N 1 1 348.425 3.905 20 30 EHEDMO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000610970087 1023917149 /nfs/dbraw/zinc/91/71/49/1023917149.db2.gz ZBXDDIMLHLXLGH-LBPRGKRZSA-N 1 1 341.386 3.515 20 30 EHEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnn(C2CCCCC2)c1C ZINC000329702422 1024106771 /nfs/dbraw/zinc/10/67/71/1024106771.db2.gz IDBCOTOEBISZNS-QGZVFWFLSA-N 1 1 332.492 3.876 20 30 EHEDMO Cc1ccccc1C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000514184927 1024190901 /nfs/dbraw/zinc/19/09/01/1024190901.db2.gz AJTMMMWJOCXFIY-HXUWFJFHSA-N 1 1 347.462 3.902 20 30 EHEDMO Cc1nc(C)c(NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)s1 ZINC000329839110 1024217580 /nfs/dbraw/zinc/21/75/80/1024217580.db2.gz VZMFNVXBNFKMCT-XJKSGUPXSA-N 1 1 344.484 3.921 20 30 EHEDMO CC(C)(CN1CCCC1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000449775492 1033196647 /nfs/dbraw/zinc/19/66/47/1033196647.db2.gz QVKIDJYLVKTMPT-UHFFFAOYSA-N 1 1 325.378 3.541 20 30 EHEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2c[nH]c3cccnc23)C1 ZINC000329887582 1024236501 /nfs/dbraw/zinc/23/65/01/1024236501.db2.gz XPCMBSWJVMQKDR-OKILXGFUSA-N 1 1 328.460 3.624 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000425127773 1024275426 /nfs/dbraw/zinc/27/54/26/1024275426.db2.gz JJMNQZQQAUEIFD-QFBILLFUSA-N 1 1 339.483 3.732 20 30 EHEDMO O=C(N[C@@H]1CCCC[C@H]1O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000330165988 1024341230 /nfs/dbraw/zinc/34/12/30/1024341230.db2.gz XOFIFCKBZCJDCL-CGTJXYLNSA-N 1 1 345.487 3.753 20 30 EHEDMO CC(C)[C@H]1[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC12CCC2 ZINC000430100726 1024365028 /nfs/dbraw/zinc/36/50/28/1024365028.db2.gz VVLMCEOMEMYSSV-HXUWFJFHSA-N 1 1 334.467 3.969 20 30 EHEDMO N#Cc1ccnc(N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000342218881 1024443102 /nfs/dbraw/zinc/44/31/02/1024443102.db2.gz NLCPJKUMEDGMNL-MRXNPFEDSA-N 1 1 344.821 3.822 20 30 EHEDMO N#Cc1ccnc(N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000342218881 1024443113 /nfs/dbraw/zinc/44/31/13/1024443113.db2.gz NLCPJKUMEDGMNL-MRXNPFEDSA-N 1 1 344.821 3.822 20 30 EHEDMO Cc1cc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c(C#N)cn1 ZINC000425233216 1024482645 /nfs/dbraw/zinc/48/26/45/1024482645.db2.gz GFKIAFDTHVNEMW-KRWDZBQOSA-N 1 1 326.488 3.743 20 30 EHEDMO COc1cccc2c1OCCC[C@H]2[NH2+]Cc1cc(C#N)cnc1Cl ZINC000895640149 1024685396 /nfs/dbraw/zinc/68/53/96/1024685396.db2.gz NRJBYKJJAMCBGS-OAHLLOKOSA-N 1 1 343.814 3.619 20 30 EHEDMO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)cc1C#N ZINC000361575185 1024711178 /nfs/dbraw/zinc/71/11/78/1024711178.db2.gz AYGHNUOXCYANMW-KRWDZBQOSA-N 1 1 344.256 3.996 20 30 EHEDMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)cc1C#N ZINC000361575185 1024711192 /nfs/dbraw/zinc/71/11/92/1024711192.db2.gz AYGHNUOXCYANMW-KRWDZBQOSA-N 1 1 344.256 3.996 20 30 EHEDMO CCC[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000342290887 1024739295 /nfs/dbraw/zinc/73/92/95/1024739295.db2.gz HOFZOGTWOVUCDE-GOSISDBHSA-N 1 1 343.377 3.906 20 30 EHEDMO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000346454676 1024748300 /nfs/dbraw/zinc/74/83/00/1024748300.db2.gz OZHQEVHNHBDRBA-INIZCTEOSA-N 1 1 345.446 3.500 20 30 EHEDMO C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000346454676 1024748312 /nfs/dbraw/zinc/74/83/12/1024748312.db2.gz OZHQEVHNHBDRBA-INIZCTEOSA-N 1 1 345.446 3.500 20 30 EHEDMO CC(C)Cc1ccc([C@H](CNCc2ccc(C#N)o2)[NH+](C)C)cc1 ZINC000514812406 1024763815 /nfs/dbraw/zinc/76/38/15/1024763815.db2.gz KPPSECJZDXICDH-FQEVSTJZSA-N 1 1 325.456 3.742 20 30 EHEDMO CC(C)Cc1ccc([C@@H](CNCc2ccc(C#N)o2)[NH+](C)C)cc1 ZINC000514812407 1024764878 /nfs/dbraw/zinc/76/48/78/1024764878.db2.gz KPPSECJZDXICDH-HXUWFJFHSA-N 1 1 325.456 3.742 20 30 EHEDMO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399015605 1024780169 /nfs/dbraw/zinc/78/01/69/1024780169.db2.gz BWRJDQYEPQLRAT-PGRDOPGGSA-N 1 1 333.479 3.753 20 30 EHEDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)[nH]1 ZINC000277379862 1024835142 /nfs/dbraw/zinc/83/51/42/1024835142.db2.gz XNWKQHRROFVYGJ-BFHYXJOUSA-N 1 1 327.432 3.632 20 30 EHEDMO CCc1oc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1C(=O)OC ZINC000425363311 1024860593 /nfs/dbraw/zinc/86/05/93/1024860593.db2.gz BFVSJNRTKUUIRV-ZDUSSCGKSA-N 1 1 326.396 3.693 20 30 EHEDMO CCc1oc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1C(=O)OC ZINC000425363311 1024860606 /nfs/dbraw/zinc/86/06/06/1024860606.db2.gz BFVSJNRTKUUIRV-ZDUSSCGKSA-N 1 1 326.396 3.693 20 30 EHEDMO CCCC[C@H](CC)C[N@@H+]1CC[C@H]2CN(C(=O)CCS)C[C@H]2CC1 ZINC001269953385 1024894952 /nfs/dbraw/zinc/89/49/52/1024894952.db2.gz PBWMGZDEMSVQBQ-OKZBNKHCSA-N 1 1 340.577 3.693 20 30 EHEDMO COc1ccc(C[NH2+]Cc2cc(F)ccc2F)cc1OCCCC#N ZINC000105496172 1024951571 /nfs/dbraw/zinc/95/15/71/1024951571.db2.gz PLBCDBJFQXNUJJ-UHFFFAOYSA-N 1 1 346.377 3.946 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000428044059 1024955908 /nfs/dbraw/zinc/95/59/08/1024955908.db2.gz IZRYPUAQPHKGKT-IEBWSBKVSA-N 1 1 330.447 3.605 20 30 EHEDMO C=CCC(F)(F)C(=O)N1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001270000494 1025070592 /nfs/dbraw/zinc/07/05/92/1025070592.db2.gz DQKAYEYMNGJYDF-SFHVURJKSA-N 1 1 340.458 3.845 20 30 EHEDMO C=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](CC)CCCC)C(F)(F)F ZINC001270008140 1025126079 /nfs/dbraw/zinc/12/60/79/1025126079.db2.gz MGRLDUHFYXQDKR-OAGGEKHMSA-N 1 1 346.437 3.997 20 30 EHEDMO C=CCC[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000435765304 1025127512 /nfs/dbraw/zinc/12/75/12/1025127512.db2.gz SLOOQHKCXDCRFB-RBUKOAKNSA-N 1 1 327.472 3.572 20 30 EHEDMO C=CCS(=O)(=O)CC[NH2+][C@@H](CC)c1ccc(Cl)cc1Cl ZINC000783532674 1025179689 /nfs/dbraw/zinc/17/96/89/1025179689.db2.gz SVJPWKOPHPDFOT-AWEZNQCLSA-N 1 1 336.284 3.635 20 30 EHEDMO C[N@H+]1CC[C@@H](C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000515370266 1025186316 /nfs/dbraw/zinc/18/63/16/1025186316.db2.gz VVMKPJXAOKYNDI-OAHLLOKOSA-N 1 1 337.448 3.600 20 30 EHEDMO CC(C)C[N@@H+](CC(=O)N[C@H]1CCCC[C@H]1C)Cc1ccc(C#N)cc1 ZINC000521195621 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C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000502467686 1028243462 /nfs/dbraw/zinc/24/34/62/1028243462.db2.gz IWFXWEVTUHHGAA-AWEZNQCLSA-N 1 1 330.378 3.980 20 30 EHEDMO CCN(c1cc[nH+]c(NCc2cc(C#N)cs2)n1)C1CCCC1 ZINC000508507847 1028248080 /nfs/dbraw/zinc/24/80/80/1028248080.db2.gz WCOGDYPJUKCDSR-UHFFFAOYSA-N 1 1 327.457 3.791 20 30 EHEDMO C=CC[C@@H]1[N@@H+](Cc2cc(=O)n3c(C)csc3n2)CCCC1(C)C ZINC000444775229 1028262880 /nfs/dbraw/zinc/26/28/80/1028262880.db2.gz MFIDMUFJTRRUFQ-HNNXBMFYSA-N 1 1 331.485 3.631 20 30 EHEDMO COC(=O)c1cccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502507730 1028272855 /nfs/dbraw/zinc/27/28/55/1028272855.db2.gz OXQKIOIHBJQUOH-UHFFFAOYSA-N 1 1 332.403 3.634 20 30 EHEDMO N#CCCN(C(=O)C[N@H+]1CCCC12CCC2)c1cccc(Cl)c1 ZINC000444785801 1028282822 /nfs/dbraw/zinc/28/28/22/1028282822.db2.gz SFJZUWSPLAUYLU-UHFFFAOYSA-N 1 1 331.847 3.605 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444793637 1028291543 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N#Cc1ccc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c(F)c1 ZINC000053906588 1028351305 /nfs/dbraw/zinc/35/13/05/1028351305.db2.gz NFURBNAJQXPRDW-INIZCTEOSA-N 1 1 330.428 3.940 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@H](C)CC1 ZINC000068829138 1028408171 /nfs/dbraw/zinc/40/81/71/1028408171.db2.gz IWJLHDVEWCKYFB-HOTGVXAUSA-N 1 1 331.435 3.583 20 30 EHEDMO C=CCOc1ccc(C[N@H+](Cc2cnnn2CC)C(C)(C)C)cc1 ZINC000459378930 1028417606 /nfs/dbraw/zinc/41/76/06/1028417606.db2.gz ZUNLYMWPQCCSOR-UHFFFAOYSA-N 1 1 328.460 3.664 20 30 EHEDMO COc1cc(CNc2cccc(CC[N@@H+](C)C3CC3)c2)ccc1C#N ZINC000440623554 1028427246 /nfs/dbraw/zinc/42/72/46/1028427246.db2.gz LGMIADAUCMKIBJ-UHFFFAOYSA-N 1 1 335.451 3.816 20 30 EHEDMO C=CCN(Cc1ccccc1)C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000194330965 1028509677 /nfs/dbraw/zinc/50/96/77/1028509677.db2.gz VGHNZEUCHYQWQB-UHFFFAOYSA-N 1 1 349.478 3.821 20 30 EHEDMO C=CC[C@H]1N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCCC1(C)C ZINC000445128448 1028543103 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COc1cccc(NC(=O)[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2ccccc2)c1 ZINC000424135587 1028823911 /nfs/dbraw/zinc/82/39/11/1028823911.db2.gz ZJVFEPLXIMNCIA-QKYXUNIQSA-N 1 1 349.434 3.657 20 30 EHEDMO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1occc1C ZINC000414554119 1028833513 /nfs/dbraw/zinc/83/35/13/1028833513.db2.gz UEVPDRHREXNIMM-UHFFFAOYSA-N 1 1 349.438 3.782 20 30 EHEDMO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000424297031 1028938316 /nfs/dbraw/zinc/93/83/16/1028938316.db2.gz PPFNDNYAHXIYKP-MNVIUDHYSA-N 1 1 340.511 3.610 20 30 EHEDMO Cc1cc(F)cc2c1ncc(C#N)c2N1CCC2(CCC[N@@H+]2C)CC1 ZINC000445597294 1028980580 /nfs/dbraw/zinc/98/05/80/1028980580.db2.gz OMOBNUBMVHKPJE-UHFFFAOYSA-N 1 1 338.430 3.619 20 30 EHEDMO Cc1cccn2cc(C[NH2+]Cc3cccc(OCCCC#N)c3)nc12 ZINC000076894879 1029056589 /nfs/dbraw/zinc/05/65/89/1029056589.db2.gz AGKFVAVHLCZBGK-UHFFFAOYSA-N 1 1 334.423 3.615 20 30 EHEDMO C=CCOc1ccccc1C[NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000237293833 1029089480 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EHEDMO C=CC[C@H](CC)NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000454925461 1029464402 /nfs/dbraw/zinc/46/44/02/1029464402.db2.gz YTZWBDPYMFZUSQ-MJGOQNOKSA-N 1 1 329.488 3.505 20 30 EHEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C ZINC000729809978 1029561222 /nfs/dbraw/zinc/56/12/22/1029561222.db2.gz QBRBVAFHFJZUSZ-ZWKOTPCHSA-N 1 1 343.467 3.527 20 30 EHEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000533290806 1029582858 /nfs/dbraw/zinc/58/28/58/1029582858.db2.gz MXNINHXJRNALAQ-XNJGSVPQSA-N 1 1 331.847 3.803 20 30 EHEDMO CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000533299476 1029602707 /nfs/dbraw/zinc/60/27/07/1029602707.db2.gz CEPJEQXYYMNLOR-ZIAGYGMSSA-N 1 1 345.512 3.948 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000533346743 1029627540 /nfs/dbraw/zinc/62/75/40/1029627540.db2.gz AHUBJKLKQPDQPN-MRXNPFEDSA-N 1 1 344.455 3.511 20 30 EHEDMO CCn1nc(C)c(C[NH2+][C@H](CCC#N)c2ccc(OC)cc2)c1C ZINC000583361588 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C[N@H+](Cc1ccc(C#N)cc1)Cc1cc2c(cc1Cl)OCCO2 ZINC000344141004 1043321430 /nfs/dbraw/zinc/32/14/30/1043321430.db2.gz ZGBXWUJCKNEYGM-UHFFFAOYSA-N 1 1 328.799 3.615 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc2c(cc1Cl)OCCO2 ZINC000344141004 1043321436 /nfs/dbraw/zinc/32/14/36/1043321436.db2.gz ZGBXWUJCKNEYGM-UHFFFAOYSA-N 1 1 328.799 3.615 20 30 EHEDMO C=CC[C@@H](CC)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000512168873 1043568222 /nfs/dbraw/zinc/56/82/22/1043568222.db2.gz WGZGDGOBHYKTAQ-MOPGFXCFSA-N 1 1 343.515 3.941 20 30 EHEDMO C=CC[C@H](CC)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000512168874 1043568772 /nfs/dbraw/zinc/56/87/72/1043568772.db2.gz WGZGDGOBHYKTAQ-OALUTQOASA-N 1 1 343.515 3.941 20 30 EHEDMO C=CC[N@H+](C1CCN(C(=O)c2cccc(OC)c2)CC1)C(C)(C)C ZINC001167886424 1044405139 /nfs/dbraw/zinc/40/51/39/1044405139.db2.gz ACXVTEOHTQOONI-UHFFFAOYSA-N 1 1 330.472 3.586 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000344861835 1044539684 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C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)C1 ZINC000073303123 1127237354 /nfs/dbraw/zinc/23/73/54/1127237354.db2.gz WUVMXKGHPOJNLS-MRXNPFEDSA-N 1 1 349.434 3.531 20 30 EHEDMO C=CCCC[C@H](C)NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000181415314 1127276158 /nfs/dbraw/zinc/27/61/58/1127276158.db2.gz BEZYUYNALGEKKQ-AZUAARDMSA-N 1 1 343.515 3.895 20 30 EHEDMO COC[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccc(F)cc1 ZINC001168540846 1127612452 /nfs/dbraw/zinc/61/24/52/1127612452.db2.gz DVSWEJYEMWZKNH-QGZVFWFLSA-N 1 1 348.805 3.859 20 30 EHEDMO Cc1nc2sc3c(c2c(N=NC2CC[N@H+]4CCC[C@@H]24)n1)CCCC3 ZINC000765556950 1127664281 /nfs/dbraw/zinc/66/42/81/1127664281.db2.gz RAFXSZCNTRFLKS-AWEZNQCLSA-N 1 1 341.484 3.515 20 30 EHEDMO Cc1cc(C#N)cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC001670905534 1128019504 /nfs/dbraw/zinc/01/95/04/1128019504.db2.gz HHRIJXZSTDPTGB-JXFKEZNVSA-N 1 1 348.450 3.651 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c1 ZINC000347585406 1128122117 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N#Cc1ccc(NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cn1 ZINC000301495412 1128593292 /nfs/dbraw/zinc/59/32/92/1128593292.db2.gz BKNLVHKIFRLUSS-KRWDZBQOSA-N 1 1 344.821 3.995 20 30 EHEDMO C[N@@H+](CCNc1c(C#N)cnc2ccccc21)Cc1ccc(F)cc1 ZINC000301535699 1128595715 /nfs/dbraw/zinc/59/57/15/1128595715.db2.gz MMKIQXLZQGFXGR-UHFFFAOYSA-N 1 1 334.398 3.789 20 30 EHEDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000301659705 1128600765 /nfs/dbraw/zinc/60/07/65/1128600765.db2.gz CDXJFCALCMSPEN-AWEZNQCLSA-N 1 1 348.372 3.770 20 30 EHEDMO C[N@@H+]1CC[C@@H](Nc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301847507 1128607986 /nfs/dbraw/zinc/60/79/86/1128607986.db2.gz NLJOUJQCILVLBB-WBVHZDCISA-N 1 1 330.794 3.603 20 30 EHEDMO C[N@H+]1CC[C@@H](Nc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301847507 1128607988 /nfs/dbraw/zinc/60/79/88/1128607988.db2.gz NLJOUJQCILVLBB-WBVHZDCISA-N 1 1 330.794 3.603 20 30 EHEDMO CC(C)C[N@H+]1CC[C@@H](CNc2ccc(C#N)cc2Br)C1 ZINC000301850658 1128608569 /nfs/dbraw/zinc/60/85/69/1128608569.db2.gz FBEVGGMPOQQZKK-AWEZNQCLSA-N 1 1 336.277 3.711 20 30 EHEDMO C[N@H+]1CC[C@H](CNc2ccc(C#N)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301885212 1128610532 /nfs/dbraw/zinc/61/05/32/1128610532.db2.gz ONTKUDTUKVADBH-ACJLOTCBSA-N 1 1 344.821 3.851 20 30 EHEDMO C[NH+](C)[C@@H](CNc1nc2ccccn2c1C#N)c1ccccc1Cl ZINC000302111675 1128620152 /nfs/dbraw/zinc/62/01/52/1128620152.db2.gz UPXRMPDAGBLHPE-INIZCTEOSA-N 1 1 339.830 3.574 20 30 EHEDMO CC[C@H]1CN(c2ncc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000302138652 1128621787 /nfs/dbraw/zinc/62/17/87/1128621787.db2.gz CQAOTHUZENZDLZ-KRWDZBQOSA-N 1 1 340.858 3.707 20 30 EHEDMO CC[C@H]1CN(c2ncc(C#N)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000302138652 1128621789 /nfs/dbraw/zinc/62/17/89/1128621789.db2.gz CQAOTHUZENZDLZ-KRWDZBQOSA-N 1 1 340.858 3.707 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000302227314 1128627406 /nfs/dbraw/zinc/62/74/06/1128627406.db2.gz WSPSURSTPJBGAO-NVXWUHKLSA-N 1 1 342.443 3.557 20 30 EHEDMO C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000765875261 1128630776 /nfs/dbraw/zinc/63/07/76/1128630776.db2.gz YVLQSVLBDGQHCJ-MAUKXSAKSA-N 1 1 334.891 3.953 20 30 EHEDMO C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000765875261 1128630781 /nfs/dbraw/zinc/63/07/81/1128630781.db2.gz YVLQSVLBDGQHCJ-MAUKXSAKSA-N 1 1 334.891 3.953 20 30 EHEDMO CC#CC(=O)N1CCC[C@]2(CCC[N@H+](C[C@@H](CC)CCCC)C2)C1 ZINC001272887404 1128647340 /nfs/dbraw/zinc/64/73/40/1128647340.db2.gz MLHAFUPPTZDIGZ-FPOVZHCZSA-N 1 1 332.532 3.931 20 30 EHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000302812644 1128649386 /nfs/dbraw/zinc/64/93/86/1128649386.db2.gz YHZWJEVTYROILW-HXUWFJFHSA-N 1 1 342.483 3.813 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2C2CCC2)cc1Cl ZINC000303141578 1128667023 /nfs/dbraw/zinc/66/70/23/1128667023.db2.gz DAUINNQEUZVVJV-KRWDZBQOSA-N 1 1 331.847 3.805 20 30 EHEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000303861034 1128704137 /nfs/dbraw/zinc/70/41/37/1128704137.db2.gz OYVTUAMJODJSTI-HNNXBMFYSA-N 1 1 347.890 3.545 20 30 EHEDMO CC(C)[N@@H+](CC(=O)NCCC1=CCCCC1)Cc1ccc(C#N)cc1 ZINC000109405199 1128731116 /nfs/dbraw/zinc/73/11/16/1128731116.db2.gz IAZBZSNQDOIERD-UHFFFAOYSA-N 1 1 339.483 3.775 20 30 EHEDMO CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000072858161 1128740572 /nfs/dbraw/zinc/74/05/72/1128740572.db2.gz UKZCAWFHVVVSGR-IBGZPJMESA-N 1 1 333.479 3.999 20 30 EHEDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000072858161 1128740575 /nfs/dbraw/zinc/74/05/75/1128740575.db2.gz UKZCAWFHVVVSGR-IBGZPJMESA-N 1 1 333.479 3.999 20 30 EHEDMO COc1ccc(C#N)cc1CN(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388219150 1128833004 /nfs/dbraw/zinc/83/30/04/1128833004.db2.gz WHRMBCLFRKZKOE-NRFANRHFSA-N 1 1 349.478 3.663 20 30 EHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000063522643 1128882380 /nfs/dbraw/zinc/88/23/80/1128882380.db2.gz HGSZMHGBSHKAKZ-HXUWFJFHSA-N 1 1 347.462 3.984 20 30 EHEDMO CC(C)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C(C)C ZINC000063495941 1128880676 /nfs/dbraw/zinc/88/06/76/1128880676.db2.gz KQJJZZNJZSBOMH-UHFFFAOYSA-N 1 1 333.501 3.803 20 30 EHEDMO N#Cc1c(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)cn2ccccc12 ZINC000075864160 1128887444 /nfs/dbraw/zinc/88/74/44/1128887444.db2.gz WIBCPULSCHPICO-LJQANCHMSA-N 1 1 345.446 3.850 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)cc2cccnc21 ZINC000063753829 1128896943 /nfs/dbraw/zinc/89/69/43/1128896943.db2.gz DCZSPSOGCUBQGQ-UHFFFAOYSA-N 1 1 349.409 3.894 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)C[C@@H]1CCc2ccccc21 ZINC000595877279 1120362179 /nfs/dbraw/zinc/36/21/79/1120362179.db2.gz IQEWCYHROWFTDB-SFHVURJKSA-N 1 1 333.435 3.549 20 30 EHEDMO C[C@H](NCc1cc(C#N)cs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309763651 1128914392 /nfs/dbraw/zinc/91/43/92/1128914392.db2.gz FKZRAMJGUSZVBB-YJBOKZPZSA-N 1 1 325.481 3.620 20 30 EHEDMO C[C@H](NCc1cc(C#N)cs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309763651 1128914394 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CCC[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000192094748 1120713292 /nfs/dbraw/zinc/71/32/92/1120713292.db2.gz REHUMNMPLFDVPZ-HNNXBMFYSA-N 1 1 339.414 3.937 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000192094748 1120713297 /nfs/dbraw/zinc/71/32/97/1120713297.db2.gz REHUMNMPLFDVPZ-HNNXBMFYSA-N 1 1 339.414 3.937 20 30 EHEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000193636236 1120789146 /nfs/dbraw/zinc/78/91/46/1120789146.db2.gz CWTPMHLZCUAUOJ-JKSUJKDBSA-N 1 1 342.487 3.730 20 30 EHEDMO C=CCCC[C@@H](C)NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194293556 1120833494 /nfs/dbraw/zinc/83/34/94/1120833494.db2.gz IATIEJGZRWVHSF-IEBWSBKVSA-N 1 1 329.488 3.553 20 30 EHEDMO C=CCC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000250128551 1120954959 /nfs/dbraw/zinc/95/49/59/1120954959.db2.gz WPEKWDYWEZUODK-AZUAARDMSA-N 1 1 328.500 3.831 20 30 EHEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+]([C@@H](C)Cc1cccc(F)c1)C2 ZINC001168478672 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EHEDMO C[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 ZINC000920417650 1123366072 /nfs/dbraw/zinc/36/60/72/1123366072.db2.gz KRKGQUCNYWRTIV-DYESRHJHSA-N 1 1 336.435 3.789 20 30 EHEDMO C[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 ZINC000920417650 1123366076 /nfs/dbraw/zinc/36/60/76/1123366076.db2.gz KRKGQUCNYWRTIV-DYESRHJHSA-N 1 1 336.435 3.789 20 30 EHEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(OCc2cccnc2)cc1 ZINC000133593040 1123405976 /nfs/dbraw/zinc/40/59/76/1123405976.db2.gz GUUHTYCHXPJRAJ-IRXDYDNUSA-N 1 1 334.423 3.755 20 30 EHEDMO C=CCNC(=O)C[N@@H+](C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000134210830 1123501682 /nfs/dbraw/zinc/50/16/82/1123501682.db2.gz FVWOCPXUIIICDO-OAHLLOKOSA-N 1 1 343.496 3.722 20 30 EHEDMO C=CCNC(=O)C[N@H+](C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000134210830 1123501684 /nfs/dbraw/zinc/50/16/84/1123501684.db2.gz FVWOCPXUIIICDO-OAHLLOKOSA-N 1 1 343.496 3.722 20 30 EHEDMO C=CCOc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1OC ZINC000134214631 1123502383 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CCc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)o1 ZINC000610079122 1123727501 /nfs/dbraw/zinc/72/75/01/1123727501.db2.gz IDRRUSGFMSHOBM-PXNSSMCTSA-N 1 1 345.487 3.814 20 30 EHEDMO CCc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)o1 ZINC000610079122 1123727503 /nfs/dbraw/zinc/72/75/03/1123727503.db2.gz IDRRUSGFMSHOBM-PXNSSMCTSA-N 1 1 345.487 3.814 20 30 EHEDMO COC[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccc(C)o1 ZINC000080237586 1123747203 /nfs/dbraw/zinc/74/72/03/1123747203.db2.gz SUIAZGNWAWKYBK-GOSISDBHSA-N 1 1 328.412 3.748 20 30 EHEDMO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000179629671 1123804695 /nfs/dbraw/zinc/80/46/95/1123804695.db2.gz BUNKJKFWRVLPGH-QGZVFWFLSA-N 1 1 329.350 3.516 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c(C#N)c1C ZINC000114493643 1129152199 /nfs/dbraw/zinc/15/21/99/1129152199.db2.gz LMMGFXWOHDPCSE-YWZLYKJASA-N 1 1 341.455 3.917 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@]3(CC=CCC3)C2)c(C#N)c1C ZINC000114493643 1129152202 /nfs/dbraw/zinc/15/22/02/1129152202.db2.gz LMMGFXWOHDPCSE-YWZLYKJASA-N 1 1 341.455 3.917 20 30 EHEDMO Cc1ccncc1[C@@H](C)[NH2+]Cc1cc(C#N)ccc1Br ZINC000617219437 1124459045 /nfs/dbraw/zinc/45/90/45/1124459045.db2.gz BWRSVTXBZABYNM-GFCCVEGCSA-N 1 1 330.229 3.875 20 30 EHEDMO C=CC[C@@H](NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccncc1 ZINC000734658305 1131263045 /nfs/dbraw/zinc/26/30/45/1131263045.db2.gz QQXLTHIHSIDHDL-PKOBYXMFSA-N 1 1 344.503 3.653 20 30 EHEDMO C=CC[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCCC)c1ccncc1 ZINC000734668459 1131266645 /nfs/dbraw/zinc/26/66/45/1131266645.db2.gz GPHORTHANSFQBV-MOPGFXCFSA-N 1 1 344.503 3.653 20 30 EHEDMO C=CCN(C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)[C@@H](C)COC ZINC000617578931 1124666631 /nfs/dbraw/zinc/66/66/31/1124666631.db2.gz TZGUKWNGBPEAJK-KRWDZBQOSA-N 1 1 332.488 3.580 20 30 EHEDMO N#Cc1ccc(C[NH2+][C@H](Cn2cccn2)c2ccccc2)c(Cl)c1 ZINC000615226423 1124739230 /nfs/dbraw/zinc/73/92/30/1124739230.db2.gz UMWKCTGTYYJALE-LJQANCHMSA-N 1 1 336.826 3.939 20 30 EHEDMO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(F)c1F ZINC000181974543 1125100950 /nfs/dbraw/zinc/10/09/50/1125100950.db2.gz BZLMJPSYAHXISJ-JTQLQIEISA-N 1 1 349.768 3.779 20 30 EHEDMO CC(C)[N@H+](C)CC1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735309455 1131333700 /nfs/dbraw/zinc/33/37/00/1131333700.db2.gz OLHDDUQMYMKSDS-UHFFFAOYSA-N 1 1 349.906 3.795 20 30 EHEDMO CC(C)[N@@H+](C)CC1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735309455 1131333705 /nfs/dbraw/zinc/33/37/05/1131333705.db2.gz OLHDDUQMYMKSDS-UHFFFAOYSA-N 1 1 349.906 3.795 20 30 EHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000182101829 1125157718 /nfs/dbraw/zinc/15/77/18/1125157718.db2.gz WVAYEUCMXNCGQC-UHFFFAOYSA-N 1 1 346.386 3.558 20 30 EHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000182101829 1125157722 /nfs/dbraw/zinc/15/77/22/1125157722.db2.gz WVAYEUCMXNCGQC-UHFFFAOYSA-N 1 1 346.386 3.558 20 30 EHEDMO COc1cccc(C[N@@H+](C[C@@H](C)CCC#N)C2CCC(O)CC2)c1 ZINC000618886993 1125227714 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EHEDMO C[C@H]1C[C@H](NCc2ccc(C#N)c(Cl)c2)C[N@H+]1Cc1ccccc1 ZINC000619748377 1125400240 /nfs/dbraw/zinc/40/02/40/1125400240.db2.gz JQSHFWVOOLROLK-KXBFYZLASA-N 1 1 339.870 3.964 20 30 EHEDMO N#CCSc1ccccc1NC(=O)C[N@@H+](C1CC1)C1CCCC1 ZINC000152952082 1125406477 /nfs/dbraw/zinc/40/64/77/1125406477.db2.gz SREPZPHXCDBWGL-UHFFFAOYSA-N 1 1 329.469 3.648 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153169827 1125446659 /nfs/dbraw/zinc/44/66/59/1125446659.db2.gz ZPUDFZLZZMTVIM-UHFFFAOYSA-N 1 1 335.407 3.954 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153169827 1125446662 /nfs/dbraw/zinc/44/66/62/1125446662.db2.gz ZPUDFZLZZMTVIM-UHFFFAOYSA-N 1 1 335.407 3.954 20 30 EHEDMO Cc1ccc(C)c(N=NC(C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000735611705 1131363382 /nfs/dbraw/zinc/36/33/82/1131363382.db2.gz BOLUMESEAKULLT-OAQYLSRUSA-N 1 1 337.467 3.992 20 30 EHEDMO Cc1ccc(C)c(N=NC(C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000735611705 1131363383 /nfs/dbraw/zinc/36/33/83/1131363383.db2.gz BOLUMESEAKULLT-OAQYLSRUSA-N 1 1 337.467 3.992 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000067966450 1129326623 /nfs/dbraw/zinc/32/66/23/1129326623.db2.gz PRJDNHQBFSFWLB-INIZCTEOSA-N 1 1 346.434 3.842 20 30 EHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 ZINC000012328188 1129398871 /nfs/dbraw/zinc/39/88/71/1129398871.db2.gz CJDCFWLUZFEYAJ-INIZCTEOSA-N 1 1 337.398 3.548 20 30 EHEDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1Cl ZINC000069063652 1129419413 /nfs/dbraw/zinc/41/94/13/1129419413.db2.gz ISFLNNNIECAODE-OLZOCXBDSA-N 1 1 327.815 3.889 20 30 EHEDMO C=CC[C@@H](CC)NC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000466399426 1129423586 /nfs/dbraw/zinc/42/35/86/1129423586.db2.gz NUQZVBCXWBMGLA-VQTJNVASSA-N 1 1 343.515 3.895 20 30 EHEDMO CC(C)[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000428852014 1129529667 /nfs/dbraw/zinc/52/96/67/1129529667.db2.gz TWNRAKNKXASKSO-KRWDZBQOSA-N 1 1 335.451 3.646 20 30 EHEDMO N#Cc1ccc(Br)c(C[NH2+][C@H](c2ccccn2)C2CC2)c1 ZINC000922582252 1129581291 /nfs/dbraw/zinc/58/12/91/1129581291.db2.gz OCPCZATVYBZODX-KRWDZBQOSA-N 1 1 342.240 3.957 20 30 EHEDMO CC[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(OC)c(OC)c1 ZINC000428954323 1129636079 /nfs/dbraw/zinc/63/60/79/1129636079.db2.gz ICHOCTWAUHGETK-QGZVFWFLSA-N 1 1 328.387 3.955 20 30 EHEDMO CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000330551027 1129640523 /nfs/dbraw/zinc/64/05/23/1129640523.db2.gz MYXNFXCULOLQIF-GPMSIDNRSA-N 1 1 327.472 3.636 20 30 EHEDMO N#Cc1ccccc1COC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000735941325 1131392669 /nfs/dbraw/zinc/39/26/69/1131392669.db2.gz ZERPORGBZNWKRF-LJQANCHMSA-N 1 1 334.419 3.514 20 30 EHEDMO C=CCOc1ccc(C[N@H+](C[C@H](O)CC2(O)CCC2)C(C)(C)C)cc1 ZINC000625217372 1129767100 /nfs/dbraw/zinc/76/71/00/1129767100.db2.gz GJHVRFATNHDLSQ-GOSISDBHSA-N 1 1 347.499 3.518 20 30 EHEDMO N#Cc1cccc(C[NH+]2CCC3(CC2)OCCc2ccsc23)c1F ZINC000352785403 1129909753 /nfs/dbraw/zinc/90/97/53/1129909753.db2.gz YSYRTGKMLGOJOJ-UHFFFAOYSA-N 1 1 342.439 3.823 20 30 EHEDMO C=CC[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000625705131 1129987934 /nfs/dbraw/zinc/98/79/34/1129987934.db2.gz SGRUJYRQSJHYHA-ZDUSSCGKSA-N 1 1 337.261 3.676 20 30 EHEDMO CCOc1c(F)cccc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001212533316 1130298862 /nfs/dbraw/zinc/29/88/62/1130298862.db2.gz CASYXDLALYFSEF-UHFFFAOYSA-N 1 1 331.416 3.889 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)CC[C@H]1c1ccccc1 ZINC000245724852 1130309397 /nfs/dbraw/zinc/30/93/97/1130309397.db2.gz IPLCZEWRMYERGP-OXJNMPFZSA-N 1 1 330.435 3.832 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000245929068 1130331671 /nfs/dbraw/zinc/33/16/71/1130331671.db2.gz IQIHQOIOPURSCW-IAGOWNOFSA-N 1 1 342.464 3.716 20 30 EHEDMO C=CCc1cc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c(O)c(OC)c1 ZINC000766125428 1130366751 /nfs/dbraw/zinc/36/67/51/1130366751.db2.gz VHHLCFQUBSOBIK-CYBMUJFWSA-N 1 1 329.362 3.904 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000246634550 1130396394 /nfs/dbraw/zinc/39/63/94/1130396394.db2.gz ZPOJTEWUNBSSBB-GPMSIDNRSA-N 1 1 333.435 3.763 20 30 EHEDMO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000731032423 1130762399 /nfs/dbraw/zinc/76/23/99/1130762399.db2.gz JRAXAHVPJUDRMG-KRWDZBQOSA-N 1 1 327.472 3.656 20 30 EHEDMO C=CCOCCC[N@H+](CCC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000348047981 1131137160 /nfs/dbraw/zinc/13/71/60/1131137160.db2.gz GSWSMFLWIORMLJ-UHFFFAOYSA-N 1 1 344.499 3.596 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000739855275 1131512064 /nfs/dbraw/zinc/51/20/64/1131512064.db2.gz YGUPMHZVTMICPJ-MRXNPFEDSA-N 1 1 345.450 3.818 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000739914989 1131516970 /nfs/dbraw/zinc/51/69/70/1131516970.db2.gz MNNONRMODVMZRQ-UNMCSNQZSA-N 1 1 348.446 3.826 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000739914989 1131516974 /nfs/dbraw/zinc/51/69/74/1131516974.db2.gz MNNONRMODVMZRQ-UNMCSNQZSA-N 1 1 348.446 3.826 20 30 EHEDMO CC[N@H+]1CC[C@H](N(C)Cc2cc(Cl)ccc2OCC#N)C[C@@H]1C ZINC000740883939 1131552757 /nfs/dbraw/zinc/55/27/57/1131552757.db2.gz QRYBKFXILYKUAD-YOEHRIQHSA-N 1 1 335.879 3.547 20 30 EHEDMO CC[N@H+]1CCC(N=Nc2nc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000741461387 1131604892 /nfs/dbraw/zinc/60/48/92/1131604892.db2.gz WFBIJRODNXSFJI-LLVKDONJSA-N 1 1 333.823 3.520 20 30 EHEDMO CC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)[C@@H](C)C(C)C ZINC000741788504 1131647754 /nfs/dbraw/zinc/64/77/54/1131647754.db2.gz VQCCKHYXILFLHL-KBPBESRZSA-N 1 1 329.469 3.839 20 30 EHEDMO CC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)[C@@H](C)C(C)C ZINC000741788504 1131647757 /nfs/dbraw/zinc/64/77/57/1131647757.db2.gz VQCCKHYXILFLHL-KBPBESRZSA-N 1 1 329.469 3.839 20 30 EHEDMO COc1ccc(C[NH2+][C@@H](CN2CCCCC2)c2ccccc2)cc1C#N ZINC000742369588 1131716039 /nfs/dbraw/zinc/71/60/39/1131716039.db2.gz MYZXNSYCODJGDF-NRFANRHFSA-N 1 1 349.478 3.884 20 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/nfs/dbraw/zinc/99/58/02/1131995802.db2.gz AAAATXCKJZWKJL-UHFFFAOYSA-N 1 1 334.847 3.633 20 30 EHEDMO C=CCOC1CCC([N@@H+](CCCC(=O)OC)Cc2ccccc2)CC1 ZINC001173322178 1132046013 /nfs/dbraw/zinc/04/60/13/1132046013.db2.gz XIYIWHRCNSXNAJ-UHFFFAOYSA-N 1 1 345.483 3.956 20 30 EHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C1CCC(OCC=C)CC1)C2 ZINC001173324996 1132047227 /nfs/dbraw/zinc/04/72/27/1132047227.db2.gz XELSYGHNDNFDPP-TZWRJOPASA-N 1 1 349.515 3.574 20 30 EHEDMO C=CCOC1CCC([N@H+]2CCC[C@H](Oc3cccc(C)n3)C2)CC1 ZINC001173325271 1132047351 /nfs/dbraw/zinc/04/73/51/1132047351.db2.gz IQLLJXHLGWSOOS-ACBHZAAOSA-N 1 1 330.472 3.747 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@H+](C1CCC(CC#N)CC1)C2 ZINC001173330808 1132049211 /nfs/dbraw/zinc/04/92/11/1132049211.db2.gz DZFZEFWFKKUCPT-UHYCVJNDSA-N 1 1 347.503 3.934 20 30 EHEDMO CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCC[N@H+]2C1CCC(CC#N)CC1 ZINC001173335187 1132051428 /nfs/dbraw/zinc/05/14/28/1132051428.db2.gz CITCGSFZISURJR-GQGLESIBSA-N 1 1 333.476 3.543 20 30 EHEDMO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+]2C1CCC(CC#N)CC1 ZINC001173336239 1132052759 /nfs/dbraw/zinc/05/27/59/1132052759.db2.gz SQUGVCSIZUZBEJ-UHFFFAOYSA-N 1 1 333.476 3.544 20 30 EHEDMO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1C1CCC(CC#N)CC1 ZINC001173337586 1132053107 /nfs/dbraw/zinc/05/31/07/1132053107.db2.gz PGFJAHYEMDEWQM-ORBLRFAASA-N 1 1 335.492 3.836 20 30 EHEDMO C=CCCCC[N@H+](C)C1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC001173410472 1132066021 /nfs/dbraw/zinc/06/60/21/1132066021.db2.gz PJYOPNGHUULHLQ-UHFFFAOYSA-N 1 1 330.472 3.588 20 30 EHEDMO CCOC(=O)[C@H](CCc1ccccc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586848 1132095782 /nfs/dbraw/zinc/09/57/82/1132095782.db2.gz JYRNKYWWVRTGHE-FDYSRKEFSA-N 1 1 328.456 3.613 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@]12CCC[N@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173594061 1132098806 /nfs/dbraw/zinc/09/88/06/1132098806.db2.gz QLMVWFMQDBYIDR-GQOXECLESA-N 1 1 347.503 3.934 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173594269 1132098833 /nfs/dbraw/zinc/09/88/33/1132098833.db2.gz XPJIXAIUSJTIPY-GQOXECLESA-N 1 1 347.503 3.934 20 30 EHEDMO CCOC(=O)Cc1ccc2c(c1)C[N@@H+](C1CCC(C)(C#N)CC1)CC2 ZINC001173594143 1132099538 /nfs/dbraw/zinc/09/95/38/1132099538.db2.gz SUCLKXWVSSFMOA-UHFFFAOYSA-N 1 1 340.467 3.623 20 30 EHEDMO CCOC(=O)[C@H]1C[N@H+](C2CCC(C)(C#N)CC2)C[C@H]2CCCC[C@@H]12 ZINC001173594183 1132100171 /nfs/dbraw/zinc/10/01/71/1132100171.db2.gz UPKKBOBUPMKPRN-QUJXQBBWSA-N 1 1 332.488 3.760 20 30 EHEDMO CC(C)(C)OC(=O)N[C@H]1CC[C@H]2C[N@H+](C3CCC(C)(C#N)CC3)C[C@@H]21 ZINC001173597275 1132100862 /nfs/dbraw/zinc/10/08/62/1132100862.db2.gz ODXIMVDWBOXEBA-NAPDNLPASA-N 1 1 347.503 3.694 20 30 EHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000746055780 1132358830 /nfs/dbraw/zinc/35/88/30/1132358830.db2.gz FNNYSKKUMMAQQK-OAQYLSRUSA-N 1 1 347.462 3.947 20 30 EHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000746055780 1132358839 /nfs/dbraw/zinc/35/88/39/1132358839.db2.gz FNNYSKKUMMAQQK-OAQYLSRUSA-N 1 1 347.462 3.947 20 30 EHEDMO COc1cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc(F)c1F ZINC001174582639 1132406608 /nfs/dbraw/zinc/40/66/08/1132406608.db2.gz BUDXCINYSFADOJ-UHFFFAOYSA-N 1 1 335.379 3.638 20 30 EHEDMO C/C=C\C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC001175052896 1132550309 /nfs/dbraw/zinc/55/03/09/1132550309.db2.gz KBOZFWNDNWSUJT-PYLYLYNFSA-N 1 1 331.847 3.828 20 30 EHEDMO C/C=C\C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC001175052896 1132550315 /nfs/dbraw/zinc/55/03/15/1132550315.db2.gz KBOZFWNDNWSUJT-PYLYLYNFSA-N 1 1 331.847 3.828 20 30 EHEDMO CCOc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c(F)c1 ZINC001175247451 1132607988 /nfs/dbraw/zinc/60/79/88/1132607988.db2.gz WLGMPJSSAHKGOS-UHFFFAOYSA-N 1 1 331.416 3.889 20 30 EHEDMO COC(=O)c1cc(NC2=CC[N@@H+](Cc3ccccc3)CC2)ccc1C#N ZINC001175507907 1132696444 /nfs/dbraw/zinc/69/64/44/1132696444.db2.gz ZCCNJMGQLCINAO-UHFFFAOYSA-N 1 1 347.418 3.547 20 30 EHEDMO COc1cc(C#N)ccc1CO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2 ZINC000766742776 1132778661 /nfs/dbraw/zinc/77/86/61/1132778661.db2.gz BNHYOBWWNQNBNG-UHFFFAOYSA-N 1 1 339.439 3.782 20 30 EHEDMO C=C(C)c1ccccc1Nc1cccc(C(=O)N2CC[NH+](C)CC2)c1 ZINC001175929624 1132799253 /nfs/dbraw/zinc/79/92/53/1132799253.db2.gz UZZNIQUQRORTOT-UHFFFAOYSA-N 1 1 335.451 3.851 20 30 EHEDMO C=CC[C@@H]1[N@@H+](CC(=O)N(CCC)CC(F)(F)F)CCCC1(C)C ZINC001169845935 1132873935 /nfs/dbraw/zinc/87/39/35/1132873935.db2.gz YUHXHZJFVBMYPR-AWEZNQCLSA-N 1 1 334.426 3.854 20 30 EHEDMO C=CC[N@H+](C)CCN(CC)[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC001169844736 1132873977 /nfs/dbraw/zinc/87/39/77/1132873977.db2.gz PUIMKKZMAPEBCG-QGZVFWFLSA-N 1 1 339.483 3.607 20 30 EHEDMO C=CCc1cc(C)c[nH+]c1NC[C@H]1CC(=O)Nc2cc(OC)ccc21 ZINC001169912951 1132897648 /nfs/dbraw/zinc/89/76/48/1132897648.db2.gz MUEFIUGTKMZYNF-OAHLLOKOSA-N 1 1 337.423 3.665 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000766894948 1132912256 /nfs/dbraw/zinc/91/22/56/1132912256.db2.gz HHYVFFSQKMNPHW-UHFFFAOYSA-N 1 1 335.451 3.588 20 30 EHEDMO C#CCCC[N@@H+](C[C@H](O)COc1cccc2ccccc21)C(C)C ZINC000766895570 1132912584 /nfs/dbraw/zinc/91/25/84/1132912584.db2.gz MGFBAPWMYNMLTG-IBGZPJMESA-N 1 1 325.452 3.703 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](C)C2)cc1 ZINC000766989271 1132922000 /nfs/dbraw/zinc/92/20/00/1132922000.db2.gz UFEBFHNFEMXWLC-KURKYZTESA-N 1 1 327.472 3.608 20 30 EHEDMO C#CC[N@@H+](C[C@H]1CCC2(CCOCC2)O1)[C@@H]1CCCc2ccccc21 ZINC001176453408 1132938179 /nfs/dbraw/zinc/93/81/79/1132938179.db2.gz TXUQMRQPQJQJSD-TZIWHRDSSA-N 1 1 339.479 3.727 20 30 EHEDMO C=CCCC[N@H+](CC)CC(=O)Nc1cc(C)nn1-c1ccccc1F ZINC001176798147 1132997239 /nfs/dbraw/zinc/99/72/39/1132997239.db2.gz MBYVDFAPXQSEAM-UHFFFAOYSA-N 1 1 344.434 3.546 20 30 EHEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC001176814072 1133002269 /nfs/dbraw/zinc/00/22/69/1133002269.db2.gz JZPGMOGIIRABFE-UYAOXDASSA-N 1 1 342.483 3.789 20 30 EHEDMO C=CCN(CC=C)[C@H](C[NH2+]Cc1nc2c(s1)CCCC2)C(C)C ZINC001177222424 1133041974 /nfs/dbraw/zinc/04/19/74/1133041974.db2.gz JVFGCJZFKINGAC-QGZVFWFLSA-N 1 1 333.545 3.810 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCc3cccc(F)c3C2)c(O)c(OC)c1 ZINC000767989016 1133079636 /nfs/dbraw/zinc/07/96/36/1133079636.db2.gz KPJZKHMGZDUZKO-UHFFFAOYSA-N 1 1 327.399 3.827 20 30 EHEDMO C[C@H](C(=O)OCc1ccccc1C(C)(C)C#N)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000768030817 1133085436 /nfs/dbraw/zinc/08/54/36/1133085436.db2.gz RSZZFEQUIZUVDF-OWCLPIDISA-N 1 1 328.456 3.792 20 30 EHEDMO C[C@@H]1CC(N=Nc2cc(C#N)cc(Cl)n2)C[N@H+]1Cc1ccccc1 ZINC000768381258 1133134939 /nfs/dbraw/zinc/13/49/39/1133134939.db2.gz FNDJEIIIZDRTGI-CYBMUJFWSA-N 1 1 339.830 3.669 20 30 EHEDMO C=CCCCC[NH2+]Cc1ccc(CN(C)C)c2c1OC(F)(F)O2 ZINC001178545991 1133178127 /nfs/dbraw/zinc/17/81/27/1133178127.db2.gz GYQGNEKPQCQPIM-UHFFFAOYSA-N 1 1 326.387 3.516 20 30 EHEDMO C=CCOc1cccc(CNC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC001179015930 1133221837 /nfs/dbraw/zinc/22/18/37/1133221837.db2.gz REFFJCFNHILVHE-IRLDBZIGSA-N 1 1 336.479 3.686 20 30 EHEDMO C=CCOc1cccc(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC001179015930 1133221840 /nfs/dbraw/zinc/22/18/40/1133221840.db2.gz REFFJCFNHILVHE-IRLDBZIGSA-N 1 1 336.479 3.686 20 30 EHEDMO C=CCOc1cccc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)c1 ZINC001179015930 1133221843 /nfs/dbraw/zinc/22/18/43/1133221843.db2.gz REFFJCFNHILVHE-IRLDBZIGSA-N 1 1 336.479 3.686 20 30 EHEDMO C=C(C)COc1cc(CNC[C@H]2CC[N@@H+]2C2CCCC2)ccc1OC ZINC001179315959 1133243777 /nfs/dbraw/zinc/24/37/77/1133243777.db2.gz OVQZQXVRJJVBPW-LJQANCHMSA-N 1 1 344.499 3.757 20 30 EHEDMO C=C(C)COc1cc(CNC[C@H]2CC[N@H+]2C2CCCC2)ccc1OC ZINC001179315959 1133243784 /nfs/dbraw/zinc/24/37/84/1133243784.db2.gz OVQZQXVRJJVBPW-LJQANCHMSA-N 1 1 344.499 3.757 20 30 EHEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000769227806 1133246793 /nfs/dbraw/zinc/24/67/93/1133246793.db2.gz GUXPSOCPURVUBL-OAHLLOKOSA-N 1 1 328.362 3.857 20 30 EHEDMO Cc1ccc(C[NH2+]Cc2cc(O)ccc2Br)cc1C#N ZINC001179562764 1133258889 /nfs/dbraw/zinc/25/88/89/1133258889.db2.gz PFMZMPHVWFNTJO-UHFFFAOYSA-N 1 1 331.213 3.625 20 30 EHEDMO CCC[N@@H+](Cc1cc(C#N)cs1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769331842 1133263655 /nfs/dbraw/zinc/26/36/55/1133263655.db2.gz YBKOAJVYTPUOCO-HNNXBMFYSA-N 1 1 349.500 3.841 20 30 EHEDMO N#CC1(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CCOCC1 ZINC001179780767 1133278987 /nfs/dbraw/zinc/27/89/87/1133278987.db2.gz UFMUVRNVHAJBSH-UHFFFAOYSA-N 1 1 332.753 3.769 20 30 EHEDMO C[C@H]1COCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000769454989 1133293778 /nfs/dbraw/zinc/29/37/78/1133293778.db2.gz CLOXSVCJXMIARW-QGZVFWFLSA-N 1 1 336.435 3.606 20 30 EHEDMO Cc1[nH+]ccn1CCCC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000769507563 1133305608 /nfs/dbraw/zinc/30/56/08/1133305608.db2.gz CNLDBQOCTPGCND-UHFFFAOYSA-N 1 1 330.476 3.587 20 30 EHEDMO C[N@H+](CC#Cc1ccccc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001180257563 1133351296 /nfs/dbraw/zinc/35/12/96/1133351296.db2.gz GPJQDHVTGXYPLK-RBUKOAKNSA-N 1 1 346.257 3.935 20 30 EHEDMO C[N@@H+](CC#Cc1ccccc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001180257563 1133351302 /nfs/dbraw/zinc/35/13/02/1133351302.db2.gz GPJQDHVTGXYPLK-RBUKOAKNSA-N 1 1 346.257 3.935 20 30 EHEDMO C#C[C@@H](C)[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000769963480 1133366604 /nfs/dbraw/zinc/36/66/04/1133366604.db2.gz USHDLMVPGNVJJQ-MLGOLLRUSA-N 1 1 339.266 3.610 20 30 EHEDMO C#C[C@@H](C)[N@@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000769963480 1133366607 /nfs/dbraw/zinc/36/66/07/1133366607.db2.gz USHDLMVPGNVJJQ-MLGOLLRUSA-N 1 1 339.266 3.610 20 30 EHEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)OCC)C2)cc1 ZINC000770384536 1133417765 /nfs/dbraw/zinc/41/77/65/1133417765.db2.gz SGMGOVDCWFUPCS-GOSISDBHSA-N 1 1 343.467 3.644 20 30 EHEDMO CCCCCCC[C@H](C)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001181122544 1133455714 /nfs/dbraw/zinc/45/57/14/1133455714.db2.gz MHZILPDICXZUPX-IBGZPJMESA-N 1 1 345.531 3.765 20 30 EHEDMO COc1cccc(O)c1/C=N\C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000773905760 1133466989 /nfs/dbraw/zinc/46/69/89/1133466989.db2.gz NIBXHBGTVZRSSE-UUMRFZBWSA-N 1 1 338.451 3.730 20 30 EHEDMO C[C@H]1CN(Cc2csc(C#N)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001181808929 1133530778 /nfs/dbraw/zinc/53/07/78/1133530778.db2.gz SIXYMQNWFGWLBI-MRXNPFEDSA-N 1 1 325.481 3.574 20 30 EHEDMO CCCC[N@@H+](CC)[C@H](C(=O)N1CCCC[C@@H]1C#N)c1ccccc1 ZINC001182232761 1133594638 /nfs/dbraw/zinc/59/46/38/1133594638.db2.gz FCJVGCOIIJHMJL-MOPGFXCFSA-N 1 1 327.472 3.754 20 30 EHEDMO Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N[C@](C)(C#N)CC(C)C)C1 ZINC001182344559 1133638718 /nfs/dbraw/zinc/63/87/18/1133638718.db2.gz IXNJNQJLGMCQJA-FPOVZHCZSA-N 1 1 341.499 3.652 20 30 EHEDMO C#CC[N@H+](Cc1ccc(-n2cncn2)c(C)c1)[C@H]1CCc2ccccc21 ZINC000772600713 1133707710 /nfs/dbraw/zinc/70/77/10/1133707710.db2.gz XMNQKOIRVMUPSE-QFIPXVFZSA-N 1 1 342.446 3.698 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)cc1 ZINC000785988720 1133789104 /nfs/dbraw/zinc/78/91/04/1133789104.db2.gz NBVXWGVSHAXBNJ-UHFFFAOYSA-N 1 1 341.499 3.960 20 30 EHEDMO C=CCC[N@H+](C)Cn1cc(Br)c(-c2ccc(F)cc2)n1 ZINC000786102426 1133801086 /nfs/dbraw/zinc/80/10/86/1133801086.db2.gz XVKSGCWJJXQWHU-UHFFFAOYSA-N 1 1 338.224 3.917 20 30 EHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cc(Cl)cc2c1OCC2 ZINC001183420160 1133803904 /nfs/dbraw/zinc/80/39/04/1133803904.db2.gz XKXVKEYDHMBCFT-UHFFFAOYSA-N 1 1 326.827 3.821 20 30 EHEDMO Cc1ccc2cc(C[N@H+]3CCC[C@H](Nc4ccc(C#N)cn4)C3)[nH]c2c1 ZINC001183928202 1133880315 /nfs/dbraw/zinc/88/03/15/1133880315.db2.gz GINBEXBAPOJXNE-SFHVURJKSA-N 1 1 345.450 3.820 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)C1(CC2CC2)CCC(F)(F)CC1 ZINC001184669903 1133968537 /nfs/dbraw/zinc/96/85/37/1133968537.db2.gz UWXPLVOYMAIUBK-INIZCTEOSA-N 1 1 340.458 3.749 20 30 EHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccc(F)cc1C ZINC000746662970 1133975352 /nfs/dbraw/zinc/97/53/52/1133975352.db2.gz JEWZZLOMZFTEGW-IBGZPJMESA-N 1 1 344.386 3.764 20 30 EHEDMO N#Cc1cc(NC[C@H]2CCC[N@H+]2CC2CCCCC2)c([N+](=O)[O-])s1 ZINC001185263833 1134058895 /nfs/dbraw/zinc/05/88/95/1134058895.db2.gz RFAHYWCIVRDAPQ-CQSZACIVSA-N 1 1 348.472 3.985 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC000787994068 1134062001 /nfs/dbraw/zinc/06/20/01/1134062001.db2.gz BILIHLPJQWZFBQ-FQEVSTJZSA-N 1 1 341.455 3.534 20 30 EHEDMO C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)cc(Br)c2)CC1 ZINC000774992360 1134190360 /nfs/dbraw/zinc/19/03/60/1134190360.db2.gz PWWCSYQZNRGGAS-UHFFFAOYSA-N 1 1 337.305 3.888 20 30 EHEDMO C=C(C)C[NH+]1CCC(NCc2cc(C)cc(Br)c2)CC1 ZINC000774992360 1134190363 /nfs/dbraw/zinc/19/03/63/1134190363.db2.gz PWWCSYQZNRGGAS-UHFFFAOYSA-N 1 1 337.305 3.888 20 30 EHEDMO O=c1[nH]ccc2cc(N[NH+]=Cc3ccc(N4CCCCC4)cc3)ccc21 ZINC000789076794 1134218549 /nfs/dbraw/zinc/21/85/49/1134218549.db2.gz NFNPLNNCDRRXMZ-UHFFFAOYSA-N 1 1 346.434 3.964 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cc(C)c(OC(F)F)c(C)c2)n1 ZINC000789761395 1134327930 /nfs/dbraw/zinc/32/79/30/1134327930.db2.gz BIAXXCMNLJXSFC-UHFFFAOYSA-N 1 1 347.409 3.757 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)Cc2cc(C)c(OC(F)F)c(C)c2)n1 ZINC000789761395 1134327936 /nfs/dbraw/zinc/32/79/36/1134327936.db2.gz BIAXXCMNLJXSFC-UHFFFAOYSA-N 1 1 347.409 3.757 20 30 EHEDMO Cc1ccc(C#N)c(N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001187870370 1134396042 /nfs/dbraw/zinc/39/60/42/1134396042.db2.gz AJHHCKQUZYQLAU-HKBOAZHASA-N 1 1 346.478 3.974 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@](O)(c1ccccc1)C(C)C ZINC001170195567 1134711298 /nfs/dbraw/zinc/71/12/98/1134711298.db2.gz UOQIJXRLWVOMMZ-OAQYLSRUSA-N 1 1 343.467 3.694 20 30 EHEDMO C#CC[N@H+](CCC(=O)OCc1ccccc1)[C@H]1CCc2ccccc21 ZINC001190527858 1134713374 /nfs/dbraw/zinc/71/33/74/1134713374.db2.gz HVZOXLWLEFGDRL-NRFANRHFSA-N 1 1 333.431 3.743 20 30 EHEDMO N#Cc1c(F)cncc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001170332962 1134751484 /nfs/dbraw/zinc/75/14/84/1134751484.db2.gz KPHLTLQAVDMAKZ-OSYLJGHBSA-N 1 1 336.414 3.700 20 30 EHEDMO CCOC(=O)[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)[C@@H](C)CC ZINC001170362132 1134756891 /nfs/dbraw/zinc/75/68/91/1134756891.db2.gz NCZNTUVKECQKHP-OMMGITJUSA-N 1 1 342.483 3.958 20 30 EHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@]3(CCC(=O)O3)C2)CC1 ZINC001170396299 1134764600 /nfs/dbraw/zinc/76/46/00/1134764600.db2.gz WKAKNPWIAWENEK-MNLRITNHSA-N 1 1 338.451 3.562 20 30 EHEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC001191617707 1134891152 /nfs/dbraw/zinc/89/11/52/1134891152.db2.gz PLBXNLROMMGFGS-QGZVFWFLSA-N 1 1 347.503 3.521 20 30 EHEDMO C#C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccc(Cl)cc1F ZINC000804417800 1135071130 /nfs/dbraw/zinc/07/11/30/1135071130.db2.gz UDKCMBYVDPTYCB-QZTJIDSGSA-N 1 1 348.849 3.677 20 30 EHEDMO CC[C@H]1CN(CC#Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC001193208112 1135114582 /nfs/dbraw/zinc/11/45/82/1135114582.db2.gz AGZQSICGTHXZGG-QFIPXVFZSA-N 1 1 336.454 3.774 20 30 EHEDMO CC1(C)C[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC(C)(C)O1 ZINC001193474594 1135140780 /nfs/dbraw/zinc/14/07/80/1135140780.db2.gz ZBNZBEJHBHVKBT-UHFFFAOYSA-N 1 1 325.374 3.946 20 30 EHEDMO CCOc1ccc(/C=N\[C@H](C)C[N@@H+](C)Cc2ccccc2)c(O)c1 ZINC000775630124 1135359732 /nfs/dbraw/zinc/35/97/32/1135359732.db2.gz KAVZALGUFHKNTF-RDPIHGLISA-N 1 1 326.440 3.730 20 30 EHEDMO C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC001195290136 1135406945 /nfs/dbraw/zinc/40/69/45/1135406945.db2.gz UCYGCFKXIWMCFU-MOPGFXCFSA-N 1 1 330.447 3.668 20 30 EHEDMO C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001195287686 1135407026 /nfs/dbraw/zinc/40/70/26/1135407026.db2.gz DGLXBIRXRUGFCJ-LEWJYISDSA-N 1 1 338.426 3.828 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001195497760 1135434278 /nfs/dbraw/zinc/43/42/78/1135434278.db2.gz KZZXSFNPVIFBHY-VKJFTORMSA-N 1 1 328.456 3.919 20 30 EHEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1sccc1-c1ccccc1 ZINC001195722695 1135460181 /nfs/dbraw/zinc/46/01/81/1135460181.db2.gz HXSODUFTAUGWDN-INIZCTEOSA-N 1 1 326.465 3.795 20 30 EHEDMO C[N@H+]1CCN(Cc2cc(Cl)cc(C#N)c2)[C@@H](Cc2ccccc2)C1 ZINC001195797655 1135471755 /nfs/dbraw/zinc/47/17/55/1135471755.db2.gz KCRLTCGLZUOKCM-FQEVSTJZSA-N 1 1 339.870 3.570 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC001195893825 1135481635 /nfs/dbraw/zinc/48/16/35/1135481635.db2.gz QHQWJYCWPFLWND-OALUTQOASA-N 1 1 326.440 3.675 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001195893825 1135481638 /nfs/dbraw/zinc/48/16/38/1135481638.db2.gz QHQWJYCWPFLWND-OALUTQOASA-N 1 1 326.440 3.675 20 30 EHEDMO COc1ccc([C@@H]([NH2+]Cc2cc(C#N)ccn2)c2ccccc2)cc1 ZINC001196020413 1135507097 /nfs/dbraw/zinc/50/70/97/1135507097.db2.gz BTYILANEGKNQBL-NRFANRHFSA-N 1 1 329.403 3.841 20 30 EHEDMO C#CC[NH+]1CCC(c2nc([C@H]3CCSc4ccccc43)no2)CC1 ZINC000867148721 1135508408 /nfs/dbraw/zinc/50/84/08/1135508408.db2.gz TZLQSSPGDOYWHA-INIZCTEOSA-N 1 1 339.464 3.510 20 30 EHEDMO CCN(C(=O)C#Cc1ccccc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000747367335 1135512196 /nfs/dbraw/zinc/51/21/96/1135512196.db2.gz CDLTXCUCBMSVSA-DENIHFKCSA-N 1 1 346.474 3.722 20 30 EHEDMO C[C@H]1[C@H](N(C)C)CC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC001196095635 1135516749 /nfs/dbraw/zinc/51/67/49/1135516749.db2.gz YYSIBXYRFZKVMZ-SIKLNZKXSA-N 1 1 347.506 3.911 20 30 EHEDMO C[C@H]1[C@H](N(C)C)CC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC001196095635 1135516752 /nfs/dbraw/zinc/51/67/52/1135516752.db2.gz YYSIBXYRFZKVMZ-SIKLNZKXSA-N 1 1 347.506 3.911 20 30 EHEDMO CC[C@@H]1CC[C@@H](C)[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC001196176067 1135528421 /nfs/dbraw/zinc/52/84/21/1135528421.db2.gz PDEXTKLZKIUEMN-ZIAGYGMSSA-N 1 1 345.512 3.948 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1nccnc1C1CCC1 ZINC000807993020 1135601311 /nfs/dbraw/zinc/60/13/11/1135601311.db2.gz QVQJKECKICZYEU-HNNXBMFYSA-N 1 1 335.455 3.664 20 30 EHEDMO C[C@@H]1[C@H](Nc2snc(Cl)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000808119919 1135619539 /nfs/dbraw/zinc/61/95/39/1135619539.db2.gz WVIPYHRDCSYATD-BXUZGUMPSA-N 1 1 332.860 3.743 20 30 EHEDMO C=CCn1c(C)nn(C[N@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)c1=S ZINC000747468721 1135637414 /nfs/dbraw/zinc/63/74/14/1135637414.db2.gz VFGKGIGAIKYUSQ-MAUKXSAKSA-N 1 1 342.512 3.819 20 30 EHEDMO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)c1=S ZINC000747468721 1135637416 /nfs/dbraw/zinc/63/74/16/1135637416.db2.gz VFGKGIGAIKYUSQ-MAUKXSAKSA-N 1 1 342.512 3.819 20 30 EHEDMO CC(C)n1cc(C[NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)nn1 ZINC000808390972 1135661712 /nfs/dbraw/zinc/66/17/12/1135661712.db2.gz GSULHQITZAQPDH-UHFFFAOYSA-N 1 1 337.452 3.749 20 30 EHEDMO C#C[C@H]([NH2+]Cc1cc2ccc(SC)cc2nc1Cl)[C@H]1CCCO1 ZINC000775807683 1135762403 /nfs/dbraw/zinc/76/24/03/1135762403.db2.gz URFWDYUBAFKFEG-DOTOQJQBSA-N 1 1 346.883 3.881 20 30 EHEDMO CC(C)c1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC001198844439 1135859984 /nfs/dbraw/zinc/85/99/84/1135859984.db2.gz LSPBLCOGYPIJHR-IERDGZPVSA-N 1 1 341.499 3.611 20 30 EHEDMO CC(C)c1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC001198844439 1135859986 /nfs/dbraw/zinc/85/99/86/1135859986.db2.gz LSPBLCOGYPIJHR-IERDGZPVSA-N 1 1 341.499 3.611 20 30 EHEDMO C#C[C@H]([NH2+]Cc1csc(COc2ccc(OC)cc2)n1)C(C)(C)C ZINC000809781506 1135890196 /nfs/dbraw/zinc/89/01/96/1135890196.db2.gz TXKJVSPDORGTQK-KRWDZBQOSA-N 1 1 344.480 3.868 20 30 EHEDMO CC(C)(O)C[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000776032459 1135936466 /nfs/dbraw/zinc/93/64/66/1135936466.db2.gz FDMKAHAQHVZTRD-UHFFFAOYSA-N 1 1 338.451 3.600 20 30 EHEDMO C=CCc1cc(OC)ccc1OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810526006 1135970080 /nfs/dbraw/zinc/97/00/80/1135970080.db2.gz CRFIIQGWQWNUMR-LJQANCHMSA-N 1 1 335.419 3.542 20 30 EHEDMO C=CCOC(=O)N1CCC2(CCC[N@@H+](C[C@@H]3CC=CCC3)C2)CC1 ZINC001201406684 1136013334 /nfs/dbraw/zinc/01/33/34/1136013334.db2.gz FONNTRWQIUVTOJ-GOSISDBHSA-N 1 1 332.488 3.843 20 30 EHEDMO CCCCCCCCN1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001201813570 1136065012 /nfs/dbraw/zinc/06/50/12/1136065012.db2.gz GMDSATZVOHTMBR-LEWJYISDSA-N 1 1 345.531 3.717 20 30 EHEDMO CCCCCCCC[N@@H+]1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001201813570 1136065015 /nfs/dbraw/zinc/06/50/15/1136065015.db2.gz GMDSATZVOHTMBR-LEWJYISDSA-N 1 1 345.531 3.717 20 30 EHEDMO CCCCCCCC[N@H+]1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001201813570 1136065019 /nfs/dbraw/zinc/06/50/19/1136065019.db2.gz GMDSATZVOHTMBR-LEWJYISDSA-N 1 1 345.531 3.717 20 30 EHEDMO CCCCCCCC[N@@H+]1CCc2onc(C(=O)N(C)C(C)C)c2C1 ZINC001201814978 1136065053 /nfs/dbraw/zinc/06/50/53/1136065053.db2.gz VGAZMSQKPZFKJC-UHFFFAOYSA-N 1 1 335.492 3.874 20 30 EHEDMO CCCCCCCC[N@H+]1CCc2onc(C(=O)N(C)C(C)C)c2C1 ZINC001201814978 1136065057 /nfs/dbraw/zinc/06/50/57/1136065057.db2.gz VGAZMSQKPZFKJC-UHFFFAOYSA-N 1 1 335.492 3.874 20 30 EHEDMO CCCCCCCCCC[N@@H+]1[C@H]2COC[C@@H]1C[C@H](C(=O)OC)C2 ZINC001201874985 1136072237 /nfs/dbraw/zinc/07/22/37/1136072237.db2.gz NDASREWVPHMONI-NNZMDNLPSA-N 1 1 325.493 3.780 20 30 EHEDMO CCCCCCCCCC[N@H+]1[C@H]2COC[C@@H]1C[C@H](C(=O)OC)C2 ZINC001201874985 1136072240 /nfs/dbraw/zinc/07/22/40/1136072240.db2.gz NDASREWVPHMONI-NNZMDNLPSA-N 1 1 325.493 3.780 20 30 EHEDMO C#Cc1ccccc1CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000811481772 1136091564 /nfs/dbraw/zinc/09/15/64/1136091564.db2.gz MEIHPJBVXJSKBP-UHFFFAOYSA-N 1 1 326.827 3.564 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1ccc(Cl)cc1 ZINC000811516300 1136104527 /nfs/dbraw/zinc/10/45/27/1136104527.db2.gz JLUQXAPJXNXMKD-OAHLLOKOSA-N 1 1 342.851 3.718 20 30 EHEDMO C[C@@H]1C(N=Nc2ncnc3sccc32)CC[N@H+]1Cc1ccccc1 ZINC000811635879 1136114676 /nfs/dbraw/zinc/11/46/76/1136114676.db2.gz PCKYAAFWMRKXGY-CYBMUJFWSA-N 1 1 337.452 3.754 20 30 EHEDMO C=CCC1([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCCCC1 ZINC001202407606 1136137464 /nfs/dbraw/zinc/13/74/64/1136137464.db2.gz JVFCVSYKTOYJQR-UHFFFAOYSA-N 1 1 327.516 3.807 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1O ZINC000811792651 1136141278 /nfs/dbraw/zinc/14/12/78/1136141278.db2.gz QKQNVABGQRZDJV-UYAOXDASSA-N 1 1 343.467 3.663 20 30 EHEDMO N#C[C@H](OC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000776386973 1136173149 /nfs/dbraw/zinc/17/31/49/1136173149.db2.gz XVHDAOYXXSPSDK-UXHICEINSA-N 1 1 340.467 3.914 20 30 EHEDMO CCc1nc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)cs1 ZINC000107715682 1136176461 /nfs/dbraw/zinc/17/64/61/1136176461.db2.gz WHQARVSSMIIDCG-UHFFFAOYSA-N 1 1 345.468 3.686 20 30 EHEDMO C=CCCO[C@H](C)C(=O)OC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000747771673 1136182251 /nfs/dbraw/zinc/18/22/51/1136182251.db2.gz DNHLVTRJTHJAHM-XLIONFOSSA-N 1 1 331.456 3.566 20 30 EHEDMO N#CCCN1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000338926553 1136186156 /nfs/dbraw/zinc/18/61/56/1136186156.db2.gz PLXWKYCAXCOLGB-FQEVSTJZSA-N 1 1 339.870 3.961 20 30 EHEDMO CC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000338930438 1136307048 /nfs/dbraw/zinc/30/70/48/1136307048.db2.gz YGGJJICIXUSWLM-CYBMUJFWSA-N 1 1 325.368 3.755 20 30 EHEDMO C#C[C@H]1CCCC[C@@H]1OC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000851535823 1136388424 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20 30 EHEDMO COc1cccc([C@]2(C)CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)c1 ZINC000852536428 1136463384 /nfs/dbraw/zinc/46/33/84/1136463384.db2.gz SYFOVFAVTPFRIX-OAQYLSRUSA-N 1 1 336.435 3.761 20 30 EHEDMO C[C@H](COc1ccccc1)N[NH+]=C1CC(C)(C)Oc2ccc(N)cc21 ZINC000814935260 1136526902 /nfs/dbraw/zinc/52/69/02/1136526902.db2.gz JWEITPNNPQGJFP-CQSZACIVSA-N 1 1 339.439 3.591 20 30 EHEDMO C#Cc1cccnc1N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000853449329 1136533298 /nfs/dbraw/zinc/53/32/98/1136533298.db2.gz QEJXFOSPXALDCP-SFTDATJTSA-N 1 1 331.463 3.554 20 30 EHEDMO Cc1cc(C(F)(F)F)cc(N2CCO[C@@H](c3cccc(C#N)c3)C2)[nH+]1 ZINC000853460506 1136534606 /nfs/dbraw/zinc/53/46/06/1136534606.db2.gz LNBVHJJUXVNZNA-MRXNPFEDSA-N 1 1 347.340 3.858 20 30 EHEDMO C=CCOCC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(C)c1 ZINC000815062449 1136545707 /nfs/dbraw/zinc/54/57/07/1136545707.db2.gz URVBACYPNCOHJF-NRFANRHFSA-N 1 1 325.452 3.733 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CN1Cc2cc(C(F)(F)F)ccc2C1=O ZINC000853597573 1136547594 /nfs/dbraw/zinc/54/75/94/1136547594.db2.gz BUZZRANASACPFW-GASCZTMLSA-N 1 1 336.357 3.802 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1Cc2cc(C(F)(F)F)ccc2C1=O ZINC000853597573 1136547597 /nfs/dbraw/zinc/54/75/97/1136547597.db2.gz BUZZRANASACPFW-GASCZTMLSA-N 1 1 336.357 3.802 20 30 EHEDMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000217665946 1136637548 /nfs/dbraw/zinc/63/75/48/1136637548.db2.gz ZQBMOJFKKNVWST-CQSZACIVSA-N 1 1 345.512 3.971 20 30 EHEDMO C=CCC(F)(F)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000815888629 1136647927 /nfs/dbraw/zinc/64/79/27/1136647927.db2.gz TXBLSFFAJSSJEQ-UHFFFAOYSA-N 1 1 348.437 3.713 20 30 EHEDMO C[C@@H]1[C@@H](OC(=O)c2cc(C#N)cs2)CCC[N@H+]1Cc1ccccc1 ZINC000816470246 1136720085 /nfs/dbraw/zinc/72/00/85/1136720085.db2.gz KLFUESKMJSQPAN-PBHICJAKSA-N 1 1 340.448 3.830 20 30 EHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000218683406 1136855945 /nfs/dbraw/zinc/85/59/45/1136855945.db2.gz IRILNRMVYMHIDX-ZDUSSCGKSA-N 1 1 326.843 3.724 20 30 EHEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023464 1136933272 /nfs/dbraw/zinc/93/32/72/1136933272.db2.gz NSTCMWMTPCLYKO-NRFANRHFSA-N 1 1 332.447 3.854 20 30 EHEDMO C=CCCn1cc(C[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)nn1 ZINC000858295043 1136955809 /nfs/dbraw/zinc/95/58/09/1136955809.db2.gz SWDDLRDTGPCVBF-UHFFFAOYSA-N 1 1 335.455 3.552 20 30 EHEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(C)(C)c2ccc(C#N)cc2)c1 ZINC000858718105 1136988514 /nfs/dbraw/zinc/98/85/14/1136988514.db2.gz ZKJOZLGPSZDXNJ-UHFFFAOYSA-N 1 1 349.478 3.604 20 30 EHEDMO C=CC[C@H]1CC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000859446161 1137015290 /nfs/dbraw/zinc/01/52/90/1137015290.db2.gz VPAYZZOLBYNYAB-XHDPSFHLSA-N 1 1 328.225 3.520 20 30 EHEDMO C=C[C@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001136404978 1137015702 /nfs/dbraw/zinc/01/57/02/1137015702.db2.gz JVFOODVESKIIJR-SCTDSRPQSA-N 1 1 328.500 3.829 20 30 EHEDMO C=CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000859603588 1137022130 /nfs/dbraw/zinc/02/21/30/1137022130.db2.gz APNHDGXQTGYDIS-CHWSQXEVSA-N 1 1 336.398 3.588 20 30 EHEDMO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@@H+](CCC(C)(C)C#N)C[C@]2(C)C1 ZINC000860034045 1137041598 /nfs/dbraw/zinc/04/15/98/1137041598.db2.gz FFCVJPXKLYTNPA-KDURUIRLSA-N 1 1 335.492 3.505 20 30 EHEDMO C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000860424116 1137059617 /nfs/dbraw/zinc/05/96/17/1137059617.db2.gz AVSMQUQRPFBQHP-WOJBJXKFSA-N 1 1 348.450 3.558 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000823616805 1137106763 /nfs/dbraw/zinc/10/67/63/1137106763.db2.gz BYZLHEYMSTUBOO-UTKZUKDTSA-N 1 1 347.462 3.742 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000266034693 1137134657 /nfs/dbraw/zinc/13/46/57/1137134657.db2.gz UBHHDNAZCBKENY-FOIQADDNSA-N 1 1 340.398 3.690 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000266034693 1137134659 /nfs/dbraw/zinc/13/46/59/1137134659.db2.gz UBHHDNAZCBKENY-FOIQADDNSA-N 1 1 340.398 3.690 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[N@H+](CC(C)(C)CCC#N)C[C@@](C)(F)C1 ZINC000824510593 1137142322 /nfs/dbraw/zinc/14/23/22/1137142322.db2.gz XFJQICSWWHNJPJ-GOSISDBHSA-N 1 1 341.471 3.597 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[N@@H+](CC(C)(C)CCC#N)C[C@@](C)(F)C1 ZINC000824510593 1137142323 /nfs/dbraw/zinc/14/23/23/1137142323.db2.gz XFJQICSWWHNJPJ-GOSISDBHSA-N 1 1 341.471 3.597 20 30 EHEDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000862465987 1137145608 /nfs/dbraw/zinc/14/56/08/1137145608.db2.gz ATEBWNCSUKQUCW-UHFFFAOYSA-N 1 1 343.471 3.588 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000862542566 1137149057 /nfs/dbraw/zinc/14/90/57/1137149057.db2.gz TWGWIXAABBKCLI-UHFFFAOYSA-N 1 1 344.462 3.661 20 30 EHEDMO CC(C)(C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1(C)C ZINC001171070584 1137155682 /nfs/dbraw/zinc/15/56/82/1137155682.db2.gz ZAENDOYOLCFVJE-QZTJIDSGSA-N 1 1 344.499 3.835 20 30 EHEDMO CCCCn1nc(C)c(C[NH2+]Cc2ccc(C#N)c(F)c2)c1Cl ZINC000825225870 1137169447 /nfs/dbraw/zinc/16/94/47/1137169447.db2.gz AXSRIKKKZMUCJJ-UHFFFAOYSA-N 1 1 334.826 3.946 20 30 EHEDMO C=CC[NH+]1CCN([C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171081759 1137173415 /nfs/dbraw/zinc/17/34/15/1137173415.db2.gz FJYWVIPQOSTKGK-HNNXBMFYSA-N 1 1 325.283 3.654 20 30 EHEDMO FC(F)(F)CCNN=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000794551503 1137199923 /nfs/dbraw/zinc/19/99/23/1137199923.db2.gz CJPKYISOBVYGKV-HZPDHXFCSA-N 1 1 339.405 3.817 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)CCO[C@@H](CC)c2ccccc2)n1 ZINC000844323635 1137212651 /nfs/dbraw/zinc/21/26/51/1137212651.db2.gz HJOAVZIWRZLWOI-FQEVSTJZSA-N 1 1 325.456 3.506 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)CCO[C@@H](CC)c2ccccc2)n1 ZINC000844323635 1137212653 /nfs/dbraw/zinc/21/26/53/1137212653.db2.gz HJOAVZIWRZLWOI-FQEVSTJZSA-N 1 1 325.456 3.506 20 30 EHEDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370256 1137212828 /nfs/dbraw/zinc/21/28/28/1137212828.db2.gz GKPZOLWYBLBRNF-KUHUBIRLSA-N 1 1 339.395 3.501 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@@H+](CCCC(C)(C)C#N)C2 ZINC000844358788 1137215351 /nfs/dbraw/zinc/21/53/51/1137215351.db2.gz FEXSOPGMVUMBJN-JXFKEZNVSA-N 1 1 349.519 3.943 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c(OC(F)F)c1 ZINC000844437403 1137223272 /nfs/dbraw/zinc/22/32/72/1137223272.db2.gz JYLOYUDEMRUAJT-OAHLLOKOSA-N 1 1 328.309 3.781 20 30 EHEDMO C=CC[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001144019061 1137229275 /nfs/dbraw/zinc/22/92/75/1137229275.db2.gz AGPWHOFCHPHLKG-YSIASYRMSA-N 1 1 326.484 3.569 20 30 EHEDMO C#Cc1ccc(C[N@@H+](CC)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001144578780 1137310611 /nfs/dbraw/zinc/31/06/11/1137310611.db2.gz PDZOGZYNRJENNO-LJQANCHMSA-N 1 1 342.483 3.747 20 30 EHEDMO C#Cc1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001144578365 1137310676 /nfs/dbraw/zinc/31/06/76/1137310676.db2.gz BUXNDXUDAQNNLD-DHIUTWEWSA-N 1 1 330.475 3.622 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCO[C@]3(CCCN(c4ccccc4)C3)C2)cc1 ZINC001144569283 1137311365 /nfs/dbraw/zinc/31/13/65/1137311365.db2.gz NEDGDBRLUHVKTG-HSZRJFAPSA-N 1 1 346.474 3.539 20 30 EHEDMO C#Cc1ccc(C[N@H+]2CCO[C@]3(CCCN(c4ccccc4)C3)C2)cc1 ZINC001144569283 1137311367 /nfs/dbraw/zinc/31/13/67/1137311367.db2.gz NEDGDBRLUHVKTG-HSZRJFAPSA-N 1 1 346.474 3.539 20 30 EHEDMO C[N@@H+](CCc1ccc(F)cc1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC000846008666 1137325218 /nfs/dbraw/zinc/32/52/18/1137325218.db2.gz WUZNOIKCIXYLET-SFHVURJKSA-N 1 1 332.806 3.559 20 30 EHEDMO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866218760 1137335823 /nfs/dbraw/zinc/33/58/23/1137335823.db2.gz XJZYKHKQXWPSKZ-QWHCGFSZSA-N 1 1 326.396 3.693 20 30 EHEDMO C[C@@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1cccc(C#N)c1O ZINC000866312828 1137344854 /nfs/dbraw/zinc/34/48/54/1137344854.db2.gz QUAOHIBEANGCHN-CYBMUJFWSA-N 1 1 325.412 3.687 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001171221206 1137346863 /nfs/dbraw/zinc/34/68/63/1137346863.db2.gz IWJYQMXAGZRPLI-MAUKXSAKSA-N 1 1 328.456 3.543 20 30 EHEDMO Cc1noc(C[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)c2ccccc2)n1 ZINC000866346495 1137347725 /nfs/dbraw/zinc/34/77/25/1137347725.db2.gz AFSKZSGDOCYLSA-UGSOOPFHSA-N 1 1 348.406 3.590 20 30 EHEDMO CC(C)c1noc([C@@H]2CCC[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)n1 ZINC001171222916 1137347769 /nfs/dbraw/zinc/34/77/69/1137347769.db2.gz JKCRJKVBYRMWDI-MAUKXSAKSA-N 1 1 338.455 3.875 20 30 EHEDMO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc(Br)cn1 ZINC000866352256 1137348376 /nfs/dbraw/zinc/34/83/76/1137348376.db2.gz WFPOOCWLOQTDBQ-QWRGUYRKSA-N 1 1 346.228 3.833 20 30 EHEDMO COC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1cccc(Cl)c1 ZINC000866358852 1137349212 /nfs/dbraw/zinc/34/92/12/1137349212.db2.gz LAYUINXAKGDSSK-SJCJKPOMSA-N 1 1 330.815 3.956 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001171228476 1137353395 /nfs/dbraw/zinc/35/33/95/1137353395.db2.gz GSRFXUAHAZMHBM-QAPCUYQASA-N 1 1 328.456 3.543 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001171230371 1137355809 /nfs/dbraw/zinc/35/58/09/1137355809.db2.gz VAHWUVLFDDJFKU-OALUTQOASA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001171230371 1137355812 /nfs/dbraw/zinc/35/58/12/1137355812.db2.gz VAHWUVLFDDJFKU-OALUTQOASA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001171232511 1137357727 /nfs/dbraw/zinc/35/77/27/1137357727.db2.gz SWHYQOYVLIISFI-JTSKRJEESA-N 1 1 345.446 3.904 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](O)[C@H]2CCc2ccccc2)s1 ZINC000847008203 1137382366 /nfs/dbraw/zinc/38/23/66/1137382366.db2.gz DXGDHOGFZHUOCR-MOPGFXCFSA-N 1 1 326.465 3.578 20 30 EHEDMO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000847023547 1137383220 /nfs/dbraw/zinc/38/32/20/1137383220.db2.gz DNDOLSJTKRGCGM-ZIAGYGMSSA-N 1 1 329.831 3.720 20 30 EHEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000847023547 1137383222 /nfs/dbraw/zinc/38/32/22/1137383222.db2.gz DNDOLSJTKRGCGM-ZIAGYGMSSA-N 1 1 329.831 3.720 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCCC2(CCC2)C1 ZINC000348193143 1137449011 /nfs/dbraw/zinc/44/90/11/1137449011.db2.gz LCXGEAITNHGKOO-ZDUSSCGKSA-N 1 1 343.496 3.702 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCCC2(CCC2)C1 ZINC000348193143 1137449012 /nfs/dbraw/zinc/44/90/12/1137449012.db2.gz LCXGEAITNHGKOO-ZDUSSCGKSA-N 1 1 343.496 3.702 20 30 EHEDMO CC(C)c1nccnc1N=NC1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000773077465 1137463495 /nfs/dbraw/zinc/46/34/95/1137463495.db2.gz GFVVAUSBYXVLQJ-INIZCTEOSA-N 1 1 337.471 3.910 20 30 EHEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC001171490917 1137491562 /nfs/dbraw/zinc/49/15/62/1137491562.db2.gz QYCMPAXXAXJTEN-CYBMUJFWSA-N 1 1 349.265 3.809 20 30 EHEDMO C#CC[C@@H]1CCC[N@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC001171490917 1137491564 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EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001172319103 1137546733 /nfs/dbraw/zinc/54/67/33/1137546733.db2.gz KZXIUSIECAXFPK-XXBNENTESA-N 1 1 347.506 3.943 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001172319103 1137546734 /nfs/dbraw/zinc/54/67/34/1137546734.db2.gz KZXIUSIECAXFPK-XXBNENTESA-N 1 1 347.506 3.943 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H](C)CCO[C@@H](C)CC)CC2 ZINC001172328201 1137550323 /nfs/dbraw/zinc/55/03/23/1137550323.db2.gz DITZUZZVBUKYGE-BJLQDIEVSA-N 1 1 336.520 3.613 20 30 EHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(OC(C)C)c(OC)c2)no1 ZINC000872172490 1137575265 /nfs/dbraw/zinc/57/52/65/1137575265.db2.gz IHITYVLKHFYHEE-LBPRGKRZSA-N 1 1 337.807 3.675 20 30 EHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000876976325 1137666836 /nfs/dbraw/zinc/66/68/36/1137666836.db2.gz ONMSJJYONRGMGS-DLBZAZTESA-N 1 1 327.815 3.617 20 30 EHEDMO COCCCCc1ccc[nH+]c1NCc1cc(C#N)cnc1Cl ZINC000877543780 1137680614 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325.412 3.530 20 30 EHEDMO C[C@H](CC1(C#N)CCOCC1)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000602546060 1032956665 /nfs/dbraw/zinc/95/66/65/1032956665.db2.gz OFRIAYGUAVXSRT-MSOLQXFVSA-N 1 1 343.515 3.804 20 30 EHEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000276400530 1021186883 /nfs/dbraw/zinc/18/68/83/1021186883.db2.gz KNOAMLYBIKACRE-GFCCVEGCSA-N 1 1 325.250 3.592 20 30 EHEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000276400545 1021187118 /nfs/dbraw/zinc/18/71/18/1021187118.db2.gz KNOAMLYBIKACRE-LBPRGKRZSA-N 1 1 325.250 3.592 20 30 EHEDMO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000602527174 1032961113 /nfs/dbraw/zinc/96/11/13/1032961113.db2.gz MFKXPJBENODATD-HNNXBMFYSA-N 1 1 325.412 3.530 20 30 EHEDMO N#Cc1cnn2cc(C[N@H+]3CCCC[C@H]3CCc3ccccc3)cnc12 ZINC000592501077 1032962771 /nfs/dbraw/zinc/96/27/71/1032962771.db2.gz LYVMYTYAWBJBNR-FQEVSTJZSA-N 1 1 345.450 3.588 20 30 EHEDMO C=CCC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000427224642 1021231839 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N#CC[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000598217764 1032993035 /nfs/dbraw/zinc/99/30/35/1032993035.db2.gz BEOREFMKZDWQKR-RTBURBONSA-N 1 1 339.483 3.597 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cccc(NS(C)(=O)=O)c1 ZINC000684411744 1021666172 /nfs/dbraw/zinc/66/61/72/1021666172.db2.gz NBGKNJDFVDIWOI-UHFFFAOYSA-N 1 1 344.480 3.636 20 30 EHEDMO CC[C@H]1C[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)[C@@H](CC)CO1 ZINC000593661899 1033000361 /nfs/dbraw/zinc/00/03/61/1033000361.db2.gz SRHDQLOGPSHZAQ-ROUUACIJSA-N 1 1 346.471 3.767 20 30 EHEDMO CC[C@H]1C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)[C@@H](CC)CO1 ZINC000593661899 1033000371 /nfs/dbraw/zinc/00/03/71/1033000371.db2.gz SRHDQLOGPSHZAQ-ROUUACIJSA-N 1 1 346.471 3.767 20 30 EHEDMO Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000519828685 1021708331 /nfs/dbraw/zinc/70/83/31/1021708331.db2.gz XSDIMMLRQRIQBY-UXHICEINSA-N 1 1 345.450 3.678 20 30 EHEDMO O[C@H]([C@@H]1CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1)C(F)(F)F ZINC000449663818 1032999205 /nfs/dbraw/zinc/99/92/05/1032999205.db2.gz ASOCPIWDCQFYJJ-BXKDBHETSA-N 1 1 345.258 3.590 20 30 EHEDMO O[C@H]([C@@H]1CC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1)C(F)(F)F ZINC000449663818 1032999223 /nfs/dbraw/zinc/99/92/23/1032999223.db2.gz ASOCPIWDCQFYJJ-BXKDBHETSA-N 1 1 345.258 3.590 20 30 EHEDMO CC(C)(C)c1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)s1 ZINC000506686043 1021729566 /nfs/dbraw/zinc/72/95/66/1021729566.db2.gz BEZROCCBJLTAJJ-UHFFFAOYSA-N 1 1 340.496 3.634 20 30 EHEDMO CCC[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729483628 1021894152 /nfs/dbraw/zinc/89/41/52/1021894152.db2.gz JHCLBOQZGFRQDH-SFHVURJKSA-N 1 1 343.471 3.780 20 30 EHEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC000437604718 1021988999 /nfs/dbraw/zinc/98/89/99/1021988999.db2.gz OJFAYGDQGBDJMC-LJQANCHMSA-N 1 1 346.434 3.661 20 30 EHEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000437604718 1021989003 /nfs/dbraw/zinc/98/90/03/1021989003.db2.gz OJFAYGDQGBDJMC-LJQANCHMSA-N 1 1 346.434 3.661 20 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20 30 EHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C1 ZINC000065028992 1022595982 /nfs/dbraw/zinc/59/59/82/1022595982.db2.gz JCCBGENZSNYFPG-DNVCBOLYSA-N 1 1 334.423 3.515 20 30 EHEDMO Cc1oc(C(C)C)cc1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330580827 1022620650 /nfs/dbraw/zinc/62/06/50/1022620650.db2.gz QESWTVSUWPCLGL-OKILXGFUSA-N 1 1 336.476 3.904 20 30 EHEDMO Cc1oc(C(C)C)cc1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330580827 1022620659 /nfs/dbraw/zinc/62/06/59/1022620659.db2.gz QESWTVSUWPCLGL-OKILXGFUSA-N 1 1 336.476 3.904 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccnn1-c1ccccc1OC ZINC000430756592 1022659784 /nfs/dbraw/zinc/65/97/84/1022659784.db2.gz SDVPHCWWBKEOLS-UHFFFAOYSA-N 1 1 337.423 3.705 20 30 EHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510592306 1022718218 /nfs/dbraw/zinc/71/82/18/1022718218.db2.gz PIKJSNVMARVNCG-IBGZPJMESA-N 1 1 341.499 3.530 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C/C=C/c3ccc(F)cc3)CC2)cc1 ZINC000506263745 1022750979 /nfs/dbraw/zinc/75/09/79/1022750979.db2.gz YEHAIHYLTJYIFM-HNQUOIGGSA-N 1 1 349.453 3.918 20 30 EHEDMO N#Cc1ccc(CN2CCC[N@@H+](C/C=C/c3ccc(F)cc3)CC2)cc1 ZINC000506263745 1022750991 /nfs/dbraw/zinc/75/09/91/1022750991.db2.gz YEHAIHYLTJYIFM-HNQUOIGGSA-N 1 1 349.453 3.918 20 30 EHEDMO N#Cc1ccc(CN2CCC[N@H+](C/C=C/c3ccc(F)cc3)CC2)cc1 ZINC000506263745 1022751002 /nfs/dbraw/zinc/75/10/02/1022751002.db2.gz YEHAIHYLTJYIFM-HNQUOIGGSA-N 1 1 349.453 3.918 20 30 EHEDMO COc1cc(C[NH2+]Cc2ccsc2Br)ccc1C#N ZINC000337847722 1022836637 /nfs/dbraw/zinc/83/66/37/1022836637.db2.gz IHKCINYHERZHJG-UHFFFAOYSA-N 1 1 337.242 3.681 20 30 EHEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(C#N)cc1Cl ZINC000426125418 1022955326 /nfs/dbraw/zinc/95/53/26/1022955326.db2.gz AOLCYGFUCGAVSD-AWEZNQCLSA-N 1 1 334.851 3.598 20 30 EHEDMO C=C(C)C[N@@H+](CC)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000684535967 1023071833 /nfs/dbraw/zinc/07/18/33/1023071833.db2.gz YQHAGWPBVXGOMD-ZDUSSCGKSA-N 1 1 344.528 3.839 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000506438023 1023141758 /nfs/dbraw/zinc/14/17/58/1023141758.db2.gz CXEJIJIQHHFCHM-MOPGFXCFSA-N 1 1 341.499 3.523 20 30 EHEDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000427024666 1023164350 /nfs/dbraw/zinc/16/43/50/1023164350.db2.gz XFVVADWFMVGQOU-AEFFLSMTSA-N 1 1 346.902 3.708 20 30 EHEDMO N#CCCCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000593975912 1033110320 /nfs/dbraw/zinc/11/03/20/1033110320.db2.gz ORNSBLCXVARCKA-SFHVURJKSA-N 1 1 347.890 3.895 20 30 EHEDMO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc([C@H](C)CC)[nH]2)cc1 ZINC000276842273 1023195719 /nfs/dbraw/zinc/19/57/19/1023195719.db2.gz CFRCYVIYAVZHIJ-ILXRZTDVSA-N 1 1 326.444 3.742 20 30 EHEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]2CCCC[C@H]21 ZINC000248414734 1023258580 /nfs/dbraw/zinc/25/85/80/1023258580.db2.gz HHFDMEJFHVARLV-ISTRZQFTSA-N 1 1 331.847 3.661 20 30 EHEDMO COCC[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccco1 ZINC000276894144 1023310543 /nfs/dbraw/zinc/31/05/43/1023310543.db2.gz KPXDGTBCKZGJBZ-OAHLLOKOSA-N 1 1 349.228 3.781 20 30 EHEDMO CC(C)(C)CN(CCC#N)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341891632 1023628655 /nfs/dbraw/zinc/62/86/55/1023628655.db2.gz OKAFJJYSHAEBDY-FQEVSTJZSA-N 1 1 343.515 3.539 20 30 EHEDMO CCOc1ccc(C#N)cc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000176171152 1023751313 /nfs/dbraw/zinc/75/13/13/1023751313.db2.gz NWCNYKDHONAIOK-INIZCTEOSA-N 1 1 341.455 3.550 20 30 EHEDMO C[NH+](C)Cc1ccc(NC(=O)CCCCC#N)cc1Br ZINC000594011602 1033160652 /nfs/dbraw/zinc/16/06/52/1033160652.db2.gz BYMCKFXIAKTMPB-UHFFFAOYSA-N 1 1 338.249 3.533 20 30 EHEDMO C=CC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cccc(C#N)c1 ZINC000063299785 1033165794 /nfs/dbraw/zinc/16/57/94/1033165794.db2.gz JWKHEWLHAQYBBX-UHFFFAOYSA-N 1 1 337.379 3.533 20 30 EHEDMO C=C(C)C[N@@H+](C)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000181318114 1023903740 /nfs/dbraw/zinc/90/37/40/1023903740.db2.gz UTVXCJKJLYMSQO-NEPJUHHUSA-N 1 1 331.485 3.678 20 30 EHEDMO C=C(C)C[N@H+](C)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000181318114 1023903746 /nfs/dbraw/zinc/90/37/46/1023903746.db2.gz UTVXCJKJLYMSQO-NEPJUHHUSA-N 1 1 331.485 3.678 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000610971777 1023917794 /nfs/dbraw/zinc/91/77/94/1023917794.db2.gz DWNHHDVOIZTRLD-GOSISDBHSA-N 1 1 347.462 3.603 20 30 EHEDMO CC(C)[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)C1CCCCC1 ZINC000610977031 1023922774 /nfs/dbraw/zinc/92/27/74/1023922774.db2.gz WVMDAJDAZPBDJD-IBGZPJMESA-N 1 1 330.472 3.535 20 30 EHEDMO N#C[C@H](c1ccccc1)N1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000487433502 1024185096 /nfs/dbraw/zinc/18/50/96/1024185096.db2.gz VMCSQHUAXWCFED-LEWJYISDSA-N 1 1 335.426 3.695 20 30 EHEDMO Cc1cc(C(F)(F)F)cc(N2CCO[C@@H](c3ccc(C#N)cc3)C2)[nH+]1 ZINC000896873749 1024186286 /nfs/dbraw/zinc/18/62/86/1024186286.db2.gz WEIFNKYXYNOZFC-MRXNPFEDSA-N 1 1 347.340 3.858 20 30 EHEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC000329772468 1024190915 /nfs/dbraw/zinc/19/09/15/1024190915.db2.gz HLWVGWFVYZVPEK-YLFCFFPRSA-N 1 1 332.492 3.821 20 30 EHEDMO Cc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000514170597 1024196296 /nfs/dbraw/zinc/19/62/96/1024196296.db2.gz SMJOWWYSSGLYIG-KRWDZBQOSA-N 1 1 339.464 3.574 20 30 EHEDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000514170597 1024196303 /nfs/dbraw/zinc/19/63/03/1024196303.db2.gz SMJOWWYSSGLYIG-KRWDZBQOSA-N 1 1 339.464 3.574 20 30 EHEDMO Cc1nc(C)c(NC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)s1 ZINC000329815556 1024205316 /nfs/dbraw/zinc/20/53/16/1024205316.db2.gz DOJVDMZYOXEEPG-BLLLJJGKSA-N 1 1 344.484 3.749 20 30 EHEDMO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000121125749 1024252223 /nfs/dbraw/zinc/25/22/23/1024252223.db2.gz VWVNLOJJGCBJDJ-HXUWFJFHSA-N 1 1 326.415 3.716 20 30 EHEDMO C[C@H](CCC1CCCCC1)NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329932974 1024253088 /nfs/dbraw/zinc/25/30/88/1024253088.db2.gz BGLRFEKHKWKCCC-WBVHZDCISA-N 1 1 332.492 3.698 20 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ZINC000346559865 1024861662 /nfs/dbraw/zinc/86/16/62/1024861662.db2.gz CMJKJUARQJXNGV-CQSZACIVSA-N 1 1 334.510 3.845 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1cccs1 ZINC000346559865 1024861670 /nfs/dbraw/zinc/86/16/70/1024861670.db2.gz CMJKJUARQJXNGV-CQSZACIVSA-N 1 1 334.510 3.845 20 30 EHEDMO C=CCCC[C@@H](C)NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000472117132 1024913534 /nfs/dbraw/zinc/91/35/34/1024913534.db2.gz FNRVCQDGVXAJIQ-RLLQIKCJSA-N 1 1 341.499 3.505 20 30 EHEDMO N#Cc1ccc2ncc(C[N@@H+]3Cc4ccccc4OC4(CCC4)C3)n2c1 ZINC000895900641 1024955890 /nfs/dbraw/zinc/95/58/90/1024955890.db2.gz DURHHKIDMHEYMT-UHFFFAOYSA-N 1 1 344.418 3.523 20 30 EHEDMO N#Cc1ccc2ncc(C[N@H+]3Cc4ccccc4OC4(CCC4)C3)n2c1 ZINC000895900641 1024955895 /nfs/dbraw/zinc/95/58/95/1024955895.db2.gz DURHHKIDMHEYMT-UHFFFAOYSA-N 1 1 344.418 3.523 20 30 EHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1coc3ccc(F)cc13)C2 ZINC001141852973 1024960401 /nfs/dbraw/zinc/96/04/01/1024960401.db2.gz XZNOWNFRKXFDEY-FXAWDEMLSA-N 1 1 345.414 3.898 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000338120104 1024967884 /nfs/dbraw/zinc/96/78/84/1024967884.db2.gz RJAVANZOHPFOJJ-FUHWJXTLSA-N 1 1 339.483 3.593 20 30 EHEDMO CC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccc(OC)cc1 ZINC000539241718 1024971941 /nfs/dbraw/zinc/97/19/41/1024971941.db2.gz HAKQCURAFPATAX-LJQANCHMSA-N 1 1 338.407 3.594 20 30 EHEDMO C=CCOc1ccc(CN[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)cc1OC ZINC000277415977 1025025783 /nfs/dbraw/zinc/02/57/83/1025025783.db2.gz MEBDNYOHIJRUOS-KBPBESRZSA-N 1 1 344.459 3.742 20 30 EHEDMO CSCc1ccc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1 ZINC000895142864 1025045353 /nfs/dbraw/zinc/04/53/53/1025045353.db2.gz VLLAGNRWIIPCIQ-IBGZPJMESA-N 1 1 326.465 3.587 20 30 EHEDMO C=CCOC(=O)[C@@H](Nc1cc[nH+]c(N2CCCCC2)c1)[C@@H](C)CC ZINC001167959969 1025225716 /nfs/dbraw/zinc/22/57/16/1025225716.db2.gz PZKCRLKQLFONSC-YJBOKZPZSA-N 1 1 331.460 3.628 20 30 EHEDMO C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@@H]2CCCC[C@@H]12 ZINC000515548573 1025341961 /nfs/dbraw/zinc/34/19/61/1025341961.db2.gz HVZSECYJNYSVEP-YZGWKJHDSA-N 1 1 339.483 3.834 20 30 EHEDMO Cc1nncn1-c1cccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000329018564 1025571333 /nfs/dbraw/zinc/57/13/33/1025571333.db2.gz LAWRVPCVBAIEMV-GOSISDBHSA-N 1 1 339.443 3.571 20 30 EHEDMO CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000329202496 1025664038 /nfs/dbraw/zinc/66/40/38/1025664038.db2.gz WAQXHLPAFCFJJS-GJYPPUQNSA-N 1 1 348.491 3.515 20 30 EHEDMO C=CC[N@@H+](Cc1cccc(C)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000521810595 1025686380 /nfs/dbraw/zinc/68/63/80/1025686380.db2.gz VNQFRIUSEAHVGG-QGZVFWFLSA-N 1 1 333.439 3.720 20 30 EHEDMO CCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]1CCc2ccccc21 ZINC000521820489 1025710050 /nfs/dbraw/zinc/71/00/50/1025710050.db2.gz BRBRPBPDLBTLKE-IBGZPJMESA-N 1 1 339.483 3.729 20 30 EHEDMO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@H](C)C1 ZINC000329337605 1025762847 /nfs/dbraw/zinc/76/28/47/1025762847.db2.gz MMXIEALCBPRJEX-WWRWRHIGSA-N 1 1 333.476 3.556 20 30 EHEDMO Cc1cccc(NC(=O)CN(C)C(=O)CC[C@@H]2CCCC[N@H+]2C)c1C ZINC000329362473 1025781433 /nfs/dbraw/zinc/78/14/33/1025781433.db2.gz IXQMTZMVMCGRHM-KRWDZBQOSA-N 1 1 345.487 3.614 20 30 EHEDMO COCC[N@@H+](CCCC1(C#N)CCOCC1)[C@H](C)c1ccccc1 ZINC000281958148 1025791072 /nfs/dbraw/zinc/79/10/72/1025791072.db2.gz KCGCJAQGJLSONL-GOSISDBHSA-N 1 1 330.472 3.797 20 30 EHEDMO CC(C)c1ncc(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)s1 ZINC000896654178 1025812462 /nfs/dbraw/zinc/81/24/62/1025812462.db2.gz KTMZYLGDUGZXTG-HNNXBMFYSA-N 1 1 341.484 3.610 20 30 EHEDMO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3cc4ccccc4[nH]3)C2)nc1 ZINC000896654750 1025816508 /nfs/dbraw/zinc/81/65/08/1025816508.db2.gz RORPSSGODOFCLV-QGZVFWFLSA-N 1 1 331.423 3.511 20 30 EHEDMO C=CCSc1ccccc1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000347289758 1025819004 /nfs/dbraw/zinc/81/90/04/1025819004.db2.gz MPBVUDVQTOKFFP-INIZCTEOSA-N 1 1 330.497 3.711 20 30 EHEDMO CCc1ccccc1NC(=O)[C@H](C)N1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000329430046 1025840628 /nfs/dbraw/zinc/84/06/28/1025840628.db2.gz IBAWCYQSPAMGOI-BBRMVZONSA-N 1 1 341.459 3.532 20 30 EHEDMO CCc1ccccc1NC(=O)[C@H](C)N1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000329430046 1025840650 /nfs/dbraw/zinc/84/06/50/1025840650.db2.gz IBAWCYQSPAMGOI-BBRMVZONSA-N 1 1 341.459 3.532 20 30 EHEDMO N#Cc1cc(F)c(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000281983658 1025848291 /nfs/dbraw/zinc/84/82/91/1025848291.db2.gz SHVDOBCEDCLYKX-AWEZNQCLSA-N 1 1 342.393 3.753 20 30 EHEDMO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CCC3(CCOCC3)[C@H]2C)sc1C ZINC000329469374 1025885043 /nfs/dbraw/zinc/88/50/43/1025885043.db2.gz XMBTUBXOBNEJOP-TZMCWYRMSA-N 1 1 337.489 3.627 20 30 EHEDMO CC1CCC(CC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000329489006 1025913279 /nfs/dbraw/zinc/91/32/79/1025913279.db2.gz YGQBMMOYKLFEGY-LBXVMSDZSA-N 1 1 344.499 3.926 20 30 EHEDMO O=C(Nc1ccc(F)cc1OCC1CC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000329494821 1025923507 /nfs/dbraw/zinc/92/35/07/1025923507.db2.gz FMUAUIWJZAZKJW-WBVHZDCISA-N 1 1 347.434 3.567 20 30 EHEDMO COC[C@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000277560984 1025980131 /nfs/dbraw/zinc/98/01/31/1025980131.db2.gz AGFOQOOMAFZGRP-IBGZPJMESA-N 1 1 334.463 3.855 20 30 EHEDMO C=CCOc1ccc(C[N@H+](C/C=C/C(=O)OCC)C(C)(C)C)cc1 ZINC001168016605 1026008979 /nfs/dbraw/zinc/00/89/79/1026008979.db2.gz CANXEMHBFXVWNH-CMDGGOBGSA-N 1 1 331.456 3.971 20 30 EHEDMO COC(=O)[C@@H](CC(C)C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000475083843 1026136981 /nfs/dbraw/zinc/13/69/81/1026136981.db2.gz BAOWYSALHRPAQF-QPIRBTGLSA-N 1 1 328.456 3.568 20 30 EHEDMO Clc1ccc(C#CC[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000451630361 1026168339 /nfs/dbraw/zinc/16/83/39/1026168339.db2.gz SZFYPIFPGLXFMZ-MOPGFXCFSA-N 1 1 329.871 3.973 20 30 EHEDMO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1CCCCC#N ZINC000152477794 1026194156 /nfs/dbraw/zinc/19/41/56/1026194156.db2.gz QDRUQUCEIIWDSW-CJNGLKHVSA-N 1 1 337.261 3.905 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000342545125 1026217021 /nfs/dbraw/zinc/21/70/21/1026217021.db2.gz QTBMJHUNMPTEPR-UHFFFAOYSA-N 1 1 349.409 3.815 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)nc1 ZINC000563363033 1026334431 /nfs/dbraw/zinc/33/44/31/1026334431.db2.gz IIGMRXOUCQXPKG-KRWDZBQOSA-N 1 1 329.856 3.973 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000186248552 1026354547 /nfs/dbraw/zinc/35/45/47/1026354547.db2.gz XDDYQTMJYMKABX-CMJOXMDJSA-N 1 1 326.465 3.797 20 30 EHEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)C1CCN(CC(F)(F)F)CC1 ZINC000452028105 1026446568 /nfs/dbraw/zinc/44/65/68/1026446568.db2.gz BQGWTAFCWDJLKU-UHFFFAOYSA-N 1 1 344.808 3.650 20 30 EHEDMO CC(C)(C#N)CCCC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000277685108 1026545434 /nfs/dbraw/zinc/54/54/34/1026545434.db2.gz KTOHYJRCHDBVSQ-RBUKOAKNSA-N 1 1 330.472 3.531 20 30 EHEDMO CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)CCC2 ZINC000342710634 1026804967 /nfs/dbraw/zinc/80/49/67/1026804967.db2.gz RYGAMRYMPSVINP-SFTDATJTSA-N 1 1 347.462 3.875 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046519172 1027008212 /nfs/dbraw/zinc/00/82/12/1027008212.db2.gz XPQMPGCXAPIEKM-CYBMUJFWSA-N 1 1 327.815 3.671 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046519172 1027008220 /nfs/dbraw/zinc/00/82/20/1027008220.db2.gz XPQMPGCXAPIEKM-CYBMUJFWSA-N 1 1 327.815 3.671 20 30 EHEDMO Cc1cc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc(C#N)n1 ZINC000342786676 1027060069 /nfs/dbraw/zinc/06/00/69/1027060069.db2.gz LQTGKYPERKHWGD-JOCHJYFZSA-N 1 1 346.478 3.754 20 30 EHEDMO C=CCOc1cccc(C[NH+]2CCN([C@H](C)c3cccnc3)CC2)c1 ZINC000126335534 1027192130 /nfs/dbraw/zinc/19/21/30/1027192130.db2.gz RLOSSHZZPNXHKI-GOSISDBHSA-N 1 1 337.467 3.525 20 30 EHEDMO C=CCOc1cccc(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000126335534 1027192140 /nfs/dbraw/zinc/19/21/40/1027192140.db2.gz RLOSSHZZPNXHKI-GOSISDBHSA-N 1 1 337.467 3.525 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000513717726 1027408393 /nfs/dbraw/zinc/40/83/93/1027408393.db2.gz RHRQKOMCQREFBW-CABCVRRESA-N 1 1 347.890 3.874 20 30 EHEDMO CC(C)COC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccco1 ZINC000273551675 1027488445 /nfs/dbraw/zinc/48/84/45/1027488445.db2.gz XKWHAFLVSGCIBE-SFHVURJKSA-N 1 1 328.412 3.685 20 30 EHEDMO C[C@@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000129650497 1027585830 /nfs/dbraw/zinc/58/58/30/1027585830.db2.gz QGFDUQSYNVZVKE-ROFGYTOFSA-N 1 1 337.511 3.853 20 30 EHEDMO C[C@@H](NC1CC(C#N)(c2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000129650497 1027585835 /nfs/dbraw/zinc/58/58/35/1027585835.db2.gz QGFDUQSYNVZVKE-ROFGYTOFSA-N 1 1 337.511 3.853 20 30 EHEDMO C[C@@H](NC1CC(C#N)(c2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000129650497 1027585843 /nfs/dbraw/zinc/58/58/43/1027585843.db2.gz QGFDUQSYNVZVKE-ROFGYTOFSA-N 1 1 337.511 3.853 20 30 EHEDMO C=C(C)[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000187767507 1027608365 /nfs/dbraw/zinc/60/83/65/1027608365.db2.gz LVUKRQLCKNFVDY-IBGZPJMESA-N 1 1 348.368 3.627 20 30 EHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(O)c(OCC)c1 ZINC000459325821 1027619059 /nfs/dbraw/zinc/61/90/59/1027619059.db2.gz MAOQEPIJYJVNEQ-UHFFFAOYSA-N 1 1 342.395 3.887 20 30 EHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(O)c(OCC)c1 ZINC000459325821 1027619069 /nfs/dbraw/zinc/61/90/69/1027619069.db2.gz MAOQEPIJYJVNEQ-UHFFFAOYSA-N 1 1 342.395 3.887 20 30 EHEDMO C[N@H+]1CCC[C@@H](CNC(=O)C2(C#N)CCCCC2)[C@@H]1c1cccs1 ZINC000130016640 1027627764 /nfs/dbraw/zinc/62/77/64/1027627764.db2.gz JFDIGFTVYSQOHQ-DOTOQJQBSA-N 1 1 345.512 3.721 20 30 EHEDMO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000186627908 1027709643 /nfs/dbraw/zinc/70/96/43/1027709643.db2.gz CQLFWJPFJDZZSI-JLTOFOAXSA-N 1 1 334.398 3.871 20 30 EHEDMO CC(C)(C)[N@H+]1CCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000533374026 1027731153 /nfs/dbraw/zinc/73/11/53/1027731153.db2.gz GVMGPIYLYQJRRC-SFHVURJKSA-N 1 1 342.487 3.547 20 30 EHEDMO C=CCCCCC[N@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000533427417 1027858993 /nfs/dbraw/zinc/85/89/93/1027858993.db2.gz QUCGBGMULYPSDQ-UHFFFAOYSA-N 1 1 331.485 3.937 20 30 EHEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000078563766 1027968330 /nfs/dbraw/zinc/96/83/30/1027968330.db2.gz HGTVABBKMVCHBO-AWEZNQCLSA-N 1 1 342.874 3.928 20 30 EHEDMO C=C(C)CCNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000455315880 1027999969 /nfs/dbraw/zinc/99/99/69/1027999969.db2.gz VABLCEWFRZLUAH-UHFFFAOYSA-N 1 1 335.879 3.524 20 30 EHEDMO C=C(C)CCNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000455315880 1027999985 /nfs/dbraw/zinc/99/99/85/1027999985.db2.gz VABLCEWFRZLUAH-UHFFFAOYSA-N 1 1 335.879 3.524 20 30 EHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000459370334 1028031012 /nfs/dbraw/zinc/03/10/12/1028031012.db2.gz IFCOHNIWDXQYOH-HNNXBMFYSA-N 1 1 339.370 3.670 20 30 EHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000459370334 1028031023 /nfs/dbraw/zinc/03/10/23/1028031023.db2.gz IFCOHNIWDXQYOH-HNNXBMFYSA-N 1 1 339.370 3.670 20 30 EHEDMO C=CC[N@@H+](CCC(=O)N1CCc2ccccc2C1)Cc1ccccc1 ZINC000444570212 1028045807 /nfs/dbraw/zinc/04/58/07/1028045807.db2.gz HHXRUKATUAJWPB-UHFFFAOYSA-N 1 1 334.463 3.650 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421059507 1028065112 /nfs/dbraw/zinc/06/51/12/1028065112.db2.gz KHMADCQUAPBDFU-HUUCEWRRSA-N 1 1 346.500 3.639 20 30 EHEDMO N#CCC[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422994257 1028101011 /nfs/dbraw/zinc/10/10/11/1028101011.db2.gz HFDSVWUDQICEDV-TUNNFDKTSA-N 1 1 347.462 3.877 20 30 EHEDMO C[C@H]1OCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@H]1C ZINC000444655385 1028120571 /nfs/dbraw/zinc/12/05/71/1028120571.db2.gz UPXUKJFAXYYJPN-RBUKOAKNSA-N 1 1 334.463 3.996 20 30 EHEDMO C[C@H]1OCC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@H]1C ZINC000444655385 1028120587 /nfs/dbraw/zinc/12/05/87/1028120587.db2.gz UPXUKJFAXYYJPN-RBUKOAKNSA-N 1 1 334.463 3.996 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCCc2ccccc2)c(C#N)c1C ZINC000052802826 1028131653 /nfs/dbraw/zinc/13/16/53/1028131653.db2.gz SIQWWGKLMAOKIP-OAHLLOKOSA-N 1 1 339.439 3.660 20 30 EHEDMO N#Cc1ccccc1CNc1c[nH+]c2c(Br)cccn12 ZINC001167634263 1028149423 /nfs/dbraw/zinc/14/94/23/1028149423.db2.gz SXEJTMAOUHSHTJ-UHFFFAOYSA-N 1 1 327.185 3.581 20 30 EHEDMO C[N@@H+](CCNC(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CCCCC1 ZINC000502389853 1028169821 /nfs/dbraw/zinc/16/98/21/1028169821.db2.gz ZIEDJNHEOICFHE-UHFFFAOYSA-N 1 1 342.487 3.874 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1cc(Cl)ccc1F ZINC000444718159 1028209518 /nfs/dbraw/zinc/20/95/18/1028209518.db2.gz USQDKZZTBYCRDV-UHFFFAOYSA-N 1 1 345.805 3.811 20 30 EHEDMO C=CC[C@H]1[N@@H+](Cc2cc(=O)n3c(C)csc3n2)CCCC1(C)C ZINC000444775230 1028264811 /nfs/dbraw/zinc/26/48/11/1028264811.db2.gz MFIDMUFJTRRUFQ-OAHLLOKOSA-N 1 1 331.485 3.631 20 30 EHEDMO C=C(CC)CNC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455520266 1028323160 /nfs/dbraw/zinc/32/31/60/1028323160.db2.gz IWFCWGWAKQLZFR-IBGZPJMESA-N 1 1 329.488 3.506 20 30 EHEDMO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CCC(C#N)CC1 ZINC000057877163 1028374774 /nfs/dbraw/zinc/37/47/74/1028374774.db2.gz KXTXRXPFBMEMTP-JKSUJKDBSA-N 1 1 335.451 3.641 20 30 EHEDMO N#Cc1cccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000366965606 1028464466 /nfs/dbraw/zinc/46/44/66/1028464466.db2.gz GPEZCPQHNVISBT-NUNAXRQHSA-N 1 1 345.490 3.886 20 30 EHEDMO C=C(CC)CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000455566472 1028501059 /nfs/dbraw/zinc/50/10/59/1028501059.db2.gz XVECVVARNYEDRP-UHFFFAOYSA-N 1 1 335.879 3.524 20 30 EHEDMO C=C(CC)CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000455566472 1028501067 /nfs/dbraw/zinc/50/10/67/1028501067.db2.gz XVECVVARNYEDRP-UHFFFAOYSA-N 1 1 335.879 3.524 20 30 EHEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2ncccc2C)no1 ZINC001211975882 1028726344 /nfs/dbraw/zinc/72/63/44/1028726344.db2.gz SAGPSHXJZZCVOQ-CVEARBPZSA-N 1 1 344.459 3.518 20 30 EHEDMO COc1ccc(NC(=O)[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2ccccc2)cc1 ZINC000424119716 1028817584 /nfs/dbraw/zinc/81/75/84/1028817584.db2.gz GDMQUBIJVCVDLZ-QKYXUNIQSA-N 1 1 349.434 3.657 20 30 EHEDMO N#Cc1ccc(CN2CCC([NH2+][C@H]3C[C@]3(F)c3ccccc3)CC2)cc1 ZINC000424181903 1028853739 /nfs/dbraw/zinc/85/37/39/1028853739.db2.gz DZEYSOJBFRHZIS-VXKWHMMOSA-N 1 1 349.453 3.750 20 30 EHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cccc(C#N)c3)cc2)C1 ZINC000343061941 1028882917 /nfs/dbraw/zinc/88/29/17/1028882917.db2.gz DWFZHHRRGNCNFO-KRWDZBQOSA-N 1 1 347.462 3.720 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C1CCC1 ZINC000532976846 1029131014 /nfs/dbraw/zinc/13/10/14/1029131014.db2.gz NHEHQCUOIFVQHO-AWEZNQCLSA-N 1 1 331.485 3.894 20 30 EHEDMO CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(CCC#N)CC1 ZINC000583202419 1029215264 /nfs/dbraw/zinc/21/52/64/1029215264.db2.gz WJSMCOZSVNTFFT-UHFFFAOYSA-N 1 1 327.472 3.766 20 30 EHEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000615038344 1029305693 /nfs/dbraw/zinc/30/56/93/1029305693.db2.gz OAGILORSXLCMOT-OAQYLSRUSA-N 1 1 340.442 3.929 20 30 EHEDMO C[N@H+]1CCC[C@@H](CNCc2ccc(C#N)cc2F)[C@H]1c1cccs1 ZINC000533309055 1029611816 /nfs/dbraw/zinc/61/18/16/1029611816.db2.gz UWDKSERIWSDXOT-LPHOPBHVSA-N 1 1 343.471 3.932 20 30 EHEDMO CN1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)[C@H]1c1cccs1 ZINC000533309055 1029611823 /nfs/dbraw/zinc/61/18/23/1029611823.db2.gz UWDKSERIWSDXOT-LPHOPBHVSA-N 1 1 343.471 3.932 20 30 EHEDMO N#Cc1cc(Br)ccc1NCC[NH+]1Cc2ccccc2C1 ZINC000611921961 1029709563 /nfs/dbraw/zinc/70/95/63/1029709563.db2.gz UJSZSGSRSQDMOO-UHFFFAOYSA-N 1 1 342.240 3.748 20 30 EHEDMO Fc1ccc(C#CC[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000446836372 1029817401 /nfs/dbraw/zinc/81/74/01/1029817401.db2.gz UEJCCZFOYSIOOX-LJQANCHMSA-N 1 1 337.394 3.786 20 30 EHEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000446836372 1029817405 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/nfs/dbraw/zinc/18/24/52/1037182452.db2.gz GKSUSICLJMRQCA-UHFFFAOYSA-N 1 1 341.842 3.593 20 30 EHEDMO CC[C@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000104221069 1037246545 /nfs/dbraw/zinc/24/65/45/1037246545.db2.gz ZQRASTWUMKFONL-HXUWFJFHSA-N 1 1 341.499 3.665 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000057950528 1037269391 /nfs/dbraw/zinc/26/93/91/1037269391.db2.gz FZBBMVBLJQRUAE-HNNXBMFYSA-N 1 1 337.872 3.829 20 30 EHEDMO COc1ccc(C[N@H+]2CC[C@H](C3CCC3)C2)cc1OCCCC#N ZINC000591267759 1037312490 /nfs/dbraw/zinc/31/24/90/1037312490.db2.gz LTMQIZRKPQRCSE-SFHVURJKSA-N 1 1 328.456 4.000 20 30 EHEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)C2)c(C#N)c1C ZINC000177081988 1037357412 /nfs/dbraw/zinc/35/74/12/1037357412.db2.gz RDEJCLKLRLFZDL-INIZCTEOSA-N 1 1 339.464 3.665 20 30 EHEDMO Cc1sc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)C2)c(C#N)c1C ZINC000177081988 1037357419 /nfs/dbraw/zinc/35/74/19/1037357419.db2.gz RDEJCLKLRLFZDL-INIZCTEOSA-N 1 1 339.464 3.665 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1cccc(C#N)c1F ZINC000352881173 1037468757 /nfs/dbraw/zinc/46/87/57/1037468757.db2.gz DEHPEXPETPTMQQ-QGZVFWFLSA-N 1 1 337.442 3.794 20 30 EHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](N3CCCC3)C2)cc1 ZINC000532544269 1037572601 /nfs/dbraw/zinc/57/26/01/1037572601.db2.gz DHAOGSPQMNCCPC-NRFANRHFSA-N 1 1 331.463 3.895 20 30 EHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H](N3CCCC3)C2)cc1 ZINC000532544269 1037572612 /nfs/dbraw/zinc/57/26/12/1037572612.db2.gz DHAOGSPQMNCCPC-NRFANRHFSA-N 1 1 331.463 3.895 20 30 EHEDMO CCN1CC[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@H](C)C1 ZINC000540182270 1037666220 /nfs/dbraw/zinc/66/62/20/1037666220.db2.gz SGFBDXODMMWQOL-SGZDXZSOSA-N 1 1 341.499 3.568 20 30 EHEDMO C[N@H+](CCc1ccccc1O)Cc1cc(C#N)ccc1Br ZINC000491762094 1037672250 /nfs/dbraw/zinc/67/22/50/1037672250.db2.gz JVTAZBOVGQWBJM-UHFFFAOYSA-N 1 1 345.240 3.701 20 30 EHEDMO C[N@@H+](CCc1ccccc1O)Cc1cc(C#N)ccc1Br ZINC000491762094 1037672263 /nfs/dbraw/zinc/67/22/63/1037672263.db2.gz JVTAZBOVGQWBJM-UHFFFAOYSA-N 1 1 345.240 3.701 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1ccc(COCCOC)cc1)c1ccc(Cl)cc1 ZINC000491783627 1037688119 /nfs/dbraw/zinc/68/81/19/1037688119.db2.gz POBLFUZYJGTAEG-HXUWFJFHSA-N 1 1 343.854 3.967 20 30 EHEDMO C=CCN(CC1CCCCC1)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000465399287 1037837675 /nfs/dbraw/zinc/83/76/75/1037837675.db2.gz VUXVHIOQYYNJCZ-LJQANCHMSA-N 1 1 335.536 3.742 20 30 EHEDMO C=CCN(CC1CCCCC1)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000465399286 1037839409 /nfs/dbraw/zinc/83/94/09/1037839409.db2.gz VUXVHIOQYYNJCZ-IBGZPJMESA-N 1 1 335.536 3.742 20 30 EHEDMO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000592152373 1037853287 /nfs/dbraw/zinc/85/32/87/1037853287.db2.gz WRZMNWJLZDICKI-LJQANCHMSA-N 1 1 344.361 3.608 20 30 EHEDMO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000592152373 1037853305 /nfs/dbraw/zinc/85/33/05/1037853305.db2.gz WRZMNWJLZDICKI-LJQANCHMSA-N 1 1 344.361 3.608 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c(Br)c1 ZINC000592140112 1037859868 /nfs/dbraw/zinc/85/98/68/1037859868.db2.gz CEOONISVORMRAP-OAHLLOKOSA-N 1 1 342.240 3.705 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)CCC(C)(C)C ZINC000592145313 1037865726 /nfs/dbraw/zinc/86/57/26/1037865726.db2.gz SDJSICUIXZONMF-GFCCVEGCSA-N 1 1 333.501 3.803 20 30 EHEDMO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000187934239 1037881186 /nfs/dbraw/zinc/88/11/86/1037881186.db2.gz ROPMEPXHEAXMHU-NRFANRHFSA-N 1 1 328.500 3.756 20 30 EHEDMO CCN(C(=O)NCCCCC#N)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000378160549 1038081344 /nfs/dbraw/zinc/08/13/44/1038081344.db2.gz UOTKGUPADRJOJA-MJGOQNOKSA-N 1 1 342.487 3.547 20 30 EHEDMO C=CCOc1ccc(C[N@H+](CCOC)Cc2ccc(C#N)cc2)cc1 ZINC000538739203 1038502315 /nfs/dbraw/zinc/50/23/15/1038502315.db2.gz YGPYYARJQSDWNR-UHFFFAOYSA-N 1 1 336.435 3.772 20 30 EHEDMO C=CC[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CC1 ZINC000538959103 1038616341 /nfs/dbraw/zinc/61/63/41/1038616341.db2.gz NMAUFFVXMDXQPG-LJQANCHMSA-N 1 1 326.465 3.604 20 30 EHEDMO C=CC[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CC1 ZINC000538959103 1038616344 /nfs/dbraw/zinc/61/63/44/1038616344.db2.gz NMAUFFVXMDXQPG-LJQANCHMSA-N 1 1 326.465 3.604 20 30 EHEDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](CCCC(C)(C)C#N)C[C@@H]21 ZINC000378650357 1038826351 /nfs/dbraw/zinc/82/63/51/1038826351.db2.gz WUWGXSDOSUWWKT-YESZJQIVSA-N 1 1 349.519 3.942 20 30 EHEDMO Cc1ccc2ncc(C#N)c(N(C)CCC[N@@H+](C)Cc3ccco3)c2c1 ZINC000488054593 1038826283 /nfs/dbraw/zinc/82/62/83/1038826283.db2.gz QEERHPUSNXYRPI-UHFFFAOYSA-N 1 1 348.450 3.966 20 30 EHEDMO Cc1cc(C[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C(C)C)ccc1C#N ZINC000488204301 1038962754 /nfs/dbraw/zinc/96/27/54/1038962754.db2.gz XKQCEIYRIOPHGN-UHFFFAOYSA-N 1 1 346.434 3.926 20 30 EHEDMO Cc1cc(C[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C(C)C)ccc1C#N ZINC000488204301 1038962769 /nfs/dbraw/zinc/96/27/69/1038962769.db2.gz XKQCEIYRIOPHGN-UHFFFAOYSA-N 1 1 346.434 3.926 20 30 EHEDMO C=C[C@H]1CCCCN1C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000488313221 1039078667 /nfs/dbraw/zinc/07/86/67/1039078667.db2.gz WRTOYWHTLLKBNA-APWZRJJASA-N 1 1 343.471 3.652 20 30 EHEDMO C=CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000488381038 1039134298 /nfs/dbraw/zinc/13/42/98/1039134298.db2.gz RLUGQBHZEGRRNX-WIYYLYMNSA-N 1 1 336.479 3.983 20 30 EHEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2CC2CCCCC2)cc1 ZINC000488429296 1039174151 /nfs/dbraw/zinc/17/41/51/1039174151.db2.gz FQORJYZVYJPBAL-WOJBJXKFSA-N 1 1 342.483 3.733 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000898515700 1039179914 /nfs/dbraw/zinc/17/99/14/1039179914.db2.gz CLTRLHPZCZQLND-WOJBJXKFSA-N 1 1 341.499 3.675 20 30 EHEDMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1F ZINC000512448992 1039183072 /nfs/dbraw/zinc/18/30/72/1039183072.db2.gz AJSMSLFFTFYICW-HNNXBMFYSA-N 1 1 340.398 3.509 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000489049053 1039588015 /nfs/dbraw/zinc/58/80/15/1039588015.db2.gz XHYXEGQVOIIVNM-YOEHRIQHSA-N 1 1 325.387 3.697 20 30 EHEDMO COC(=O)c1ccccc1CC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000480540105 1039663135 /nfs/dbraw/zinc/66/31/35/1039663135.db2.gz WARIVFJFCHUBBK-SFTDATJTSA-N 1 1 348.446 3.787 20 30 EHEDMO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)ccc1[N+](=O)[O-] ZINC000489158911 1039666584 /nfs/dbraw/zinc/66/65/84/1039666584.db2.gz ALYXXJWDAZZMRS-UHFFFAOYSA-N 1 1 339.395 3.886 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000489285998 1039791928 /nfs/dbraw/zinc/79/19/28/1039791928.db2.gz BCPPDPLKBVRTIZ-CYBMUJFWSA-N 1 1 327.815 3.843 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000489285998 1039791947 /nfs/dbraw/zinc/79/19/47/1039791947.db2.gz BCPPDPLKBVRTIZ-CYBMUJFWSA-N 1 1 327.815 3.843 20 30 EHEDMO CC(C)[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)CC[N@H+]1C ZINC000489382134 1039914068 /nfs/dbraw/zinc/91/40/68/1039914068.db2.gz YRMYQPIKBJFRAD-NRFANRHFSA-N 1 1 347.462 3.637 20 30 EHEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Br)cc1C ZINC000489500385 1040027352 /nfs/dbraw/zinc/02/73/52/1040027352.db2.gz QLQFSJIDBRJMRL-AWEZNQCLSA-N 1 1 337.261 3.737 20 30 EHEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1C ZINC000489500385 1040027369 /nfs/dbraw/zinc/02/73/69/1040027369.db2.gz QLQFSJIDBRJMRL-AWEZNQCLSA-N 1 1 337.261 3.737 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480799652 1040027964 /nfs/dbraw/zinc/02/79/64/1040027964.db2.gz LSSBFOYRORTXTK-INIZCTEOSA-N 1 1 332.513 3.917 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000245553254 1040138809 /nfs/dbraw/zinc/13/88/09/1040138809.db2.gz FJXQSDPPLZVCDA-GOSISDBHSA-N 1 1 341.480 3.671 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000245553254 1040138817 /nfs/dbraw/zinc/13/88/17/1040138817.db2.gz FJXQSDPPLZVCDA-GOSISDBHSA-N 1 1 341.480 3.671 20 30 EHEDMO N#Cc1cccc(OCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000490031112 1040299491 /nfs/dbraw/zinc/29/94/91/1040299491.db2.gz ZQHKDGYHGUCOJZ-UHFFFAOYSA-N 1 1 337.379 3.510 20 30 EHEDMO COc1ccc(C[N@H+]2CCc3ccccc3C2)cc1OCCCC#N ZINC000154432668 1040316297 /nfs/dbraw/zinc/31/62/97/1040316297.db2.gz FHJOEFLLVVBILU-UHFFFAOYSA-N 1 1 336.435 3.936 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)cc1 ZINC000614169723 1040344846 /nfs/dbraw/zinc/34/48/46/1040344846.db2.gz MWQYQWWHNMXHKJ-NRFANRHFSA-N 1 1 334.463 3.970 20 30 EHEDMO COc1cc(C#N)ccc1CSCC[N@@H+](C)Cc1ccccc1 ZINC000433038913 1040527092 /nfs/dbraw/zinc/52/70/92/1040527092.db2.gz JIKMLEXDTAUXIB-UHFFFAOYSA-N 1 1 326.465 3.932 20 30 EHEDMO C[N@@H+](CCSCCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000433036471 1040535307 /nfs/dbraw/zinc/53/53/07/1040535307.db2.gz VPDBDHUUVRADGJ-UHFFFAOYSA-N 1 1 326.465 3.802 20 30 EHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H](SCC)C1 ZINC000481237808 1040539958 /nfs/dbraw/zinc/53/99/58/1040539958.db2.gz YWXKOIOUJHPIDB-OALUTQOASA-N 1 1 349.540 3.762 20 30 EHEDMO C=CCc1cc(C[NH2+][C@H](C)CN2C[C@H](C)C[C@@H](C)C2)cc(OC)c1O ZINC000500129885 1040569736 /nfs/dbraw/zinc/56/97/36/1040569736.db2.gz IIDNJSKHVWXESG-BRWVUGGUSA-N 1 1 346.515 3.585 20 30 EHEDMO CN(C(=O)C[N@H+]1CCC[C@@H](c2ccccc2)C1)C1(C#N)CCCCC1 ZINC000433064349 1040589410 /nfs/dbraw/zinc/58/94/10/1040589410.db2.gz ANNMAWVWNGAIOX-LJQANCHMSA-N 1 1 339.483 3.551 20 30 EHEDMO C=C(C)C[N@H+](C)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000481323521 1040682068 /nfs/dbraw/zinc/68/20/68/1040682068.db2.gz VSVMXNVTCXYJIC-UHFFFAOYSA-N 1 1 340.389 3.704 20 30 EHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614235849 1040791743 /nfs/dbraw/zinc/79/17/43/1040791743.db2.gz KUKORXJRHMYZNQ-KRWDZBQOSA-N 1 1 330.435 3.820 20 30 EHEDMO CCC[N@H+](Cc1csc(-c2ncccn2)n1)Cc1ccc(C#N)cc1 ZINC000051855380 1040827447 /nfs/dbraw/zinc/82/74/47/1040827447.db2.gz YCTSCIPVCOXHKR-UHFFFAOYSA-N 1 1 349.463 3.884 20 30 EHEDMO CCC[N@@H+](Cc1csc(-c2ncccn2)n1)Cc1ccc(C#N)cc1 ZINC000051855380 1040827457 /nfs/dbraw/zinc/82/74/57/1040827457.db2.gz YCTSCIPVCOXHKR-UHFFFAOYSA-N 1 1 349.463 3.884 20 30 EHEDMO C=CCn1c2ccccc2n(C[N@H+](C[C@H]2CCOC2)C2CC2)c1=S ZINC000123823907 1040948325 /nfs/dbraw/zinc/94/83/25/1040948325.db2.gz TZGUEAALUBMULK-OAHLLOKOSA-N 1 1 343.496 3.817 20 30 EHEDMO C=CCn1c2ccccc2n(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1=S ZINC000123823907 1040948345 /nfs/dbraw/zinc/94/83/45/1040948345.db2.gz TZGUEAALUBMULK-OAHLLOKOSA-N 1 1 343.496 3.817 20 30 EHEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1ccc(F)c(F)c1 ZINC000481604417 1041146018 /nfs/dbraw/zinc/14/60/18/1041146018.db2.gz LBKDGDXPDVYOAZ-FMEYXAORSA-N 1 1 349.425 3.615 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)CC(C)(C)C#N ZINC000433301070 1041242993 /nfs/dbraw/zinc/24/29/93/1041242993.db2.gz UYUBMDFAXSPILN-UHFFFAOYSA-N 1 1 327.350 3.516 20 30 EHEDMO COc1cc(Br)ccc1CCC[N@@H+](C)CC(C)(C)C#N ZINC000433313003 1041255590 /nfs/dbraw/zinc/25/55/90/1041255590.db2.gz OJPAVKVFTUGUKU-UHFFFAOYSA-N 1 1 339.277 3.872 20 30 EHEDMO C=CC1CC[NH+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000111259922 1041536489 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C=CC[N@H+](CCc1ccccc1)Cc1ccc(-n2cncn2)c(C)c1 ZINC000512029223 1043006601 /nfs/dbraw/zinc/00/66/01/1043006601.db2.gz ASSXQAFPEOJGLR-UHFFFAOYSA-N 1 1 332.451 3.806 20 30 EHEDMO COC1CC[NH+](C2(CN[C@@H](C)c3cccc(C#N)c3)CCCC2)CC1 ZINC000344165154 1043352797 /nfs/dbraw/zinc/35/27/97/1043352797.db2.gz IXOLXKWVSLTMMI-KRWDZBQOSA-N 1 1 341.499 3.632 20 30 EHEDMO CC(C)C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279370541 1044007797 /nfs/dbraw/zinc/00/77/97/1044007797.db2.gz IRLLLWHUHQJISQ-KRWDZBQOSA-N 1 1 337.471 3.727 20 30 EHEDMO C=CCCOCCCCC(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000344466359 1044041564 /nfs/dbraw/zinc/04/15/64/1044041564.db2.gz AFNRWBYAEBILNE-LJQANCHMSA-N 1 1 342.483 3.761 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)Cc1ccccc1C ZINC000131015419 1125586118 /nfs/dbraw/zinc/58/61/18/1125586118.db2.gz ZXYXYXBLEZKCMU-UHFFFAOYSA-N 1 1 331.423 3.523 20 30 EHEDMO N#Cc1cccc(-c2nnc(C[N@H+](Cc3ccccc3)C3CC3)o2)c1 ZINC000075596596 1126736323 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20 30 EHEDMO CC[C@@H]1CN(C)CC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000552400393 1127753560 /nfs/dbraw/zinc/75/35/60/1127753560.db2.gz LMEXQYPTXNNPQN-OAQYLSRUSA-N 1 1 349.478 3.663 20 30 EHEDMO N#Cc1cc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000921619020 1127813127 /nfs/dbraw/zinc/81/31/27/1127813127.db2.gz KQTZWCFCDACFJV-KRWDZBQOSA-N 1 1 325.481 3.622 20 30 EHEDMO N#Cc1cc(C[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)cs1 ZINC000921619020 1127813135 /nfs/dbraw/zinc/81/31/35/1127813135.db2.gz KQTZWCFCDACFJV-KRWDZBQOSA-N 1 1 325.481 3.622 20 30 EHEDMO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCc2ccccc21 ZINC000075622560 1128353253 /nfs/dbraw/zinc/35/32/53/1128353253.db2.gz JCQOZUBPTKFABW-SFHVURJKSA-N 1 1 330.391 3.728 20 30 EHEDMO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCc2ccccc21 ZINC000075622560 1128353256 /nfs/dbraw/zinc/35/32/56/1128353256.db2.gz JCQOZUBPTKFABW-SFHVURJKSA-N 1 1 330.391 3.728 20 30 EHEDMO C=CCCC[C@@H](NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)c1ccccc1 ZINC000921646432 1128417884 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3.769 20 30 EHEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1ccc(C#N)nc1 ZINC000301513061 1128594798 /nfs/dbraw/zinc/59/47/98/1128594798.db2.gz BDLXYTRHEQHGNJ-UHFFFAOYSA-N 1 1 332.407 3.790 20 30 EHEDMO N#Cc1ccc(N2CCC[C@H](Nc3cc[nH+]cc3Cl)C2)c(F)c1 ZINC000301525677 1128595294 /nfs/dbraw/zinc/59/52/94/1128595294.db2.gz PNVYLGNULGACQV-ZDUSSCGKSA-N 1 1 330.794 3.827 20 30 EHEDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)C[N@H+]1Cc1ccccc1 ZINC000301600070 1128597798 /nfs/dbraw/zinc/59/77/98/1128597798.db2.gz CXKMKCRMWLFHMB-YOEHRIQHSA-N 1 1 336.395 3.541 20 30 EHEDMO C[C@H]1C[C@H](Nc2snc(Cl)c2C#N)C[N@H+]1Cc1ccccc1 ZINC000301613664 1128598484 /nfs/dbraw/zinc/59/84/84/1128598484.db2.gz HJHVSEMUHWMBAN-AAEUAGOBSA-N 1 1 332.860 3.743 20 30 EHEDMO CC(=O)c1ccc(C#N)c(NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000302115014 1128620230 /nfs/dbraw/zinc/62/02/30/1128620230.db2.gz REEOEJIZIRPYER-ZDUSSCGKSA-N 1 1 339.464 3.681 20 30 EHEDMO CC(=O)c1ccc(C#N)c(NC[C@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000302115014 1128620232 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EHEDMO Cc1nnc(N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c(C#N)c1C ZINC000302233036 1128628204 /nfs/dbraw/zinc/62/82/04/1128628204.db2.gz YYJRVWKEYUQLSP-IBGZPJMESA-N 1 1 337.471 3.534 20 30 EHEDMO N#Cc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)o1 ZINC000360075908 1128676173 /nfs/dbraw/zinc/67/61/73/1128676173.db2.gz OEOVBKBEXVRCTL-NRFANRHFSA-N 1 1 335.451 3.639 20 30 EHEDMO N#Cc1ccc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000554846609 1128716347 /nfs/dbraw/zinc/71/63/47/1128716347.db2.gz DKJUCUZSPDGUOE-MRXNPFEDSA-N 1 1 338.373 3.992 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000305748719 1128781382 /nfs/dbraw/zinc/78/13/82/1128781382.db2.gz XJGYHQPRAJIXNK-DLBZAZTESA-N 1 1 342.464 3.716 20 30 EHEDMO Cc1nn(C)c(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1Cl ZINC000921809695 1128783017 /nfs/dbraw/zinc/78/30/17/1128783017.db2.gz KASAMMSUZPNHIH-UHFFFAOYSA-N 1 1 341.764 3.542 20 30 EHEDMO C=C[C@H]1CCCCN1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000494239706 1120513192 /nfs/dbraw/zinc/51/31/92/1120513192.db2.gz ZECRHVPLIOKGEE-YOEHRIQHSA-N 1 1 335.879 3.693 20 30 EHEDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2sc3ccc(C#N)cc3c2C)C[C@H]1C ZINC000494479997 1120569692 /nfs/dbraw/zinc/56/96/92/1120569692.db2.gz QNZNKORJFDEWOC-CHWSQXEVSA-N 1 1 341.480 3.636 20 30 EHEDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2sc3ccc(C#N)cc3c2C)C[C@H]1C ZINC000494479997 1120569697 /nfs/dbraw/zinc/56/96/97/1120569697.db2.gz QNZNKORJFDEWOC-CHWSQXEVSA-N 1 1 341.480 3.636 20 30 EHEDMO N#Cc1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)cc1F ZINC000192125748 1120717125 /nfs/dbraw/zinc/71/71/25/1120717125.db2.gz LIKORCKKTYADHD-UHFFFAOYSA-N 1 1 329.463 3.785 20 30 EHEDMO COc1cccc(CCC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000761757609 1120886464 /nfs/dbraw/zinc/88/64/64/1120886464.db2.gz LJFUSKZOXBRENB-OAQYLSRUSA-N 1 1 336.435 3.573 20 30 EHEDMO COc1cccc(CCC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000761757609 1120886466 /nfs/dbraw/zinc/88/64/66/1120886466.db2.gz LJFUSKZOXBRENB-OAQYLSRUSA-N 1 1 336.435 3.573 20 30 EHEDMO C=CCC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000250128554 1120954927 /nfs/dbraw/zinc/95/49/27/1120954927.db2.gz WPEKWDYWEZUODK-UYAOXDASSA-N 1 1 328.500 3.831 20 30 EHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@H](C)Cc1cccc(F)c1)C2 ZINC001168483967 1121028064 /nfs/dbraw/zinc/02/80/64/1121028064.db2.gz DEPWWNUSCPAEHB-DUXKGJEZSA-N 1 1 347.474 3.830 20 30 EHEDMO C#CCOc1ccccc1-c1noc(C[N@H+](C)CCCCCC)n1 ZINC000761989504 1121043902 /nfs/dbraw/zinc/04/39/02/1121043902.db2.gz JVTXSRGVWMWLSL-UHFFFAOYSA-N 1 1 327.428 3.761 20 30 EHEDMO CCS[C@H](C)c1noc(CO[NH+]=C(N)CCCc2ccccc2)n1 ZINC000153448054 1121141884 /nfs/dbraw/zinc/14/18/84/1121141884.db2.gz LHMHSLXPDSNXTI-CYBMUJFWSA-N 1 1 348.472 3.695 20 30 EHEDMO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)c(OC)c2)o1 ZINC000282320549 1128967772 /nfs/dbraw/zinc/96/77/72/1128967772.db2.gz NPAOHNLVBYIAPE-QGZVFWFLSA-N 1 1 326.396 3.643 20 30 EHEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)c(OC)c2)o1 ZINC000282320549 1128967776 /nfs/dbraw/zinc/96/77/76/1128967776.db2.gz NPAOHNLVBYIAPE-QGZVFWFLSA-N 1 1 326.396 3.643 20 30 EHEDMO C#Cc1cccc(NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC000915339014 1121346787 /nfs/dbraw/zinc/34/67/87/1121346787.db2.gz ALKRITRRNYUOKO-UHFFFAOYSA-N 1 1 347.462 3.626 20 30 EHEDMO Cc1cc(C[NH2+]C[C@@H](C#N)CCC#N)cc(NC(=O)OC(C)(C)C)c1 ZINC000495990016 1121599889 /nfs/dbraw/zinc/59/98/89/1121599889.db2.gz PHIUNJOOWBNLQT-OAHLLOKOSA-N 1 1 342.443 3.875 20 30 EHEDMO CC[N@@H+](CC(=O)NCc1sccc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000193757974 1121620316 /nfs/dbraw/zinc/62/03/16/1121620316.db2.gz TYNZOBVGAHDRBX-OAHLLOKOSA-N 1 1 341.480 3.628 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000077247884 1129002978 /nfs/dbraw/zinc/00/29/78/1129002978.db2.gz XMZYWLNRPGTTIJ-CQSZACIVSA-N 1 1 328.387 3.778 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000077267150 1129004882 /nfs/dbraw/zinc/00/48/82/1129004882.db2.gz XRFHSEHLNCMJDG-AWEZNQCLSA-N 1 1 328.387 3.778 20 30 EHEDMO C=CC[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1cccc(C#N)c1 ZINC000077272242 1129006116 /nfs/dbraw/zinc/00/61/16/1129006116.db2.gz ZIOAEFGUAWSHOC-UHFFFAOYSA-N 1 1 344.418 3.839 20 30 EHEDMO N#Cc1c(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)cn2ccccc12 ZINC000609234111 1121808463 /nfs/dbraw/zinc/80/84/63/1121808463.db2.gz PVGKMEAJRQAXLL-OAQYLSRUSA-N 1 1 331.419 3.775 20 30 EHEDMO N#Cc1c(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)cn2ccccc12 ZINC000609234111 1121808472 /nfs/dbraw/zinc/80/84/72/1121808472.db2.gz PVGKMEAJRQAXLL-OAQYLSRUSA-N 1 1 331.419 3.775 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCC[N@H+]2CCCC#N)C1 ZINC000496624264 1122137207 /nfs/dbraw/zinc/13/72/07/1122137207.db2.gz NSRTXNOCBPLRPZ-SJORKVTESA-N 1 1 335.492 3.792 20 30 EHEDMO C=CCOc1cccc(C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000154136899 1122257385 /nfs/dbraw/zinc/25/73/85/1122257385.db2.gz HRGCZNJEBOEEKN-MRXNPFEDSA-N 1 1 334.423 3.683 20 30 EHEDMO CC(C)[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CCOCC1 ZINC000125518818 1122318813 /nfs/dbraw/zinc/31/88/13/1122318813.db2.gz GXYIRIWCKPZZOR-UHFFFAOYSA-N 1 1 341.373 3.826 20 30 EHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000125965684 1122368498 /nfs/dbraw/zinc/36/84/98/1122368498.db2.gz OATDGBKUOBYSLU-CQSZACIVSA-N 1 1 331.485 3.541 20 30 EHEDMO C#CC[N@H+](C[C@@H](O)c1c(F)cccc1F)[C@H]1CCc2ccccc21 ZINC000917119071 1122513465 /nfs/dbraw/zinc/51/34/65/1122513465.db2.gz PWOCXIZKGYSTAO-RBUKOAKNSA-N 1 1 327.374 3.621 20 30 EHEDMO CC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CCCC1 ZINC000917125185 1122518056 /nfs/dbraw/zinc/51/80/56/1122518056.db2.gz TVKULGUAYONWQX-AWEZNQCLSA-N 1 1 327.453 3.737 20 30 EHEDMO CC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CCCC1 ZINC000917125185 1122518059 /nfs/dbraw/zinc/51/80/59/1122518059.db2.gz TVKULGUAYONWQX-AWEZNQCLSA-N 1 1 327.453 3.737 20 30 EHEDMO C=CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C(C)C ZINC000917168184 1122543384 /nfs/dbraw/zinc/54/33/84/1122543384.db2.gz RUTOOKXEKHYLFX-UHFFFAOYSA-N 1 1 342.487 3.927 20 30 EHEDMO CCN(C(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1)c1ccccc1 ZINC000194538999 1122733716 /nfs/dbraw/zinc/73/37/16/1122733716.db2.gz XQNHKAOSGXYQFQ-UHFFFAOYSA-N 1 1 333.435 3.576 20 30 EHEDMO CCN(C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)c1ccccc1 ZINC000194538999 1122733721 /nfs/dbraw/zinc/73/37/21/1122733721.db2.gz XQNHKAOSGXYQFQ-UHFFFAOYSA-N 1 1 333.435 3.576 20 30 EHEDMO C=CCC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000130970782 1123027355 /nfs/dbraw/zinc/02/73/55/1123027355.db2.gz BTQOTCWPWPGATR-UHOSZYNNSA-N 1 1 329.488 3.818 20 30 EHEDMO CSc1ccccc1NC(=O)CC[N@@H+](CCC#N)CCC(C)C ZINC000072692463 1123143396 /nfs/dbraw/zinc/14/33/96/1123143396.db2.gz CVFGEJOCLPBOPB-UHFFFAOYSA-N 1 1 333.501 3.999 20 30 EHEDMO C=C(C)C[N@@H+](CCN1CCCc2ccccc21)Cc1ccc(CO)o1 ZINC000556840681 1123144723 /nfs/dbraw/zinc/14/47/23/1123144723.db2.gz LBDUJOJHHLNBTC-UHFFFAOYSA-N 1 1 340.467 3.603 20 30 EHEDMO N#Cc1cc(C[NH2+][C@H]2CCOc3c(Br)cccc32)cs1 ZINC000922104714 1129104153 /nfs/dbraw/zinc/10/41/53/1129104153.db2.gz CCIMDIYLAFYGIQ-AWEZNQCLSA-N 1 1 349.253 3.996 20 30 EHEDMO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000920484971 1123374916 /nfs/dbraw/zinc/37/49/16/1123374916.db2.gz LTOFLIRGUBLYTM-MRXNPFEDSA-N 1 1 343.500 3.740 20 30 EHEDMO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000920484971 1123374920 /nfs/dbraw/zinc/37/49/20/1123374920.db2.gz LTOFLIRGUBLYTM-MRXNPFEDSA-N 1 1 343.500 3.740 20 30 EHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000466039078 1129126217 /nfs/dbraw/zinc/12/62/17/1129126217.db2.gz LEZAJNAUVNRYCG-OLZOCXBDSA-N 1 1 341.908 3.582 20 30 EHEDMO C[C@@H]1C[C@H](NC(=O)Nc2cccc(C#Cc3ccccc3)c2)CC[N@H+]1C ZINC000466036210 1129127201 /nfs/dbraw/zinc/12/72/01/1129127201.db2.gz OJPNJRDGGIDFIW-DYESRHJHSA-N 1 1 347.462 3.691 20 30 EHEDMO CN(C(=O)C[N@@H+]1CCCCC[C@H]1c1ccco1)C1(C#N)CCCCC1 ZINC000609916240 1123692059 /nfs/dbraw/zinc/69/20/59/1123692059.db2.gz OWXRDIVDGHLNSR-KRWDZBQOSA-N 1 1 343.471 3.882 20 30 EHEDMO CN(C(=O)C[N@H+]1CCCCC[C@H]1c1ccco1)C1(C#N)CCCCC1 ZINC000609916240 1123692061 /nfs/dbraw/zinc/69/20/61/1123692061.db2.gz OWXRDIVDGHLNSR-KRWDZBQOSA-N 1 1 343.471 3.882 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1cccc(C#N)c1 ZINC000610141079 1123734743 /nfs/dbraw/zinc/73/47/43/1123734743.db2.gz RSWYZOHKQCSDOU-QGZVFWFLSA-N 1 1 348.450 3.687 20 30 EHEDMO C=CCOc1ccc(C[NH2+][C@@H](COC)c2ccc(C)o2)cc1OC ZINC000080238727 1123747596 /nfs/dbraw/zinc/74/75/96/1123747596.db2.gz YXBIUYYFWDHIOJ-INIZCTEOSA-N 1 1 331.412 3.639 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000237546902 1123763386 /nfs/dbraw/zinc/76/33/86/1123763386.db2.gz PBMSFZKAFBJZER-KURKYZTESA-N 1 1 343.515 3.824 20 30 EHEDMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)c1cc(F)ccc1F ZINC000179782554 1123854576 /nfs/dbraw/zinc/85/45/76/1123854576.db2.gz QRBHNJIQVHBCGR-KZULUSFZSA-N 1 1 343.377 3.904 20 30 EHEDMO CC[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000179791326 1123857970 /nfs/dbraw/zinc/85/79/70/1123857970.db2.gz BMUJVBFAVLQJII-KRWDZBQOSA-N 1 1 329.350 3.516 20 30 EHEDMO CCC1(CC)CCC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000615810604 1123880604 /nfs/dbraw/zinc/88/06/04/1123880604.db2.gz DSOCHVOJALGTIV-IBGZPJMESA-N 1 1 344.499 3.785 20 30 EHEDMO C=CC[C@H](NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccncc1 ZINC000734658302 1131263553 /nfs/dbraw/zinc/26/35/53/1131263553.db2.gz QQXLTHIHSIDHDL-HKUYNNGSSA-N 1 1 344.503 3.653 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(F)ccc2C(F)(F)F)no1 ZINC001212325487 1124669585 /nfs/dbraw/zinc/66/95/85/1124669585.db2.gz SCNZVKRNMPYDQE-LBPRGKRZSA-N 1 1 327.281 3.698 20 30 EHEDMO C[C@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@H]1CO ZINC000248762384 1124697588 /nfs/dbraw/zinc/69/75/88/1124697588.db2.gz JYMXBHSMKRPWOT-RXVVDRJESA-N 1 1 334.463 3.589 20 30 EHEDMO Cc1[nH+]ccn1CCCCNc1ccc(Br)cc1C#N ZINC000272830391 1124969383 /nfs/dbraw/zinc/96/93/83/1124969383.db2.gz KXRWIIFCNZQYBF-UHFFFAOYSA-N 1 1 333.233 3.718 20 30 EHEDMO Cc1cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccc1C#N ZINC000618590364 1125118887 /nfs/dbraw/zinc/11/88/87/1125118887.db2.gz UWQPNFAJSHGEGI-LJQANCHMSA-N 1 1 349.482 3.564 20 30 EHEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ncc(Br)s1 ZINC000618743050 1125179621 /nfs/dbraw/zinc/17/96/21/1125179621.db2.gz VFEVPETZDULUST-GFCCVEGCSA-N 1 1 334.242 3.554 20 30 EHEDMO COC[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000619754561 1125395096 /nfs/dbraw/zinc/39/50/96/1125395096.db2.gz DCAHCYUZAAYYOZ-KRWDZBQOSA-N 1 1 336.769 3.967 20 30 EHEDMO C[C@@H](CCN(C)C)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000066905649 1129221411 /nfs/dbraw/zinc/22/14/11/1129221411.db2.gz AWHONWAOHKPRBN-KRWDZBQOSA-N 1 1 337.467 3.567 20 30 EHEDMO C=C(CNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000673195721 1129228626 /nfs/dbraw/zinc/22/86/26/1129228626.db2.gz GNGPXINVBMJINF-OAQYLSRUSA-N 1 1 349.478 3.616 20 30 EHEDMO C=CC[C@@H](CC)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000466367590 1129406400 /nfs/dbraw/zinc/40/64/00/1129406400.db2.gz WZNQHPCFKSPQEY-IEBWSBKVSA-N 1 1 329.488 3.647 20 30 EHEDMO CN(Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000532981788 1129459034 /nfs/dbraw/zinc/45/90/34/1129459034.db2.gz FEWHHQGGUUOQCC-NRFANRHFSA-N 1 1 331.463 3.894 20 30 EHEDMO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCN(C2CC2)C1 ZINC000532981788 1129459035 /nfs/dbraw/zinc/45/90/35/1129459035.db2.gz FEWHHQGGUUOQCC-NRFANRHFSA-N 1 1 331.463 3.894 20 30 EHEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCN(C2CC2)C1 ZINC000532981788 1129459037 /nfs/dbraw/zinc/45/90/37/1129459037.db2.gz FEWHHQGGUUOQCC-NRFANRHFSA-N 1 1 331.463 3.894 20 30 EHEDMO N#Cc1ccc2ncc(C[N@H+]3CC[C@H](CSc4ccccc4)C3)n2c1 ZINC000093757024 1129602048 /nfs/dbraw/zinc/60/20/48/1129602048.db2.gz LLNQYTIYVFSSSY-KRWDZBQOSA-N 1 1 348.475 3.820 20 30 EHEDMO C=CCC[C@H](O)C[N@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428925247 1129612659 /nfs/dbraw/zinc/61/26/59/1129612659.db2.gz GVRHGQVNKCITIH-COXVUDFISA-N 1 1 343.389 3.794 20 30 EHEDMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428925247 1129612660 /nfs/dbraw/zinc/61/26/60/1129612660.db2.gz GVRHGQVNKCITIH-COXVUDFISA-N 1 1 343.389 3.794 20 30 EHEDMO N#Cc1c(F)cccc1C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000428958759 1129639116 /nfs/dbraw/zinc/63/91/16/1129639116.db2.gz VNUYVAULSIQUPC-UHFFFAOYSA-N 1 1 345.368 3.688 20 30 EHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000428958759 1129639119 /nfs/dbraw/zinc/63/91/19/1129639119.db2.gz VNUYVAULSIQUPC-UHFFFAOYSA-N 1 1 345.368 3.688 20 30 EHEDMO Cc1nc(C[NH2+]Cc2ccc(C)c(C#N)c2)sc1Br ZINC000922758870 1129653075 /nfs/dbraw/zinc/65/30/75/1129653075.db2.gz DVXPSCGJWMRFEA-UHFFFAOYSA-N 1 1 336.258 3.684 20 30 EHEDMO CC[N@@H+](C[C@@H](O)COc1ccccc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000125745338 1129713220 /nfs/dbraw/zinc/71/32/20/1129713220.db2.gz XDGOXRFYGFKELX-FXAWDEMLSA-N 1 1 338.451 3.690 20 30 EHEDMO COc1cc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000281720171 1129714976 /nfs/dbraw/zinc/71/49/76/1129714976.db2.gz PCALBSOCBNYFOC-UWJYYQICSA-N 1 1 349.478 3.567 20 30 EHEDMO COc1cc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000281720171 1129714978 /nfs/dbraw/zinc/71/49/78/1129714978.db2.gz PCALBSOCBNYFOC-UWJYYQICSA-N 1 1 349.478 3.567 20 30 EHEDMO C[C@H](C1CC1)[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000029841587 1129903237 /nfs/dbraw/zinc/90/32/37/1129903237.db2.gz WKLXJGVWENPRHU-MRXNPFEDSA-N 1 1 333.435 3.797 20 30 EHEDMO C[N@H+](Cc1ccc(C#N)o1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245536618 1130232907 /nfs/dbraw/zinc/23/29/07/1130232907.db2.gz IKFUVJMUCRYFAZ-CVEARBPZSA-N 1 1 337.206 3.548 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)o1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245536618 1130232917 /nfs/dbraw/zinc/23/29/17/1130232917.db2.gz IKFUVJMUCRYFAZ-CVEARBPZSA-N 1 1 337.206 3.548 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)CC[C@H]1c1ccccc1 ZINC000245724862 1130309677 /nfs/dbraw/zinc/30/96/77/1130309677.db2.gz IPLCZEWRMYERGP-OXQOHEQNSA-N 1 1 330.435 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CN(CCC#N)c1ccc(C[N@@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000769533458 1133310736 /nfs/dbraw/zinc/31/07/36/1133310736.db2.gz OMAUUTMRKHEERS-UHFFFAOYSA-N 1 1 341.405 3.873 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000769533458 1133310741 /nfs/dbraw/zinc/31/07/41/1133310741.db2.gz OMAUUTMRKHEERS-UHFFFAOYSA-N 1 1 341.405 3.873 20 30 EHEDMO C=CCCOC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769664849 1133327480 /nfs/dbraw/zinc/32/74/80/1133327480.db2.gz MJXGPDBFFQIQPO-UHFFFAOYSA-N 1 1 326.440 3.527 20 30 EHEDMO Cc1nn(-c2cc[nH+]cc2)cc1C=NNc1c(F)cccc1Cl ZINC000769826243 1133352760 /nfs/dbraw/zinc/35/27/60/1133352760.db2.gz BPQIJCJXPLAELW-UHFFFAOYSA-N 1 1 329.766 3.814 20 30 EHEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000769975371 1133371555 /nfs/dbraw/zinc/37/15/55/1133371555.db2.gz DUQLWKHUPCJJAM-MRXNPFEDSA-N 1 1 334.419 3.599 20 30 EHEDMO Fc1cc2c(cc1Br)[C@H]([NH2+]CC#Cc1ccccc1)CO2 ZINC001181185239 1133463608 /nfs/dbraw/zinc/46/36/08/1133463608.db2.gz OUCKDGWKRMHNIK-MRXNPFEDSA-N 1 1 346.199 3.663 20 30 EHEDMO COc1cccc(O)c1/C=N/C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000773905759 1133467139 /nfs/dbraw/zinc/46/71/39/1133467139.db2.gz NIBXHBGTVZRSSE-PPRFWAEMSA-N 1 1 338.451 3.730 20 30 EHEDMO C#C[C@H]([NH2+]Cc1c(C)[nH]c(C(=O)OCC)c1C)c1ccc(Cl)cc1 ZINC001182159987 1133580718 /nfs/dbraw/zinc/58/07/18/1133580718.db2.gz CWOOUPHNSUUMTI-KRWDZBQOSA-N 1 1 344.842 3.926 20 30 EHEDMO C#CC1CCN(C(=O)[C@H](c2ccccc2)[N@H+](CC)CCCC)CC1 ZINC001182233550 1133594951 /nfs/dbraw/zinc/59/49/51/1133594951.db2.gz HVYRSDXQMIXJHT-FQEVSTJZSA-N 1 1 326.484 3.722 20 30 EHEDMO CC[C@H](CC#N)NC(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC001182242932 1133599445 /nfs/dbraw/zinc/59/94/45/1133599445.db2.gz CMLTVDFLVMTZOJ-WOJBJXKFSA-N 1 1 335.451 3.668 20 30 EHEDMO CC[C@H](CC#N)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC001182242932 1133599447 /nfs/dbraw/zinc/59/94/47/1133599447.db2.gz CMLTVDFLVMTZOJ-WOJBJXKFSA-N 1 1 335.451 3.668 20 30 EHEDMO C#CCCCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182248384 1133601644 /nfs/dbraw/zinc/60/16/44/1133601644.db2.gz LSRYKUVXUHASCY-GOSISDBHSA-N 1 1 332.875 3.787 20 30 EHEDMO CCCC[N@@H+](CC)[C@@H](C(=O)N[C@@H](C#N)CC(C)C)c1ccccc1 ZINC001182237921 1133605177 /nfs/dbraw/zinc/60/51/77/1133605177.db2.gz TWZFFLOIANREBO-RTBURBONSA-N 1 1 329.488 3.904 20 30 EHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cc(C(=O)OC)co2)c1 ZINC000774243767 1133645235 /nfs/dbraw/zinc/64/52/35/1133645235.db2.gz NDAHAVQCEGCTAL-BBRMVZONSA-N 1 1 342.395 3.598 20 30 EHEDMO Oc1c(Cl)cc(Cl)cc1/C=N/CC1CC[NH+](C2CC2)CC1 ZINC000772156056 1133652842 /nfs/dbraw/zinc/65/28/42/1133652842.db2.gz UPTZZORJLJQWAJ-VXLYETTFSA-N 1 1 327.255 3.992 20 30 EHEDMO C#CC[N@@H+](Cc1ccc(N2CCCC2)nc1)[C@@H]1CCc2ccccc21 ZINC000772598465 1133706857 /nfs/dbraw/zinc/70/68/57/1133706857.db2.gz LLXPNEVETBHLHT-OAQYLSRUSA-N 1 1 331.463 3.805 20 30 EHEDMO C=CCSCC(=O)N1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001273478006 1133744268 /nfs/dbraw/zinc/74/42/68/1133744268.db2.gz KGQCTNAMFUXQFU-LJQANCHMSA-N 1 1 336.545 3.553 20 30 EHEDMO C=CCCCNC(=O)CCC[N@H+](CC)[C@H](C)Cc1ccc(OC)cc1 ZINC001183149393 1133772487 /nfs/dbraw/zinc/77/24/87/1133772487.db2.gz DFHHOYXFQHFUMJ-GOSISDBHSA-N 1 1 346.515 3.811 20 30 EHEDMO CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2cccc(F)c2C#N)c1 ZINC001183674798 1133839899 /nfs/dbraw/zinc/83/98/99/1133839899.db2.gz ZRZRNXYUSOLWGV-UHFFFAOYSA-N 1 1 340.398 3.942 20 30 EHEDMO C=CCC[N@H+](C)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000786442251 1133849946 /nfs/dbraw/zinc/84/99/46/1133849946.db2.gz DYDJGMRVGPHEKE-UHFFFAOYSA-N 1 1 328.235 3.569 20 30 EHEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000746668719 1133988299 /nfs/dbraw/zinc/98/82/99/1133988299.db2.gz RHJXJNDEBPDAQO-OAQYLSRUSA-N 1 1 349.478 3.685 20 30 EHEDMO CN(Cc1ccc(OCC#N)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746668719 1133988303 /nfs/dbraw/zinc/98/83/03/1133988303.db2.gz RHJXJNDEBPDAQO-OAQYLSRUSA-N 1 1 349.478 3.685 20 30 EHEDMO CN(Cc1ccc(OCC#N)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746668719 1133988305 /nfs/dbraw/zinc/98/83/05/1133988305.db2.gz RHJXJNDEBPDAQO-OAQYLSRUSA-N 1 1 349.478 3.685 20 30 EHEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C#N)cc(C)n1 ZINC001185536158 1134109267 /nfs/dbraw/zinc/10/92/67/1134109267.db2.gz XNNITDONJOUOGJ-IBGZPJMESA-N 1 1 334.467 3.610 20 30 EHEDMO Cc1nc(NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c(Cl)cc1C#N ZINC001186805797 1134255114 /nfs/dbraw/zinc/25/51/14/1134255114.db2.gz YBGFXPJKIXQKBF-SJORKVTESA-N 1 1 340.858 3.672 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OCCCC)cc2)n1 ZINC000789761982 1134327445 /nfs/dbraw/zinc/32/74/45/1134327445.db2.gz OCGCGBXSTMOKDN-UHFFFAOYSA-N 1 1 325.456 3.717 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OCCCC)cc2)n1 ZINC000789761982 1134327451 /nfs/dbraw/zinc/32/74/51/1134327451.db2.gz OCGCGBXSTMOKDN-UHFFFAOYSA-N 1 1 325.456 3.717 20 30 EHEDMO Cc1ccc(C[N@H+]2CC[C@H](Nc3nc(C#N)c(Cl)s3)C2)cc1 ZINC001187390234 1134334564 /nfs/dbraw/zinc/33/45/64/1134334564.db2.gz FGMWGDRUFJPNSD-ZDUSSCGKSA-N 1 1 332.860 3.663 20 30 EHEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000775185191 1134492590 /nfs/dbraw/zinc/49/25/90/1134492590.db2.gz YUWMORZVHCKKHZ-KRWDZBQOSA-N 1 1 333.435 3.675 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2C[C@H]3CC[N@@H+](C2)[C@H]3C)c1 ZINC001189278402 1134560739 /nfs/dbraw/zinc/56/07/39/1134560739.db2.gz UYQYXVVLNCKDAZ-KVSKMBFKSA-N 1 1 341.499 3.737 20 30 EHEDMO CC(C)[C@H](C(=O)[C@@H](C#N)c1nccc2ccccc21)[NH+]1CCCCC1 ZINC000792094648 1134654342 /nfs/dbraw/zinc/65/43/42/1134654342.db2.gz PCHRSPARWQZOPX-AZUAARDMSA-N 1 1 335.451 3.922 20 30 EHEDMO C=CC[N@H+](CCOC)Cc1ccc(OCc2ccccc2)cc1O ZINC000792192861 1134666415 /nfs/dbraw/zinc/66/64/15/1134666415.db2.gz ONBNTZVJTKJZQE-UHFFFAOYSA-N 1 1 327.424 3.606 20 30 EHEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC001170195554 1134711162 /nfs/dbraw/zinc/71/11/62/1134711162.db2.gz UNMRPDZDHQZOIX-VQTJNVASSA-N 1 1 326.484 3.875 20 30 EHEDMO C=CC[N@H+](CC(=O)Nc1ncc(Cc2cccc(C)c2)s1)C(C)C ZINC001190589422 1134724097 /nfs/dbraw/zinc/72/40/97/1134724097.db2.gz PNSHOXRKFQUJGL-UHFFFAOYSA-N 1 1 343.496 3.877 20 30 EHEDMO C=CC[N@@H+](CC(=O)Nc1ncc(Cc2cccc(C)c2)s1)C(C)C ZINC001190589422 1134724099 /nfs/dbraw/zinc/72/40/99/1134724099.db2.gz PNSHOXRKFQUJGL-UHFFFAOYSA-N 1 1 343.496 3.877 20 30 EHEDMO COC(=O)[C@H]1C[C@H](C)C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170389026 1134762338 /nfs/dbraw/zinc/76/23/38/1134762338.db2.gz JGDQRCKUIATURN-OFNGQUKOSA-N 1 1 340.467 3.522 20 30 EHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@]3(C2)CC(F)(F)CO3)CC1 ZINC001170394821 1134763190 /nfs/dbraw/zinc/76/31/90/1134763190.db2.gz BQGSMHWSWSCUTC-CTWPCTMYSA-N 1 1 346.421 3.891 20 30 EHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCCC[C@](O)(CF)C2)CC1 ZINC001170378916 1134767057 /nfs/dbraw/zinc/76/70/57/1134767057.db2.gz NPKUKMZTUDMFJN-MHJFOBGBSA-N 1 1 330.447 3.577 20 30 EHEDMO C=CCn1ccc2c1nc[nH+]c2N[C@@H]1CCc2ccc(OC)cc2C1 ZINC001170411993 1134772599 /nfs/dbraw/zinc/77/25/99/1134772599.db2.gz XAOQJEDYRQGNRP-MRXNPFEDSA-N 1 1 334.423 3.595 20 30 EHEDMO CCCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001191081858 1134790567 /nfs/dbraw/zinc/79/05/67/1134790567.db2.gz COCYTPAMUWVSKE-LJQANCHMSA-N 1 1 331.504 3.873 20 30 EHEDMO CC[C@]1(C)CCC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC001191212573 1134817825 /nfs/dbraw/zinc/81/78/25/1134817825.db2.gz AWJAGCSDEGRMBS-OWODTTCDSA-N 1 1 333.520 3.818 20 30 EHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCc1cc(C#N)ccc1F ZINC000747099711 1134844758 /nfs/dbraw/zinc/84/47/58/1134844758.db2.gz HXUZIMXJGFVDIV-UHFFFAOYSA-N 1 1 339.458 3.945 20 30 EHEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 ZINC001191928516 1134943618 /nfs/dbraw/zinc/94/36/18/1134943618.db2.gz KGGVKISVCZSRKO-UGKGYDQZSA-N 1 1 345.446 3.953 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000793617697 1134973967 /nfs/dbraw/zinc/97/39/67/1134973967.db2.gz RPLUOGJATLCBKE-WQVCFCJDSA-N 1 1 339.266 3.993 20 30 EHEDMO C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000804457673 1135075099 /nfs/dbraw/zinc/07/50/99/1135075099.db2.gz BUONLDHJBBGYPK-CTNGQTDRSA-N 1 1 338.495 3.534 20 30 EHEDMO C#C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F)[C@H]1CCCO1 ZINC000775571358 1135104326 /nfs/dbraw/zinc/10/43/26/1135104326.db2.gz FZSHIERIWGGERP-VZJVUDMVSA-N 1 1 329.774 3.773 20 30 EHEDMO C=CC[C@@H]1[N@@H+](CC(=O)NCc2ccc(CC)s2)CCCC1(C)C ZINC001193920054 1135203790 /nfs/dbraw/zinc/20/37/90/1135203790.db2.gz IZXUPEHQOUVKAJ-KRWDZBQOSA-N 1 1 334.529 3.993 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OCC2CC2)c(Cl)c1 ZINC001194213335 1135244630 /nfs/dbraw/zinc/24/46/30/1135244630.db2.gz LGTAMBKWAYGIJM-INIZCTEOSA-N 1 1 348.874 3.509 20 30 EHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)c1cccc(C)c1 ZINC001194268191 1135252960 /nfs/dbraw/zinc/25/29/60/1135252960.db2.gz FGZLLJSWKWIWCC-HXUWFJFHSA-N 1 1 327.472 3.884 20 30 EHEDMO C#CCN(C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)C1CC1 ZINC001194435445 1135273095 /nfs/dbraw/zinc/27/30/95/1135273095.db2.gz HRAOMVXBFBMMJE-QFIPXVFZSA-N 1 1 332.491 4.000 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCc3cccc(Cl)c3C2)cc1 ZINC001195012727 1135348808 /nfs/dbraw/zinc/34/88/08/1135348808.db2.gz IXIMCDPPOPOBMV-UHFFFAOYSA-N 1 1 339.826 3.599 20 30 EHEDMO CC[C@@H](C#N)N(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001130442182 1135353713 /nfs/dbraw/zinc/35/37/13/1135353713.db2.gz CKLWDZAGMOEIGD-HSALFYBXSA-N 1 1 341.499 3.541 20 30 EHEDMO C#CCOc1ccc([C@@H](C)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000806173575 1135398266 /nfs/dbraw/zinc/39/82/66/1135398266.db2.gz YJISUTYBOVCRCI-IIBYNOLFSA-N 1 1 340.442 3.791 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC001195357649 1135416246 /nfs/dbraw/zinc/41/62/46/1135416246.db2.gz GKPJSOCOGHYTQF-GFCCVEGCSA-N 1 1 345.805 3.982 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC001195357649 1135416249 /nfs/dbraw/zinc/41/62/49/1135416249.db2.gz GKPJSOCOGHYTQF-GFCCVEGCSA-N 1 1 345.805 3.982 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC001195809013 1135473094 /nfs/dbraw/zinc/47/30/94/1135473094.db2.gz FQSVCDYFUMTAIY-MRXNPFEDSA-N 1 1 336.435 3.607 20 30 EHEDMO COC(=O)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@H]2CCCC[C@@H]12 ZINC001195902750 1135488282 /nfs/dbraw/zinc/48/82/82/1135488282.db2.gz OMPKWZIKOIHBII-SCTDSRPQSA-N 1 1 345.870 3.745 20 30 EHEDMO COC(=O)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@H]2CCCC[C@@H]12 ZINC001195902750 1135488285 /nfs/dbraw/zinc/48/82/85/1135488285.db2.gz OMPKWZIKOIHBII-SCTDSRPQSA-N 1 1 345.870 3.745 20 30 EHEDMO C=CC[C@H]1CCC[N@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC001195945946 1135497689 /nfs/dbraw/zinc/49/76/89/1135497689.db2.gz CYADIHFLCSJBQG-ZDUSSCGKSA-N 1 1 334.261 3.885 20 30 EHEDMO C=CC[C@H]1CCC[N@H+](CC(=O)N[C@@H](CC)c2ccccc2OCC)C1 ZINC001195946083 1135497871 /nfs/dbraw/zinc/49/78/71/1135497871.db2.gz GKWHWHHEQPFUHJ-HKUYNNGSSA-N 1 1 344.499 3.941 20 30 EHEDMO CCN(C(=O)C#Cc1ccccc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000747367336 1135512517 /nfs/dbraw/zinc/51/25/17/1135512517.db2.gz CDLTXCUCBMSVSA-KNQAVFIVSA-N 1 1 346.474 3.722 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N[C@@H](CC)c1ccccc1OCC ZINC001196329754 1135547022 /nfs/dbraw/zinc/54/70/22/1135547022.db2.gz QOEIMTRZIHFMSP-SCTDSRPQSA-N 1 1 342.483 3.836 20 30 EHEDMO CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1C[N@@H+](CC1CCC(C#N)CC1)C2 ZINC001196470943 1135565030 /nfs/dbraw/zinc/56/50/30/1135565030.db2.gz XCMFBTMHVPKZEO-QCECMTGHSA-N 1 1 347.503 3.696 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(CCF)CC2)cc1C ZINC001196758915 1135602367 /nfs/dbraw/zinc/60/23/67/1135602367.db2.gz KPDAZVYOIYYTBW-UHFFFAOYSA-N 1 1 345.462 3.622 20 30 EHEDMO COC(=O)C12CCC(CC1)[N@@H+]2Cc1ccc(-c2ccccc2C#N)cc1 ZINC001196906615 1135628701 /nfs/dbraw/zinc/62/87/01/1135628701.db2.gz BUNKTHDFEAHKRQ-UHFFFAOYSA-N 1 1 346.430 3.895 20 30 EHEDMO COC(=O)C12CCC(CC1)[N@H+]2Cc1ccc(-c2ccccc2C#N)cc1 ZINC001196906615 1135628703 /nfs/dbraw/zinc/62/87/03/1135628703.db2.gz BUNKTHDFEAHKRQ-UHFFFAOYSA-N 1 1 346.430 3.895 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1O ZINC000747472288 1135639972 /nfs/dbraw/zinc/63/99/72/1135639972.db2.gz JWCHHZQYFQGFOS-OAQYLSRUSA-N 1 1 345.483 3.912 20 30 EHEDMO CCC#C[C@@H](C)[N@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001197778182 1135736041 /nfs/dbraw/zinc/73/60/41/1135736041.db2.gz SSXJVSBERBJOES-XLIONFOSSA-N 1 1 334.504 3.901 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C2CC2)C2CCCC2)cc1C ZINC000747530505 1135750033 /nfs/dbraw/zinc/75/00/33/1135750033.db2.gz XGRKKTJCKGYPRO-UHFFFAOYSA-N 1 1 339.483 3.957 20 30 EHEDMO CCCCC[N@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001201735143 1136062433 /nfs/dbraw/zinc/06/24/33/1136062433.db2.gz QHHXAWQAEODWJD-OAQYLSRUSA-N 1 1 341.499 3.667 20 30 EHEDMO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1CCCCCCCC ZINC001201813887 1136064842 /nfs/dbraw/zinc/06/48/42/1136064842.db2.gz KPOIIUGEUQAIGM-SFHVURJKSA-N 1 1 334.508 3.760 20 30 EHEDMO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1CCCCCCCC ZINC001201813887 1136064846 /nfs/dbraw/zinc/06/48/46/1136064846.db2.gz KPOIIUGEUQAIGM-SFHVURJKSA-N 1 1 334.508 3.760 20 30 EHEDMO CCCCCCC[N@@H+]1CCn2cc(CN(C)Cc3ccco3)nc2C1 ZINC001201776860 1136065778 /nfs/dbraw/zinc/06/57/78/1136065778.db2.gz OGZIHQOAOHVFMS-UHFFFAOYSA-N 1 1 344.503 3.894 20 30 EHEDMO CCCCCCC[N@H+]1CCn2cc(CN(C)Cc3ccco3)nc2C1 ZINC001201776860 1136065782 /nfs/dbraw/zinc/06/57/82/1136065782.db2.gz OGZIHQOAOHVFMS-UHFFFAOYSA-N 1 1 344.503 3.894 20 30 EHEDMO CCCCCCCCC[N@H+]1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001201839666 1136069459 /nfs/dbraw/zinc/06/94/59/1136069459.db2.gz PDHXQPRKNRGHMO-NHCUHLMSSA-N 1 1 346.563 3.924 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1cccc(OCCOC)c1)c1ccc(Cl)cc1 ZINC000811517483 1136097424 /nfs/dbraw/zinc/09/74/24/1136097424.db2.gz UFMPLSDHXUENRQ-LJQANCHMSA-N 1 1 329.827 3.829 20 30 EHEDMO c1ccc(C[N@@H+]2C[C@@H]3CCCC(=NNC[C@H]4CCSC4)[C@H]3C2)cc1 ZINC000811660937 1136118369 /nfs/dbraw/zinc/11/83/69/1136118369.db2.gz BNNIEJCWOUYXMA-QYZOEREBSA-N 1 1 343.540 3.617 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O ZINC000811779326 1136134783 /nfs/dbraw/zinc/13/47/83/1136134783.db2.gz OVZLPJFEWCXOOP-PKOBYXMFSA-N 1 1 331.456 3.519 20 30 EHEDMO C=CCC[C@H]([NH2+]Cc1ccc(Cl)c(C(=O)OC)n1)c1ccco1 ZINC000850513807 1136274674 /nfs/dbraw/zinc/27/46/74/1136274674.db2.gz GWOQXTDLGVGKDC-AWEZNQCLSA-N 1 1 334.803 3.912 20 30 EHEDMO Cc1cc(C)c(C#N)c(NC[C@@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC000216732588 1136384836 /nfs/dbraw/zinc/38/48/36/1136384836.db2.gz KZFBPSGWDVIVGJ-KRWDZBQOSA-N 1 1 328.847 3.938 20 30 EHEDMO CC[N@H+](CC(=O)Nc1ccc(Cl)nc1)[C@H](C)c1ccc(C#N)cc1 ZINC000851736087 1136402913 /nfs/dbraw/zinc/40/29/13/1136402913.db2.gz MECPYSNWAZZXES-CYBMUJFWSA-N 1 1 342.830 3.628 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)nc1)[C@H](C)c1ccc(C#N)cc1 ZINC000851736087 1136402916 /nfs/dbraw/zinc/40/29/16/1136402916.db2.gz MECPYSNWAZZXES-CYBMUJFWSA-N 1 1 342.830 3.628 20 30 EHEDMO C#CC[N@H+](CC[C@H]1Sc2ccccc2NC1=O)C1CCCCC1 ZINC000851738186 1136403119 /nfs/dbraw/zinc/40/31/19/1136403119.db2.gz XDKRZKSMABJZTK-GOSISDBHSA-N 1 1 328.481 3.757 20 30 EHEDMO C[C@H](CC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1)OCc1ccccc1 ZINC000852331908 1136450107 /nfs/dbraw/zinc/45/01/07/1136450107.db2.gz NBHAZGUARWXOGA-KNQAVFIVSA-N 1 1 349.478 3.934 20 30 EHEDMO C[C@H](CC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1)OCc1ccccc1 ZINC000852331908 1136450108 /nfs/dbraw/zinc/45/01/08/1136450108.db2.gz NBHAZGUARWXOGA-KNQAVFIVSA-N 1 1 349.478 3.934 20 30 EHEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(=O)oc3cc(NC(C)=O)ccc23)C1 ZINC000852410527 1136454262 /nfs/dbraw/zinc/45/42/62/1136454262.db2.gz MWJAYDIPWZNGAS-OAHLLOKOSA-N 1 1 340.423 3.540 20 30 EHEDMO C=CC[C@H]1CCC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000852411975 1136454686 /nfs/dbraw/zinc/45/46/86/1136454686.db2.gz XHAWRKRSULZUKX-RDJZCZTQSA-N 1 1 346.434 3.512 20 30 EHEDMO C=CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852474564 1136458316 /nfs/dbraw/zinc/45/83/16/1136458316.db2.gz VQRSHBRPSKDVBQ-HUUCEWRRSA-N 1 1 332.410 3.608 20 30 EHEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852472829 1136458591 /nfs/dbraw/zinc/45/85/91/1136458591.db2.gz GPTPBSNNSSYYBN-HUUCEWRRSA-N 1 1 332.410 3.608 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](CCF)C2)cc1C ZINC000852533368 1136463432 /nfs/dbraw/zinc/46/34/32/1136463432.db2.gz TVFFOZMRXFYXIK-GOSISDBHSA-N 1 1 345.462 3.622 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000852681572 1136477417 /nfs/dbraw/zinc/47/74/17/1136477417.db2.gz UFISZCRAGVMYQY-GOSISDBHSA-N 1 1 342.826 3.896 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000852681572 1136477419 /nfs/dbraw/zinc/47/74/19/1136477419.db2.gz UFISZCRAGVMYQY-GOSISDBHSA-N 1 1 342.826 3.896 20 30 EHEDMO CCCCCCCCCC(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000854569577 1136629198 /nfs/dbraw/zinc/62/91/98/1136629198.db2.gz WYRANUNPEAIJOS-GOSISDBHSA-N 1 1 338.536 3.839 20 30 EHEDMO C#CC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000830321198 1136643584 /nfs/dbraw/zinc/64/35/84/1136643584.db2.gz AZEWWNORXQLMCA-UHFFFAOYSA-N 1 1 336.222 3.889 20 30 EHEDMO C=CCOCCCC(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000816471371 1136718997 /nfs/dbraw/zinc/71/89/97/1136718997.db2.gz CMMRXMHKMQMFEI-PKOBYXMFSA-N 1 1 331.456 3.566 20 30 EHEDMO C[C@H]1[C@@H](OC(=O)c2cccc(C#N)c2)CCC[N@H+]1Cc1ccccc1 ZINC000816468583 1136720354 /nfs/dbraw/zinc/72/03/54/1136720354.db2.gz JVKIRBYAUQKZIJ-JXFKEZNVSA-N 1 1 334.419 3.768 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)c1cccc(C#N)c1 ZINC000816453132 1136722488 /nfs/dbraw/zinc/72/24/88/1136722488.db2.gz KMZMYGVUNXPXND-OXQOHEQNSA-N 1 1 334.419 3.626 20 30 EHEDMO CC(C)(C)OC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(C)(C)CCC#N)C2 ZINC000857069780 1136840944 /nfs/dbraw/zinc/84/09/44/1136840944.db2.gz SOSGGLKVNYCJSG-KXBFYZLASA-N 1 1 335.492 3.696 20 30 EHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001170882508 1136844694 /nfs/dbraw/zinc/84/46/94/1136844694.db2.gz SXZPJMZKYMQHTD-CRAIPNDOSA-N 1 1 343.471 3.541 20 30 EHEDMO CN(C)c1ccc([C@@H]([NH3+])CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000817944052 1136849921 /nfs/dbraw/zinc/84/99/21/1136849921.db2.gz XCMRIDHBVSVGKG-FCHUYYIVSA-N 1 1 348.494 3.681 20 30 EHEDMO CC(C)(C)[C@]1(C=NOC[C@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000857209348 1136854328 /nfs/dbraw/zinc/85/43/28/1136854328.db2.gz DCUMQCZUGDNQJN-FPOVZHCZSA-N 1 1 344.499 3.964 20 30 EHEDMO C=C[C@H]1C[C@@]1(Nc1ccc2[nH+]c(C)n(C(C)C)c2c1)C(=O)OCC ZINC001170924156 1136921853 /nfs/dbraw/zinc/92/18/53/1136921853.db2.gz TYZJZYGFAQNVTG-LIRRHRJNSA-N 1 1 327.428 3.845 20 30 EHEDMO C#CCCCCCC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000819678487 1136956104 /nfs/dbraw/zinc/95/61/04/1136956104.db2.gz NBSZCVKOKGJOLH-UHFFFAOYSA-N 1 1 333.501 3.822 20 30 EHEDMO C[C@H]1C[NH+](Cc2cc(Cl)ccc2OCC#N)C[C@H](C)C1(F)F ZINC000859412878 1137014161 /nfs/dbraw/zinc/01/41/61/1137014161.db2.gz ZOVDDOYDSNZSBX-RYUDHWBXSA-N 1 1 328.790 3.965 20 30 EHEDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000821483026 1137029517 /nfs/dbraw/zinc/02/95/17/1137029517.db2.gz ZZLXCZHPHWTSGA-CYBMUJFWSA-N 1 1 348.516 3.723 20 30 EHEDMO COc1ccc(Cl)cc1C1(c2noc([C@@H]([NH3+])CCCC#N)n2)CC1 ZINC000823287878 1137094514 /nfs/dbraw/zinc/09/45/14/1137094514.db2.gz SCYPFARIDSGXHO-ZDUSSCGKSA-N 1 1 346.818 3.505 20 30 EHEDMO C=CCOCC[N@@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000339035886 1137139475 /nfs/dbraw/zinc/13/94/75/1137139475.db2.gz KAJRMINXYVMHDC-KRWDZBQOSA-N 1 1 327.472 3.999 20 30 EHEDMO Cc1ccn2c(C[N@H+]3CCC[C@H](Oc4cccc(C#N)c4)C3)cnc2c1 ZINC001136890868 1137141412 /nfs/dbraw/zinc/14/14/12/1137141412.db2.gz AMHHUGLTMAAULS-FQEVSTJZSA-N 1 1 346.434 3.558 20 30 EHEDMO Cc1ccn2c(C[N@H+]3CCC[C@@H](Oc4ccc(C#N)cc4)C3)cnc2c1 ZINC001136893055 1137141853 /nfs/dbraw/zinc/14/18/53/1137141853.db2.gz XLZGJEAZDLBFOK-HXUWFJFHSA-N 1 1 346.434 3.558 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(Cl)cn1)[C@@H]2CC ZINC001136926364 1137149636 /nfs/dbraw/zinc/14/96/36/1137149636.db2.gz CQMPCBFVDNNCBP-MJGOQNOKSA-N 1 1 347.890 3.657 20 30 EHEDMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000824797787 1137152703 /nfs/dbraw/zinc/15/27/03/1137152703.db2.gz ZASYAPIMJQOVRJ-OAHLLOKOSA-N 1 1 343.471 3.587 20 30 EHEDMO C[NH+](C)Cc1c(F)cc(N[C@@H]2CCc3c2cccc3C#N)cc1F ZINC001171068980 1137153252 /nfs/dbraw/zinc/15/32/52/1137153252.db2.gz XPVAYRMLDMPVIX-LJQANCHMSA-N 1 1 327.378 3.997 20 30 EHEDMO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[N@H+](CC(C)(C)CCC#N)C2 ZINC000119280581 1137171422 /nfs/dbraw/zinc/17/14/22/1137171422.db2.gz YYEBZUWRNYPXHY-IYBDPMFKSA-N 1 1 335.492 3.790 20 30 EHEDMO C/C=C\C[C@H]1CCC[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000863339576 1137181586 /nfs/dbraw/zinc/18/15/86/1137181586.db2.gz DKTLKAFQYKPTFM-LIMHQNJXSA-N 1 1 335.455 3.761 20 30 EHEDMO CC(C)(C)OC(=O)Nc1cc(C[N@H+]2CCC[C@H](C#N)CC2)ccn1 ZINC001143692887 1137189623 /nfs/dbraw/zinc/18/96/23/1137189623.db2.gz HAIVDRXBTLCNRV-AWEZNQCLSA-N 1 1 330.432 3.554 20 30 EHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(F)cc(F)c1C)C2 ZINC001143764154 1137196784 /nfs/dbraw/zinc/19/67/84/1137196784.db2.gz KUPMWJSESOUUFL-PKOBYXMFSA-N 1 1 337.410 3.599 20 30 EHEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000794656670 1137224509 /nfs/dbraw/zinc/22/45/09/1137224509.db2.gz ICHIWIDCTSXKOW-SWLSCSKDSA-N 1 1 334.345 3.652 20 30 EHEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000794656670 1137224510 /nfs/dbraw/zinc/22/45/10/1137224510.db2.gz ICHIWIDCTSXKOW-SWLSCSKDSA-N 1 1 334.345 3.652 20 30 EHEDMO C=CCC(C)(C)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001144072764 1137234965 /nfs/dbraw/zinc/23/49/65/1137234965.db2.gz GUOOYLWVTHSJKK-UXHICEINSA-N 1 1 340.511 3.959 20 30 EHEDMO C#Cc1cccc(N(C)C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC001144133635 1137242810 /nfs/dbraw/zinc/24/28/10/1137242810.db2.gz CPTLDQRGBYKKRV-OAQYLSRUSA-N 1 1 346.474 3.585 20 30 EHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)c(F)cc1O ZINC001144300106 1137268742 /nfs/dbraw/zinc/26/87/42/1137268742.db2.gz SXKVWYKIVJWDIT-UHFFFAOYSA-N 1 1 349.203 3.797 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)c(F)cc1O ZINC001144300106 1137268743 /nfs/dbraw/zinc/26/87/43/1137268743.db2.gz SXKVWYKIVJWDIT-UHFFFAOYSA-N 1 1 349.203 3.797 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001171179282 1137290814 /nfs/dbraw/zinc/29/08/14/1137290814.db2.gz QNAKTFIZXOLKOH-CVDCTZTESA-N 1 1 347.506 3.991 20 30 EHEDMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cccc3cc[nH]c31)C2 ZINC001144712003 1137333319 /nfs/dbraw/zinc/33/33/19/1137333319.db2.gz GXXFXVWPKYNORP-CTNGQTDRSA-N 1 1 340.467 3.742 20 30 EHEDMO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cccc3cc[nH]c31)CC2 ZINC001144712584 1137333560 /nfs/dbraw/zinc/33/35/60/1137333560.db2.gz CFIHSLSEHGMHDE-OAQYLSRUSA-N 1 1 337.467 3.701 20 30 EHEDMO CCCCCn1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)c(C)n1 ZINC000866313113 1137344841 /nfs/dbraw/zinc/34/48/41/1137344841.db2.gz WGJSEEBKSLNNSW-HNNXBMFYSA-N 1 1 326.444 3.810 20 30 EHEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000866335639 1137346714 /nfs/dbraw/zinc/34/67/14/1137346714.db2.gz DIQBUCOCDPQXQU-VYDXJSESSA-N 1 1 327.472 3.567 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001171229108 1137354183 /nfs/dbraw/zinc/35/41/83/1137354183.db2.gz KRJNIMPUWGWUSG-ZBEGNZNMSA-N 1 1 334.345 3.846 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001171229108 1137354185 /nfs/dbraw/zinc/35/41/85/1137354185.db2.gz KRJNIMPUWGWUSG-ZBEGNZNMSA-N 1 1 334.345 3.846 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)n1ccc(C[NH2+]Cc2ccccc2)n1 ZINC001171232439 1137357893 /nfs/dbraw/zinc/35/78/93/1137357893.db2.gz SGXGOYRNKMYDTI-QGZVFWFLSA-N 1 1 330.435 3.848 20 30 EHEDMO N#CCCCC[C@H]([NH3+])c1nc(Cc2cccc(Br)c2)no1 ZINC000846769792 1137366518 /nfs/dbraw/zinc/36/65/18/1137366518.db2.gz KBUZMNHMUQNBJC-ZDUSSCGKSA-N 1 1 349.232 3.507 20 30 EHEDMO C#C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(OCCCC)cc3)o2)C1 ZINC000847023084 1137383108 /nfs/dbraw/zinc/38/31/08/1137383108.db2.gz KVRGTEBPQOSOHX-MRXNPFEDSA-N 1 1 339.439 3.761 20 30 EHEDMO C#C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(OCCCC)cc3)o2)C1 ZINC000847023084 1137383110 /nfs/dbraw/zinc/38/31/10/1137383110.db2.gz KVRGTEBPQOSOHX-MRXNPFEDSA-N 1 1 339.439 3.761 20 30 EHEDMO C#C[C@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000847024651 1137383153 /nfs/dbraw/zinc/38/31/53/1137383153.db2.gz JXLLAEMYUBIKJR-ZDUSSCGKSA-N 1 1 345.240 3.949 20 30 EHEDMO C#C[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000847024651 1137383155 /nfs/dbraw/zinc/38/31/55/1137383155.db2.gz JXLLAEMYUBIKJR-ZDUSSCGKSA-N 1 1 345.240 3.949 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCCC[C@H]1CC(C)C ZINC000122165274 1137411149 /nfs/dbraw/zinc/41/11/49/1137411149.db2.gz ZXJLBZVZGHCSHC-IBGZPJMESA-N 1 1 337.471 3.983 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC001171400139 1137471607 /nfs/dbraw/zinc/47/16/07/1137471607.db2.gz SJWXKODAPXTDTF-HNNXBMFYSA-N 1 1 339.395 3.928 20 30 EHEDMO N#Cc1ccc(O[C@@H]2CCC[N@H+]([C@H]3Cc4cccc(F)c4C3)C2)cc1 ZINC001171809973 1137514274 /nfs/dbraw/zinc/51/42/74/1137514274.db2.gz NTRDRFMJASEZNC-PKOBYXMFSA-N 1 1 336.410 3.708 20 30 EHEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)C1 ZINC001171858503 1137515984 /nfs/dbraw/zinc/51/59/84/1137515984.db2.gz QJMPDRBHIYDMCT-SJORKVTESA-N 1 1 332.488 3.654 20 30 EHEDMO CCCC[N@@H+](CCC#N)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171894575 1137517547 /nfs/dbraw/zinc/51/75/47/1137517547.db2.gz HOXHZJWPTTVBBT-LJQANCHMSA-N 1 1 327.472 3.697 20 30 EHEDMO CC(C)(C)OC(=O)C1CCC([N@H+]2CCc3ccc(C#N)cc3C2)CC1 ZINC001171922408 1137521064 /nfs/dbraw/zinc/52/10/64/1137521064.db2.gz WMKGXHGOZRBAPQ-UHFFFAOYSA-N 1 1 340.467 3.817 20 30 EHEDMO N#Cc1c[nH]c2cc(C(=O)Nc3cc[nH+]c(N4CCCCC4)c3)ccc12 ZINC000888577547 1137543439 /nfs/dbraw/zinc/54/34/39/1137543439.db2.gz KSVIWDALAWTZMD-UHFFFAOYSA-N 1 1 345.406 3.677 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1CC(=O)OC(C)(C)C ZINC001172309653 1137546099 /nfs/dbraw/zinc/54/60/99/1137546099.db2.gz AZRXJUCZVIQKST-CRAIPNDOSA-N 1 1 328.456 3.685 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001172311309 1137546374 /nfs/dbraw/zinc/54/63/74/1137546374.db2.gz BJPTYASMBGKPAX-YSZBQJHXSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)N1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001172311309 1137546376 /nfs/dbraw/zinc/54/63/76/1137546376.db2.gz BJPTYASMBGKPAX-YSZBQJHXSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001172311309 1137546378 /nfs/dbraw/zinc/54/63/78/1137546378.db2.gz BJPTYASMBGKPAX-YSZBQJHXSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001172319510 1137546932 /nfs/dbraw/zinc/54/69/32/1137546932.db2.gz NQYGXUIAPQFQLC-YFXJRYMSSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001172319510 1137546933 /nfs/dbraw/zinc/54/69/33/1137546933.db2.gz NQYGXUIAPQFQLC-YFXJRYMSSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001172319510 1137546934 /nfs/dbraw/zinc/54/69/34/1137546934.db2.gz NQYGXUIAPQFQLC-YFXJRYMSSA-N 1 1 345.490 3.696 20 30 EHEDMO CC(=O)c1ccc(C#N)cc1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000795179752 1137547996 /nfs/dbraw/zinc/54/79/96/1137547996.db2.gz NHHRRARVWPEMQV-IBGZPJMESA-N 1 1 333.435 3.695 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876547655 1137655216 /nfs/dbraw/zinc/65/52/16/1137655216.db2.gz FWXVCXJEJOWOQQ-UHFFFAOYSA-N 1 1 342.508 3.897 20 30 EHEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC3CCC(C#N)CC3)cc2)C1 ZINC000876836746 1137663255 /nfs/dbraw/zinc/66/32/55/1137663255.db2.gz IYFHMMOGLAQBNS-WWDZGPRUSA-N 1 1 327.472 3.901 20 30 EHEDMO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cc(C3CC3)no2)ccc1OC ZINC000877029540 1137667972 /nfs/dbraw/zinc/66/79/72/1137667972.db2.gz GQWDOCQHAKHJJE-HNNXBMFYSA-N 1 1 341.411 3.531 20 30 EHEDMO C=CC[C@H]([NH2+]Cc1cc(Br)cnc1OC)c1ccncc1 ZINC000877046917 1137668645 /nfs/dbraw/zinc/66/86/45/1137668645.db2.gz UQOXGMLCNRBINV-HNNXBMFYSA-N 1 1 348.244 3.655 20 30 EHEDMO N#CCOc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)cc1 ZINC001137117787 1137673827 /nfs/dbraw/zinc/67/38/27/1137673827.db2.gz GOUXYYWILSOQQS-GIVPXCGWSA-N 1 1 340.467 3.616 20 30 EHEDMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2cc(C#N)cnc2Cl)CC1 ZINC000877376355 1137674918 /nfs/dbraw/zinc/67/49/18/1137674918.db2.gz HDMBTRIJHHRFNY-CYBMUJFWSA-N 1 1 346.887 3.547 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000877533501 1137680208 /nfs/dbraw/zinc/68/02/08/1137680208.db2.gz PKFXBQGZZZPWGN-APWZRJJASA-N 1 1 335.492 3.649 20 30 EHEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000877674288 1137685455 /nfs/dbraw/zinc/68/54/55/1137685455.db2.gz SWFPJHWTTNWZQM-RBBKRZOGSA-N 1 1 335.447 3.787 20 30 EHEDMO CC(C)n1ncc2cc(C[N@@H+](C)CCc3cccc(C#N)c3)cnc21 ZINC000877703662 1137686502 /nfs/dbraw/zinc/68/65/02/1137686502.db2.gz COTZEIUVTFDYDT-UHFFFAOYSA-N 1 1 333.439 3.558 20 30 EHEDMO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000877916578 1137695606 /nfs/dbraw/zinc/69/56/06/1137695606.db2.gz GQVUZQKHLGRTAN-CQSZACIVSA-N 1 1 341.842 3.979 20 30 EHEDMO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000877916578 1137695607 /nfs/dbraw/zinc/69/56/07/1137695607.db2.gz GQVUZQKHLGRTAN-CQSZACIVSA-N 1 1 341.842 3.979 20 30 EHEDMO FC(F)(F)OCCC[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000877989769 1137698541 /nfs/dbraw/zinc/69/85/41/1137698541.db2.gz DFSWMHJIGREALJ-YUMQZZPRSA-N 1 1 347.221 3.976 20 30 EHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000878004864 1137699112 /nfs/dbraw/zinc/69/91/12/1137699112.db2.gz BUCRJTULCWICHT-FQEVSTJZSA-N 1 1 342.483 3.744 20 30 EHEDMO N#CCC1(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)CC1 ZINC000878185637 1137706272 /nfs/dbraw/zinc/70/62/72/1137706272.db2.gz LRFKXHNNBATLNE-GOSISDBHSA-N 1 1 326.465 3.978 20 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/nfs/dbraw/zinc/75/13/37/1137751337.db2.gz IAJREINRQHBQLM-OCCSQVGLSA-N 1 1 337.286 3.506 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3nccs3)C2)c(Br)c1 ZINC000880319481 1137774981 /nfs/dbraw/zinc/77/49/81/1137774981.db2.gz HJVUFZPENZIVKN-CYBMUJFWSA-N 1 1 348.269 3.767 20 30 EHEDMO C=CCCC[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccccc1 ZINC000880389112 1137777603 /nfs/dbraw/zinc/77/76/03/1137777603.db2.gz RPMVAWDZSZFDLD-IBGZPJMESA-N 1 1 333.439 3.850 20 30 EHEDMO Cc1cc(N2CCC[C@@H](CF)C2)c(C#N)c(N2CCC[C@H](CF)C2)[nH+]1 ZINC000882802941 1137834649 /nfs/dbraw/zinc/83/46/49/1137834649.db2.gz XKAJZDSGJIDBRK-JKSUJKDBSA-N 1 1 348.441 3.634 20 30 EHEDMO N#Cc1cccc(OC2CC[NH+](Cc3cc(C#N)ccc3F)CC2)c1 ZINC000104713709 1137879259 /nfs/dbraw/zinc/87/92/59/1137879259.db2.gz MCKDQCIAEWIQCQ-UHFFFAOYSA-N 1 1 335.382 3.612 20 30 EHEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)s1 ZINC000106878804 1137884893 /nfs/dbraw/zinc/88/48/93/1137884893.db2.gz GIRZJHKSOBBAIM-ZDUSSCGKSA-N 1 1 342.468 3.653 20 30 EHEDMO Clc1ccc(N=NC2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)nn1 ZINC000884377124 1137955637 /nfs/dbraw/zinc/95/56/37/1137955637.db2.gz ZHCNJJGXHJOQJA-HOCLYGCPSA-N 1 1 341.846 3.582 20 30 EHEDMO N#CC1(C[C@H](O)C[N@H+]2CCc3oc(-c4ccccc4)cc3C2)CCC1 ZINC000886267206 1138063019 /nfs/dbraw/zinc/06/30/19/1138063019.db2.gz IGBLUESUFDRXHB-SFHVURJKSA-N 1 1 336.435 3.750 20 30 EHEDMO N#CCCCCN1CC[N@@H+](CCCCC#N)[C@@H](Cc2ccccc2)C1 ZINC000886381534 1138072395 /nfs/dbraw/zinc/07/23/95/1138072395.db2.gz HJHVRQBQCCGUBE-NRFANRHFSA-N 1 1 338.499 3.603 20 30 EHEDMO N#CCCCCN1CC[N@H+](CCCCC#N)C[C@@H]1Cc1ccccc1 ZINC000886381534 1138072396 /nfs/dbraw/zinc/07/23/96/1138072396.db2.gz HJHVRQBQCCGUBE-NRFANRHFSA-N 1 1 338.499 3.603 20 30 EHEDMO N#CCCCCN1CC[N@@H+](CCCCC#N)C[C@@H]1Cc1ccccc1 ZINC000886381534 1138072397 /nfs/dbraw/zinc/07/23/97/1138072397.db2.gz HJHVRQBQCCGUBE-NRFANRHFSA-N 1 1 338.499 3.603 20 30 EHEDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000076388076 1138131224 /nfs/dbraw/zinc/13/12/24/1138131224.db2.gz HRTLNKHEKGRCNI-GOEBONIOSA-N 1 1 339.464 3.745 20 30 EHEDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000076388076 1138131225 /nfs/dbraw/zinc/13/12/25/1138131225.db2.gz HRTLNKHEKGRCNI-GOEBONIOSA-N 1 1 339.464 3.745 20 30 EHEDMO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000886759884 1138133806 /nfs/dbraw/zinc/13/38/06/1138133806.db2.gz RZSKWPQLMJHZTL-INIZCTEOSA-N 1 1 330.472 3.540 20 30 EHEDMO C=CCc1cc(C[NH2+][C@@H](COC)c2ccc(C)o2)cc(OC)c1O ZINC000080238899 1138161757 /nfs/dbraw/zinc/16/17/57/1138161757.db2.gz YWUNCPGXFHTMQT-INIZCTEOSA-N 1 1 331.412 3.508 20 30 EHEDMO Cc1ccc2ncc(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)n2c1 ZINC000092034480 1138224540 /nfs/dbraw/zinc/22/45/40/1138224540.db2.gz RDXKZGZXYFHNDN-UHFFFAOYSA-N 1 1 346.434 3.558 20 30 EHEDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000093419447 1138237841 /nfs/dbraw/zinc/23/78/41/1138237841.db2.gz SOLAIDXCDJZXQF-GOSISDBHSA-N 1 1 346.471 3.626 20 30 EHEDMO C=CCC[C@@H](O)C[N@@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000123160469 1138267017 /nfs/dbraw/zinc/26/70/17/1138267017.db2.gz FGVRGHKASWEVJV-MRXNPFEDSA-N 1 1 326.440 3.593 20 30 EHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)C[C@@H](C)C#N)c1 ZINC000264169959 1138432804 /nfs/dbraw/zinc/43/28/04/1138432804.db2.gz VRTLHODELIKFTM-HNNXBMFYSA-N 1 1 339.443 3.678 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000338139799 1138763942 /nfs/dbraw/zinc/76/39/42/1138763942.db2.gz KLPINVORHANROE-QGZVFWFLSA-N 1 1 347.462 3.603 20 30 EHEDMO CN(Cc1cc(C#N)cs1)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000887971461 1139004456 /nfs/dbraw/zinc/00/44/56/1139004456.db2.gz ZNVHLEKULNAHJY-INIZCTEOSA-N 1 1 347.871 3.534 20 30 EHEDMO C[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000429570363 1139310451 /nfs/dbraw/zinc/31/04/51/1139310451.db2.gz ONOMCPGSEIGDEU-GDBMZVCRSA-N 1 1 333.863 3.707 20 30 EHEDMO C#CCCOc1ccc(C[NH2+][C@H](COC)c2ccc(CC)o2)cc1 ZINC000174478146 1139423264 /nfs/dbraw/zinc/42/32/64/1139423264.db2.gz PPGCZVZPZSXHBQ-LJQANCHMSA-N 1 1 327.424 3.721 20 30 EHEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000174508550 1139424885 /nfs/dbraw/zinc/42/48/85/1139424885.db2.gz WBAIWIUFOFCSJD-KRWDZBQOSA-N 1 1 347.462 3.639 20 30 EHEDMO CCN(C[C@H]1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1)CC(F)(F)F ZINC000176405496 1139556166 /nfs/dbraw/zinc/55/61/66/1139556166.db2.gz AGTSHZSDVGEQMA-GOEBONIOSA-N 1 1 339.405 3.825 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2F)c(C#N)c1C ZINC000181589774 1139918379 /nfs/dbraw/zinc/91/83/79/1139918379.db2.gz YWDNROCVZGNCLP-WDEREUQCSA-N 1 1 347.365 3.724 20 30 EHEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccccn2)cc1OCCCC#N ZINC000183675144 1140052542 /nfs/dbraw/zinc/05/25/42/1140052542.db2.gz QYUKNKDTWGCVKV-INIZCTEOSA-N 1 1 339.439 3.966 20 30 EHEDMO C#CCC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000185879063 1140175137 /nfs/dbraw/zinc/17/51/37/1140175137.db2.gz CIDXOHOXHTUCMM-WOJBJXKFSA-N 1 1 338.495 3.549 20 30 EHEDMO C=C(C)[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(F)c(F)c1 ZINC000187768737 1140270271 /nfs/dbraw/zinc/27/02/71/1140270271.db2.gz MGKUIKYESDWODC-SFHVURJKSA-N 1 1 347.409 3.514 20 30 EHEDMO C=CC[NH+]1CCC(N[C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000187977467 1140278929 /nfs/dbraw/zinc/27/89/29/1140278929.db2.gz GTXNXCWJLGZORG-LBPRGKRZSA-N 1 1 341.268 3.889 20 30 EHEDMO CC(C)N1CC[NH+](CCCSc2ccc(C#N)cc2Cl)CC1 ZINC000188324013 1140291976 /nfs/dbraw/zinc/29/19/76/1140291976.db2.gz SJDOHUBCDQXZDJ-UHFFFAOYSA-N 1 1 337.920 3.720 20 30 EHEDMO CC[N@H+](CC(=O)Nc1cccc(OC)c1)[C@@H](C)c1cccc(C#N)c1 ZINC000189776676 1140363370 /nfs/dbraw/zinc/36/33/70/1140363370.db2.gz LXLSUDTVKSSGOL-HNNXBMFYSA-N 1 1 337.423 3.588 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)[C@@H](C)c1cccc(C#N)c1 ZINC000189776676 1140363380 /nfs/dbraw/zinc/36/33/80/1140363380.db2.gz LXLSUDTVKSSGOL-HNNXBMFYSA-N 1 1 337.423 3.588 20 30 EHEDMO CC[N@@H+](CC1CCC2(CC1)OCCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000190197718 1140391866 /nfs/dbraw/zinc/39/18/66/1140391866.db2.gz NXJHGWLVHINLIE-INIZCTEOSA-N 1 1 328.456 3.874 20 30 EHEDMO C=CCC1(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CCC1 ZINC000191300895 1140452414 /nfs/dbraw/zinc/45/24/14/1140452414.db2.gz GEAYXSAFDAORDP-MRXNPFEDSA-N 1 1 328.456 3.765 20 30 EHEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C[C@@H]1CCOC1 ZINC000191532042 1140470439 /nfs/dbraw/zinc/47/04/39/1140470439.db2.gz IEKKHKKGQYMUMO-IBGZPJMESA-N 1 1 334.463 3.855 20 30 EHEDMO C[C@H](c1cccc(NCc2ccc(F)c(C#N)c2)c1)[NH+]1CCOCC1 ZINC000268136699 1140890485 /nfs/dbraw/zinc/89/04/85/1140890485.db2.gz GTZOYONHXCJLNA-OAHLLOKOSA-N 1 1 339.414 3.703 20 30 EHEDMO C[N@H+](Cc1ccccc1C(F)(F)F)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268647432 1140967284 /nfs/dbraw/zinc/96/72/84/1140967284.db2.gz UYNXOXVQDACRQI-QGZVFWFLSA-N 1 1 334.341 3.742 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000271055174 1141301280 /nfs/dbraw/zinc/30/12/80/1141301280.db2.gz YUSCQBCSDMBFLF-UHFFFAOYSA-N 1 1 332.488 3.565 20 30 EHEDMO C=CCOc1ccc(C[N@H+](C)C2CCN(C(C)C)CC2)cc1OC ZINC000271055174 1141301288 /nfs/dbraw/zinc/30/12/88/1141301288.db2.gz YUSCQBCSDMBFLF-UHFFFAOYSA-N 1 1 332.488 3.565 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](C)C2CCN(C(C)C)CC2)cc1OC ZINC000271055174 1141301294 /nfs/dbraw/zinc/30/12/94/1141301294.db2.gz YUSCQBCSDMBFLF-UHFFFAOYSA-N 1 1 332.488 3.565 20 30 EHEDMO C=CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000271365470 1141351583 /nfs/dbraw/zinc/35/15/83/1141351583.db2.gz GBVWCUXMVZYXJS-CTXDPNEZSA-N 1 1 339.483 3.542 20 30 EHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c[nH]nc1-c1cccs1 ZINC000348655477 1141562867 /nfs/dbraw/zinc/56/28/67/1141562867.db2.gz YTTXHDDLKACDMK-UHFFFAOYSA-N 1 1 343.452 3.802 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c[nH]nc1-c1cccs1 ZINC000348655477 1141562873 /nfs/dbraw/zinc/56/28/73/1141562873.db2.gz YTTXHDDLKACDMK-UHFFFAOYSA-N 1 1 343.452 3.802 20 30 EHEDMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000072553294 216272996 /nfs/dbraw/zinc/27/29/96/216272996.db2.gz HLIJBWXVHKUDDC-UHFFFAOYSA-N 1 1 331.485 3.725 20 30 EHEDMO Cc1ccc(CC#N)c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164621728 719100582 /nfs/dbraw/zinc/10/05/82/719100582.db2.gz AONYASLXGRRAJH-RTWAWAEBSA-N 1 1 346.478 3.557 20 30 EHEDMO CCCCCCC[N@H+]1CCC[C@@H](NC(=O)c2cc(CC)c[nH]c2=O)C1 ZINC001266246532 1014154067 /nfs/dbraw/zinc/15/40/67/1014154067.db2.gz RJGYLGJNGVCWQA-QGZVFWFLSA-N 1 1 347.503 3.514 20 30 EHEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(Cc2cccc(OCCCC#N)c2)C[C@@H](C)C1 ZINC000430140960 1014298774 /nfs/dbraw/zinc/29/87/74/1014298774.db2.gz VWVCJJPIKIFLPZ-LQWHRVPQSA-N 1 1 341.499 3.531 20 30 EHEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000579727027 1014309187 /nfs/dbraw/zinc/30/91/87/1014309187.db2.gz MAXIQKQFRJYNRU-DJABAAGCSA-N 1 1 337.467 3.707 20 30 EHEDMO C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430173398 1014557252 /nfs/dbraw/zinc/55/72/52/1014557252.db2.gz FNQDTGHBOWHJMX-BEFAXECRSA-N 1 1 339.414 3.567 20 30 EHEDMO CCOc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000413358905 1014631562 /nfs/dbraw/zinc/63/15/62/1014631562.db2.gz NJWROJQNHBZLSH-IXDOHACOSA-N 1 1 343.471 3.593 20 30 EHEDMO C=CCc1cc(CN2CCC[N@H+](C3CCCC3)CC2)cc(OC)c1O ZINC000179769739 1015620387 /nfs/dbraw/zinc/62/03/87/1015620387.db2.gz VHDRKDWRFZFUGM-UHFFFAOYSA-N 1 1 344.499 3.580 20 30 EHEDMO N#CCc1ccc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000343738407 1032123478 /nfs/dbraw/zinc/12/34/78/1032123478.db2.gz DZEJACGDKBFEBK-INIZCTEOSA-N 1 1 348.372 3.805 20 30 EHEDMO C=CCCC[N@@H+]1CC[C@H]2O[C@H](COCc3csc(C)n3)CC[C@H]21 ZINC001209160670 1015873111 /nfs/dbraw/zinc/87/31/11/1015873111.db2.gz ANRDGIKBBRQVMR-RCCFBDPRSA-N 1 1 336.501 3.556 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)CCc1ccccc1 ZINC000052968589 1032134167 /nfs/dbraw/zinc/13/41/67/1032134167.db2.gz QAKIFKWJDSTZPE-UHFFFAOYSA-N 1 1 327.453 3.513 20 30 EHEDMO CC1(C)C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@@H]1O ZINC000278723595 1032140629 /nfs/dbraw/zinc/14/06/29/1032140629.db2.gz KVAUYSOGEOYHDD-NRFANRHFSA-N 1 1 348.490 3.979 20 30 EHEDMO C=CCCCCC[N@H+]1CCc2c(c(COCC)nn2CC2CC2)C1 ZINC001209422746 1016246320 /nfs/dbraw/zinc/24/63/20/1016246320.db2.gz GWVDQLYXUCMGBJ-UHFFFAOYSA-N 1 1 331.504 3.934 20 30 EHEDMO CCOC(=O)C[N@@H+](Cc1ccc(F)cc1)CC1CCC(C#N)CC1 ZINC001167261676 1016852052 /nfs/dbraw/zinc/85/20/52/1016852052.db2.gz GIKODLAEUNDSTF-UHFFFAOYSA-N 1 1 332.419 3.521 20 30 EHEDMO CCOC(=O)C[N@H+](Cc1ccc(F)cc1)CC1CCC(C#N)CC1 ZINC001167261676 1016852068 /nfs/dbraw/zinc/85/20/68/1016852068.db2.gz GIKODLAEUNDSTF-UHFFFAOYSA-N 1 1 332.419 3.521 20 30 EHEDMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000414564087 1016968105 /nfs/dbraw/zinc/96/81/05/1016968105.db2.gz XABQAKAQFSNQEZ-CQSZACIVSA-N 1 1 334.485 3.954 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cc(Cl)c3c(c2)OCCCO3)no1 ZINC000904660208 1032183416 /nfs/dbraw/zinc/18/34/16/1032183416.db2.gz OEIMOLDYDDTLIQ-CYBMUJFWSA-N 1 1 349.818 3.907 20 30 EHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000538150948 1032190702 /nfs/dbraw/zinc/19/07/02/1032190702.db2.gz SURPKQBYNFDGEG-GJZGRUSLSA-N 1 1 334.426 3.854 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(OC3CCOCC3)cc2)no1 ZINC000904673535 1032191182 /nfs/dbraw/zinc/19/11/82/1032191182.db2.gz JXTYZDZKJDJYFH-KRWDZBQOSA-N 1 1 343.427 3.651 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000485008724 1032234671 /nfs/dbraw/zinc/23/46/71/1032234671.db2.gz WWUDGJIJSAJPAX-AEFFLSMTSA-N 1 1 345.487 3.978 20 30 EHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000184094040 1032252803 /nfs/dbraw/zinc/25/28/03/1032252803.db2.gz CGUMTZVCTCCDQR-JTQLQIEISA-N 1 1 333.176 3.832 20 30 EHEDMO C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538364772 1032311496 /nfs/dbraw/zinc/31/14/96/1032311496.db2.gz JQCKJJVHYJAUGO-PKOBYXMFSA-N 1 1 329.488 3.647 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](CC)Cc1ccc(Cl)s1 ZINC000485203005 1032380370 /nfs/dbraw/zinc/38/03/70/1032380370.db2.gz LCNKRGVKRFXBIG-CYBMUJFWSA-N 1 1 326.893 3.813 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](CC)Cc1ccc(Cl)s1 ZINC000485203005 1032380384 /nfs/dbraw/zinc/38/03/84/1032380384.db2.gz LCNKRGVKRFXBIG-CYBMUJFWSA-N 1 1 326.893 3.813 20 30 EHEDMO C=CCCC[C@H](C)[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000537049275 1032503856 /nfs/dbraw/zinc/50/38/56/1032503856.db2.gz ZZFVHVXMCLYFPF-IBGZPJMESA-N 1 1 328.500 3.898 20 30 EHEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000053065132 1032575629 /nfs/dbraw/zinc/57/56/29/1032575629.db2.gz PVEGSQPDOMWUHI-MJGOQNOKSA-N 1 1 325.456 3.588 20 30 EHEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000592800764 1032585498 /nfs/dbraw/zinc/58/54/98/1032585498.db2.gz NDCAEYNPSSCKHO-SJLPKXTDSA-N 1 1 338.455 3.948 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000449496099 1032665426 /nfs/dbraw/zinc/66/54/26/1032665426.db2.gz GBEQJXMDSZPMCA-CQSZACIVSA-N 1 1 327.409 3.908 20 30 EHEDMO C[N@@H+](CCc1ccccc1)CC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000602157991 1032675507 /nfs/dbraw/zinc/67/55/07/1032675507.db2.gz FUWLSUUZJMEMJE-NRFANRHFSA-N 1 1 349.478 3.712 20 30 EHEDMO N#Cc1cc(F)ccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000377124207 1017353012 /nfs/dbraw/zinc/35/30/12/1017353012.db2.gz DCXPUMABWBNVLY-QHAWAJNXSA-N 1 1 336.410 3.702 20 30 EHEDMO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187297111 1017866692 /nfs/dbraw/zinc/86/66/92/1017866692.db2.gz UBIYCVZTDLZLRS-OAHLLOKOSA-N 1 1 343.862 3.764 20 30 EHEDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187297111 1017866715 /nfs/dbraw/zinc/86/67/15/1017866715.db2.gz UBIYCVZTDLZLRS-OAHLLOKOSA-N 1 1 343.862 3.764 20 30 EHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(C)(C)CC1 ZINC000556385606 1018220443 /nfs/dbraw/zinc/22/04/43/1018220443.db2.gz OGXBXSMRXANGPN-HNNXBMFYSA-N 1 1 345.512 3.999 20 30 EHEDMO C[C@@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000610346290 1018351231 /nfs/dbraw/zinc/35/12/31/1018351231.db2.gz SCOXRUXKUSTWGK-UTKZUKDTSA-N 1 1 347.462 3.963 20 30 EHEDMO C[C@H](NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)c1cccc(C#N)c1 ZINC000610363626 1018511284 /nfs/dbraw/zinc/51/12/84/1018511284.db2.gz MLAVGYSASLBYEP-SCLBCKFNSA-N 1 1 341.842 3.692 20 30 EHEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000123852366 1018524034 /nfs/dbraw/zinc/52/40/34/1018524034.db2.gz HHNRMWDZLWRVJG-GOSISDBHSA-N 1 1 344.499 3.626 20 30 EHEDMO C[C@H]1CCC[N@@H+](C(C)(C)CNCc2ccc(N(C)CCC#N)cc2)C1 ZINC000067222502 1018738958 /nfs/dbraw/zinc/73/89/58/1018738958.db2.gz ZLDXMTFEDVIHFT-SFHVURJKSA-N 1 1 342.531 3.637 20 30 EHEDMO C[C@H]1CCC[N@H+](C(C)(C)CNCc2ccc(N(C)CCC#N)cc2)C1 ZINC000067222502 1018738964 /nfs/dbraw/zinc/73/89/64/1018738964.db2.gz ZLDXMTFEDVIHFT-SFHVURJKSA-N 1 1 342.531 3.637 20 30 EHEDMO C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000580196650 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Cc1cc(C#N)ccc1C[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000614405664 1018985816 /nfs/dbraw/zinc/98/58/16/1018985816.db2.gz ABCSLPXWIRGGLY-INIZCTEOSA-N 1 1 325.481 3.807 20 30 EHEDMO COc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2Cl)ccc1C#N ZINC000579533977 1019008626 /nfs/dbraw/zinc/00/86/26/1019008626.db2.gz GNHUOSPVGRDMJP-LBPRGKRZSA-N 1 1 325.799 3.943 20 30 EHEDMO C=CC[N@H+](CCC(=O)N1CCc2ccccc21)Cc1ccccc1F ZINC000340637314 1019039086 /nfs/dbraw/zinc/03/90/86/1019039086.db2.gz GPGRJWKAIMGDCR-UHFFFAOYSA-N 1 1 338.426 3.793 20 30 EHEDMO CCCn1c(C[NH2+]Cc2ccc(OCC#N)cc2)nc2ccccc21 ZINC000172629735 1032829899 /nfs/dbraw/zinc/82/98/99/1032829899.db2.gz NPGJRJDGSBQDLA-UHFFFAOYSA-N 1 1 334.423 3.638 20 30 EHEDMO CC[N@H+](CCOc1ccc(Cl)cc1Br)C[C@H](C)C#N ZINC000513401589 1019621580 /nfs/dbraw/zinc/62/15/80/1019621580.db2.gz OEGBMOBHFHAYHO-LLVKDONJSA-N 1 1 345.668 3.963 20 30 EHEDMO CC[N@@H+](CCOc1ccc(Cl)cc1Br)C[C@H](C)C#N ZINC000513401589 1019621587 /nfs/dbraw/zinc/62/15/87/1019621587.db2.gz 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Cc1cc(C#N)ccc1C[N@H+](C)Cc1cc(Br)cn1C ZINC000186256840 1026356566 /nfs/dbraw/zinc/35/65/66/1026356566.db2.gz KMECDMBIBNVAHU-UHFFFAOYSA-N 1 1 332.245 3.600 20 30 EHEDMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H]3c3ccsc3)C2=O)cc1 ZINC000339139283 1026394033 /nfs/dbraw/zinc/39/40/33/1026394033.db2.gz XSDGPPYXQSUZTA-ROUUACIJSA-N 1 1 337.448 3.562 20 30 EHEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@H]3c3ccsc3)C2=O)cc1 ZINC000339139283 1026394048 /nfs/dbraw/zinc/39/40/48/1026394048.db2.gz XSDGPPYXQSUZTA-ROUUACIJSA-N 1 1 337.448 3.562 20 30 EHEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(Cl)c(C#N)s1 ZINC000288565023 1026401383 /nfs/dbraw/zinc/40/13/83/1026401383.db2.gz WNHCPCVCTMTKMV-CQSZACIVSA-N 1 1 346.887 3.626 20 30 EHEDMO C=CCc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)cc(OC)c1O ZINC000475281010 1026440050 /nfs/dbraw/zinc/44/00/50/1026440050.db2.gz BWXOPDONRHGBKE-FZMZJTMJSA-N 1 1 329.362 3.902 20 30 EHEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000342608178 1026451971 /nfs/dbraw/zinc/45/19/71/1026451971.db2.gz UVROFNTXMAHRRN-CBUFDYBVSA-N 1 1 339.483 3.707 20 30 EHEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000277690161 1026568075 /nfs/dbraw/zinc/56/80/75/1026568075.db2.gz LFMMGABZAQIORJ-KRWDZBQOSA-N 1 1 346.450 3.742 20 30 EHEDMO C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000479466717 1026632941 /nfs/dbraw/zinc/63/29/41/1026632941.db2.gz SELLKUZPVFUBOK-WMZOPIPTSA-N 1 1 337.442 3.870 20 30 EHEDMO C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000479466717 1026632957 /nfs/dbraw/zinc/63/29/57/1026632957.db2.gz SELLKUZPVFUBOK-WMZOPIPTSA-N 1 1 337.442 3.870 20 30 EHEDMO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000479466717 1026632963 /nfs/dbraw/zinc/63/29/63/1026632963.db2.gz SELLKUZPVFUBOK-WMZOPIPTSA-N 1 1 337.442 3.870 20 30 EHEDMO Cc1cc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc(C#N)n1 ZINC000342702009 1026763681 /nfs/dbraw/zinc/76/36/81/1026763681.db2.gz NVVALKNESDZIOE-UHFFFAOYSA-N 1 1 346.478 3.754 20 30 EHEDMO COCC[N@@H+](CCCc1ccccc1)Cc1ccc(C#N)cc1OC ZINC000501187143 1027130393 /nfs/dbraw/zinc/13/03/93/1027130393.db2.gz OGEKYPXCYXVMNU-UHFFFAOYSA-N 1 1 338.451 3.648 20 30 EHEDMO C#C[C@@H](C)Nc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000302396013 1027138979 /nfs/dbraw/zinc/13/89/79/1027138979.db2.gz KCCZPXNPKYWSGL-CYBMUJFWSA-N 1 1 336.464 3.854 20 30 EHEDMO Cc1c(C#N)cccc1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248753654 1027167413 /nfs/dbraw/zinc/16/74/13/1027167413.db2.gz GAKUILGOAUBHDT-FOIQADDNSA-N 1 1 348.450 3.509 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H](C)Cc1ccsc1 ZINC000187794250 1027223170 /nfs/dbraw/zinc/22/31/70/1027223170.db2.gz FJEPVAZHVSHWEX-CQSZACIVSA-N 1 1 327.453 3.511 20 30 EHEDMO N#Cc1c(F)cccc1C[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000428350580 1027285619 /nfs/dbraw/zinc/28/56/19/1027285619.db2.gz YRIYHFWKLYDFAM-UHFFFAOYSA-N 1 1 326.419 3.586 20 30 EHEDMO Cc1cc2ccccc2nc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000531760011 1027327303 /nfs/dbraw/zinc/32/73/03/1027327303.db2.gz GKINQWQFCIIEIJ-UHFFFAOYSA-N 1 1 342.446 3.737 20 30 EHEDMO C[C@H](CCC#N)C[N@@H+]1CCc2cc(F)c(Br)cc2C1 ZINC000897306506 1027436571 /nfs/dbraw/zinc/43/65/71/1027436571.db2.gz GTJFTMOZWWCXRE-LLVKDONJSA-N 1 1 325.225 3.886 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1CCc2cc(F)c(Br)cc2C1 ZINC000897306506 1027436579 /nfs/dbraw/zinc/43/65/79/1027436579.db2.gz GTJFTMOZWWCXRE-LLVKDONJSA-N 1 1 325.225 3.886 20 30 EHEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1C ZINC000501773048 1027526114 /nfs/dbraw/zinc/52/61/14/1027526114.db2.gz KFMVVZKHOHMHCO-UONOGXRCSA-N 1 1 345.512 3.805 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)ccc1OC ZINC000342833717 1027550204 /nfs/dbraw/zinc/55/02/04/1027550204.db2.gz AGGILBWKRNHVFO-QZTJIDSGSA-N 1 1 331.456 3.794 20 30 EHEDMO C[C@@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000129650080 1027585977 /nfs/dbraw/zinc/58/59/77/1027585977.db2.gz QGFDUQSYNVZVKE-IYVCXYCASA-N 1 1 337.511 3.853 20 30 EHEDMO C[C@@H](NC1CC(C#N)(c2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000129650080 1027585984 /nfs/dbraw/zinc/58/59/84/1027585984.db2.gz QGFDUQSYNVZVKE-IYVCXYCASA-N 1 1 337.511 3.853 20 30 EHEDMO C[C@@H](NC1CC(C#N)(c2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000129650080 1027585992 /nfs/dbraw/zinc/58/59/92/1027585992.db2.gz QGFDUQSYNVZVKE-IYVCXYCASA-N 1 1 337.511 3.853 20 30 EHEDMO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046529805 1027725117 /nfs/dbraw/zinc/72/51/17/1027725117.db2.gz CTOXLWCANIVYAA-LBPRGKRZSA-N 1 1 345.805 3.810 20 30 EHEDMO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046529805 1027725132 /nfs/dbraw/zinc/72/51/32/1027725132.db2.gz CTOXLWCANIVYAA-LBPRGKRZSA-N 1 1 345.805 3.810 20 30 EHEDMO C[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001167621560 1027837842 /nfs/dbraw/zinc/83/78/42/1027837842.db2.gz SVWFLFSODNSUBM-CYBMUJFWSA-N 1 1 339.826 3.769 20 30 EHEDMO C[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001167621560 1027837856 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EHEDMO C=CCOc1cccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000483216375 1031042652 /nfs/dbraw/zinc/04/26/52/1031042652.db2.gz UYFDXOLSROYYLM-INIZCTEOSA-N 1 1 328.456 3.845 20 30 EHEDMO Clc1cccc(C#CC[NH+]2CCC(Nc3ccccn3)CC2)c1 ZINC000551173719 1031072862 /nfs/dbraw/zinc/07/28/62/1031072862.db2.gz LMQWDIGHCLREFZ-UHFFFAOYSA-N 1 1 325.843 3.663 20 30 EHEDMO COc1ccc(CC[N@@H+](Cc2cc(C#N)n(C)c2)CC(C)(C)C)cc1 ZINC000483277921 1031082496 /nfs/dbraw/zinc/08/24/96/1031082496.db2.gz ANVMQZZPZCETIK-UHFFFAOYSA-N 1 1 339.483 3.996 20 30 EHEDMO CC[N@H+](CCC#N)CCCc1ccc(Br)cc1OC ZINC000343538155 1031301722 /nfs/dbraw/zinc/30/17/22/1031301722.db2.gz NJMZDUPCWMHMML-UHFFFAOYSA-N 1 1 325.250 3.626 20 30 EHEDMO Cc1ccccc1C[N@@H+](CCC(=O)Nc1sccc1C#N)C1CC1 ZINC000343568067 1031415397 /nfs/dbraw/zinc/41/53/97/1031415397.db2.gz YHYLMPVBZCQREM-UHFFFAOYSA-N 1 1 339.464 3.921 20 30 EHEDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000475716302 1031480126 /nfs/dbraw/zinc/48/01/26/1031480126.db2.gz 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CC(C)(C#N)C[C@H](O)C[N@@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000598592636 1033316572 /nfs/dbraw/zinc/31/65/72/1033316572.db2.gz KSNJNGWVIGVTLF-IBGZPJMESA-N 1 1 332.463 3.914 20 30 EHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000598597225 1033319588 /nfs/dbraw/zinc/31/95/88/1033319588.db2.gz YAGLBJDBPFZSTC-APWZRJJASA-N 1 1 325.456 3.996 20 30 EHEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598618666 1033330067 /nfs/dbraw/zinc/33/00/67/1033330067.db2.gz ZMTUAHXKUFGVIB-RYRKJORJSA-N 1 1 330.472 3.769 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[NH2+][C@@H](C(F)F)C2CCCCC2)cc1 ZINC000598651107 1033366134 /nfs/dbraw/zinc/36/61/34/1033366134.db2.gz WFRRGPGOPPNPEZ-QGZVFWFLSA-N 1 1 335.398 3.690 20 30 EHEDMO C[C@H]1[C@@H](Nc2ncc(C#N)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000340816928 1033405700 /nfs/dbraw/zinc/40/57/00/1033405700.db2.gz GPZZAUYBHLWIGD-GUYCJALGSA-N 1 1 326.831 3.682 20 30 EHEDMO C[N@@H+](Cc1cn(Cc2ccc(Cl)cc2C#N)nn1)C1CCCCC1 ZINC000603244100 1033451575 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COCCOc1ccc([C@H](C)[NH2+]CC2(C#N)CCCCC2)cc1OC ZINC000595091237 1033701826 /nfs/dbraw/zinc/70/18/26/1033701826.db2.gz OLFQTDJNGVMGMM-INIZCTEOSA-N 1 1 346.471 3.845 20 30 EHEDMO C#CCC1(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001126789771 1033707534 /nfs/dbraw/zinc/70/75/34/1033707534.db2.gz DFJNXIIGLQMTLL-IBGZPJMESA-N 1 1 340.511 3.987 20 30 EHEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000595291980 1033719512 /nfs/dbraw/zinc/71/95/12/1033719512.db2.gz NSMYFQQAABKZCP-IBGZPJMESA-N 1 1 334.419 3.709 20 30 EHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCCN(c3cccc(F)c3F)CC2)c1 ZINC000595506333 1033833533 /nfs/dbraw/zinc/83/35/33/1033833533.db2.gz FNGAPOVXLNMIBR-UHFFFAOYSA-N 1 1 345.368 3.688 20 30 EHEDMO N#Cc1ccc(F)c(C[N@H+]2CCCN(c3cccc(F)c3F)CC2)c1 ZINC000595506333 1033833546 /nfs/dbraw/zinc/83/35/46/1033833546.db2.gz FNGAPOVXLNMIBR-UHFFFAOYSA-N 1 1 345.368 3.688 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCCN(c3cccc(F)c3F)CC2)c1 ZINC000595505026 1033833985 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EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C3CCC3)C2)c(C#N)c1C ZINC000595837187 1034001639 /nfs/dbraw/zinc/00/16/39/1034001639.db2.gz OVKKNAWAUHNSMI-CZUORRHYSA-N 1 1 329.444 3.607 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000595844423 1034005708 /nfs/dbraw/zinc/00/57/08/1034005708.db2.gz DTXCVMCABFBBCB-MELADBBJSA-N 1 1 341.480 3.618 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000595844423 1034005719 /nfs/dbraw/zinc/00/57/19/1034005719.db2.gz DTXCVMCABFBBCB-MELADBBJSA-N 1 1 341.480 3.618 20 30 EHEDMO CC[C@H](c1ccccc1)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C(C)C ZINC000595858538 1034010789 /nfs/dbraw/zinc/01/07/89/1034010789.db2.gz VJJOABFKWSHJTN-QUCCMNQESA-N 1 1 327.472 3.657 20 30 EHEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2CCc2ccccc2)c1 ZINC000603895470 1034018147 /nfs/dbraw/zinc/01/81/47/1034018147.db2.gz DJAOWXGEQOHSCA-HXUWFJFHSA-N 1 1 333.435 3.594 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599583938 1034025057 /nfs/dbraw/zinc/02/50/57/1034025057.db2.gz SWOQNVLMBBUMLS-QAPCUYQASA-N 1 1 328.456 3.552 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599591218 1034029601 /nfs/dbraw/zinc/02/96/01/1034029601.db2.gz TXMMBPLMRRCZHB-MAUKXSAKSA-N 1 1 328.456 3.666 20 30 EHEDMO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CCOCCC#N ZINC000599649666 1034070211 /nfs/dbraw/zinc/07/02/11/1034070211.db2.gz CPFUTSCERHZYNH-ZFWWWQNUSA-N 1 1 337.261 3.557 20 30 EHEDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)Cc2ccccc21 ZINC000599666227 1034075724 /nfs/dbraw/zinc/07/57/24/1034075724.db2.gz MIFBGTPURKFMFD-FQEVSTJZSA-N 1 1 348.446 3.760 20 30 EHEDMO N#Cc1cc2cccnc2nc1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000596128676 1034084995 /nfs/dbraw/zinc/08/49/95/1034084995.db2.gz IXOQXHYBWAYKJJ-IBGZPJMESA-N 1 1 343.434 3.578 20 30 EHEDMO C[C@@H]1[C@@H](Nc2nc3ncccc3cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000596234683 1034129007 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3.929 20 30 EHEDMO CC[N@@H+](CCCNC(=O)c1c(F)cc(C#N)cc1F)C1CCCCC1 ZINC000593248797 1034477456 /nfs/dbraw/zinc/47/74/56/1034477456.db2.gz DUTAGWDBCZDSNE-UHFFFAOYSA-N 1 1 349.425 3.611 20 30 EHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(C)o1 ZINC000604776387 1034489020 /nfs/dbraw/zinc/48/90/20/1034489020.db2.gz YJPJPSSKEAYFSA-OALUTQOASA-N 1 1 341.451 3.893 20 30 EHEDMO Cc1c(Br)cc(C[NH2+]C[C@H](C)C#N)cc1Br ZINC000390229100 1034556534 /nfs/dbraw/zinc/55/65/34/1034556534.db2.gz CEKQCVFZLXFFCR-MRVPVSSYSA-N 1 1 346.066 3.769 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000597157024 1034570172 /nfs/dbraw/zinc/57/01/72/1034570172.db2.gz DKRJEAKGBTUVFK-HRAATJIYSA-N 1 1 336.435 3.919 20 30 EHEDMO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+]1CC(CC#N)C1 ZINC000597193646 1034579410 /nfs/dbraw/zinc/57/94/10/1034579410.db2.gz JYSDKJKGSZHMNA-UHFFFAOYSA-N 1 1 328.847 3.547 20 30 EHEDMO C=CC[N@H+](Cc1ccc(CC)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000604998597 1034583055 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C=CCC(C)(C)CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000458805777 1035441712 /nfs/dbraw/zinc/44/17/12/1035441712.db2.gz AWRBLZFPFCYVGF-ROUUACIJSA-N 1 1 335.536 3.885 20 30 EHEDMO C=C(C[NH2+]Cc1cc(O)c(OC)cc1Br)c1ccccc1 ZINC000492266668 1035561719 /nfs/dbraw/zinc/56/17/19/1035561719.db2.gz CQPGNQWBCUWRKD-UHFFFAOYSA-N 1 1 348.240 3.966 20 30 EHEDMO N#CCc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000534804909 1035641494 /nfs/dbraw/zinc/64/14/94/1035641494.db2.gz CBLAQXITCOBNCF-HXUWFJFHSA-N 1 1 339.483 3.527 20 30 EHEDMO C[C@H]1CCN(C(=O)C2(C#N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000173532162 1035666354 /nfs/dbraw/zinc/66/63/54/1035666354.db2.gz SHMUEYQSTQFPQI-SFHVURJKSA-N 1 1 339.483 3.583 20 30 EHEDMO N#CCCCCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000588154868 1035729964 /nfs/dbraw/zinc/72/99/64/1035729964.db2.gz ZSECWLPSXCIZQI-IBGZPJMESA-N 1 1 327.472 3.631 20 30 EHEDMO N#CCCCCCC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000588166679 1035737425 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C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc2ccccc2[nH]c1=O ZINC000111208229 1041534445 /nfs/dbraw/zinc/53/44/45/1041534445.db2.gz FAZVJYRHHROZQY-UHFFFAOYSA-N 1 1 349.390 3.625 20 30 EHEDMO CCOc1c(Br)cc(C[NH2+][C@@H](CC)CC#N)cc1OC ZINC000054183449 1041552730 /nfs/dbraw/zinc/55/27/30/1041552730.db2.gz MNXIQWXEQHIODC-LBPRGKRZSA-N 1 1 341.249 3.638 20 30 EHEDMO C=CCC(C)(C)CNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000432096375 1041585282 /nfs/dbraw/zinc/58/52/82/1041585282.db2.gz SETOIQAVCRSXMT-UHFFFAOYSA-N 1 1 344.434 3.721 20 30 EHEDMO C=CC[C@@H]1CC[C@H](Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)C1 ZINC000651779214 1042023575 /nfs/dbraw/zinc/02/35/75/1042023575.db2.gz YTPNOTNILZZYEK-QUCCMNQESA-N 1 1 341.499 3.507 20 30 EHEDMO C=CC[N@@H+](Cc1coc(-c2ccc(OCC)cc2)n1)[C@@H](C)COC ZINC000661241809 1042023883 /nfs/dbraw/zinc/02/38/83/1042023883.db2.gz HKAVUVLXTGTGDJ-HNNXBMFYSA-N 1 1 330.428 3.763 20 30 EHEDMO C=CC[N@H+](Cc1coc(-c2ccc(OCC)cc2)n1)[C@@H](C)COC ZINC000661241809 1042023888 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C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000278890535 1042847218 /nfs/dbraw/zinc/84/72/18/1042847218.db2.gz ISQXZKNVDLTZQN-SNVBAGLBSA-N 1 1 341.358 3.763 20 30 EHEDMO C=CC[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000636910151 1042863073 /nfs/dbraw/zinc/86/30/73/1042863073.db2.gz QIPDQLPOYGTBFT-DOTOQJQBSA-N 1 1 338.455 3.849 20 30 EHEDMO O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000330305315 1042873356 /nfs/dbraw/zinc/87/33/56/1042873356.db2.gz QOMBFWOIXNBMMX-INIZCTEOSA-N 1 1 330.428 3.669 20 30 EHEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@H](C3CC3)C2)c2ccccc21 ZINC000344058570 1043178870 /nfs/dbraw/zinc/17/88/70/1043178870.db2.gz KZZJKPIGLNHRBI-QGZVFWFLSA-N 1 1 335.451 3.860 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000344071475 1043211262 /nfs/dbraw/zinc/21/12/62/1043211262.db2.gz QPCAHBTXMZLCMM-HZPDHXFCSA-N 1 1 345.462 3.829 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000344085575 1043223619 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COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000610132278 1123739254 /nfs/dbraw/zinc/73/92/54/1123739254.db2.gz LNHJMPQAXNJYHP-LJQANCHMSA-N 1 1 336.435 3.955 20 30 EHEDMO C[C@H](C#N)Oc1ccc(CNCCC[N@@H+](C)C2CCCCC2)cc1 ZINC000237567451 1123775676 /nfs/dbraw/zinc/77/56/76/1123775676.db2.gz FAXQASQGRKPIIW-QGZVFWFLSA-N 1 1 329.488 3.722 20 30 EHEDMO N#Cc1cc(F)ccc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179733261 1123839115 /nfs/dbraw/zinc/83/91/15/1123839115.db2.gz XDCGZHQLXDNASW-HXUWFJFHSA-N 1 1 338.382 3.709 20 30 EHEDMO N#CC1(c2ccc(C(=O)O[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000180045624 1123926626 /nfs/dbraw/zinc/92/66/26/1123926626.db2.gz USWVBZVGTMTISH-HXUWFJFHSA-N 1 1 346.430 3.673 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245843466 1123960172 /nfs/dbraw/zinc/96/01/72/1123960172.db2.gz IDXDNPKFVNCWRJ-ZWKOTPCHSA-N 1 1 344.524 3.974 20 30 EHEDMO C=CCCCCCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000616697357 1124025541 /nfs/dbraw/zinc/02/55/41/1124025541.db2.gz ZEOSDQFMVPVLOG-UHFFFAOYSA-N 1 1 325.456 3.632 20 30 EHEDMO C=CCCCCCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000616697357 1124025545 /nfs/dbraw/zinc/02/55/45/1124025545.db2.gz ZEOSDQFMVPVLOG-UHFFFAOYSA-N 1 1 325.456 3.632 20 30 EHEDMO C=CC[C@@H](NC(=O)NCCC[N@H+](C)C1CCCCC1)c1ccncc1 ZINC000734658925 1131263977 /nfs/dbraw/zinc/26/39/77/1131263977.db2.gz OEMITNLZHBDUMF-LJQANCHMSA-N 1 1 344.503 3.653 20 30 EHEDMO Cc1[nH]c2ccc(Nc3c(C#N)cnn3-c3ccc(C)cc3)cc2[nH+]1 ZINC001213070355 1124480840 /nfs/dbraw/zinc/48/08/40/1124480840.db2.gz MCLAMEXOIGYIPO-UHFFFAOYSA-N 1 1 328.379 3.981 20 30 EHEDMO C=CC[C@@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccncc1 ZINC000734657396 1131263210 /nfs/dbraw/zinc/26/32/10/1131263210.db2.gz DYOWNIAPHQMGEB-IEBWSBKVSA-N 1 1 344.503 3.510 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(C(F)(F)F)ccc2F)no1 ZINC001212325488 1124669305 /nfs/dbraw/zinc/66/93/05/1124669305.db2.gz SGMACMKESYICMM-LBPRGKRZSA-N 1 1 327.281 3.698 20 30 EHEDMO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)CCC1 ZINC000618351994 1125051752 /nfs/dbraw/zinc/05/17/52/1125051752.db2.gz DYQWFQURUIXBEW-LJQANCHMSA-N 1 1 326.484 3.508 20 30 EHEDMO C=CC[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000618665484 1125148312 /nfs/dbraw/zinc/14/83/12/1125148312.db2.gz JEWWWYVQTYEJQM-QUCCMNQESA-N 1 1 326.484 3.870 20 30 EHEDMO CC[C@@H](C)[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000387418895 1125155512 /nfs/dbraw/zinc/15/55/12/1125155512.db2.gz UUMRVRMFXQIUAS-YLJYHZDGSA-N 1 1 338.451 3.599 20 30 EHEDMO N#CC1(CCC[N@H+]2CCCO[C@H](c3ccccc3)C2)CCOCC1 ZINC000619620197 1125374728 /nfs/dbraw/zinc/37/47/28/1125374728.db2.gz LLOPLJHJKQBDPV-IBGZPJMESA-N 1 1 328.456 3.551 20 30 EHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000466351749 1129397506 /nfs/dbraw/zinc/39/75/06/1129397506.db2.gz GEKXPXPMNYDPTQ-WMLDXEAASA-N 1 1 336.395 3.714 20 30 EHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cc(C#N)cn2C)c1 ZINC000081534721 1129426522 /nfs/dbraw/zinc/42/65/22/1129426522.db2.gz IILIFPICQLQPQW-UHFFFAOYSA-N 1 1 347.422 3.517 20 30 EHEDMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000118393697 1129507853 /nfs/dbraw/zinc/50/78/53/1129507853.db2.gz FPBLPAJLTMAXFX-LPHOPBHVSA-N 1 1 348.450 3.673 20 30 EHEDMO CC(C)[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H](C)c1ccccc1 ZINC000428860665 1129542876 /nfs/dbraw/zinc/54/28/76/1129542876.db2.gz HKUINJBNHVRDFR-QGZVFWFLSA-N 1 1 327.472 3.801 20 30 EHEDMO N#Cc1cnc2ccccc2c1N1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000330313582 1129633858 /nfs/dbraw/zinc/63/38/58/1129633858.db2.gz XHPGGCDSDFPQAP-INIZCTEOSA-N 1 1 343.434 3.633 20 30 EHEDMO C[N@H+](Cc1ccc(C#N)cc1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000125269586 1129675697 /nfs/dbraw/zinc/67/56/97/1129675697.db2.gz RFQCWWSEIOUGGP-OAQYLSRUSA-N 1 1 347.462 3.744 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000125269586 1129675699 /nfs/dbraw/zinc/67/56/99/1129675699.db2.gz RFQCWWSEIOUGGP-OAQYLSRUSA-N 1 1 347.462 3.744 20 30 EHEDMO CC(C)[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1cnn(C)c1 ZINC000922890502 1129749826 /nfs/dbraw/zinc/74/98/26/1129749826.db2.gz NEZMDCGEUVFZHI-INIZCTEOSA-N 1 1 347.260 3.541 20 30 EHEDMO Cc1nc(N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)sc1C ZINC000157464275 1129762373 /nfs/dbraw/zinc/76/23/73/1129762373.db2.gz GHWBMKWPBQJSAN-CQSZACIVSA-N 1 1 326.469 3.515 20 30 EHEDMO CC(C)[N@@H+](Cc1cnn(C)c1C(F)(F)F)Cc1ccc(C#N)cc1 ZINC000134155266 1129983372 /nfs/dbraw/zinc/98/33/72/1129983372.db2.gz LSVWISLFZMBJIC-UHFFFAOYSA-N 1 1 336.361 3.721 20 30 EHEDMO C=CC[C@@H]1CC[N@@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)C1 ZINC000625705443 1129986640 /nfs/dbraw/zinc/98/66/40/1129986640.db2.gz VNXOPBSTLRNAGE-OAHLLOKOSA-N 1 1 341.480 3.722 20 30 EHEDMO CC(C)(C#N)C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000164686529 1129988382 /nfs/dbraw/zinc/98/83/82/1129988382.db2.gz CESVHTNMLKZOSR-UHFFFAOYSA-N 1 1 346.066 3.851 20 30 EHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000429236063 1130163165 /nfs/dbraw/zinc/16/31/65/1130163165.db2.gz HDQBWYXYKPMHFL-KRWDZBQOSA-N 1 1 337.385 3.805 20 30 EHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCOC[C@H](C3CCC3)C2)cc1 ZINC000429236066 1130163960 /nfs/dbraw/zinc/16/39/60/1130163960.db2.gz HDQBWYXYKPMHFL-QGZVFWFLSA-N 1 1 337.385 3.805 20 30 EHEDMO C#CC[N@H+](CCCF)[C@@H]1CCOc2ccc(Br)cc21 ZINC000766071372 1130197182 /nfs/dbraw/zinc/19/71/82/1130197182.db2.gz XBHPHWYQEFPTSE-CQSZACIVSA-N 1 1 326.209 3.568 20 30 EHEDMO C[C@@H]1c2ccccc2CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173710067 1130289883 /nfs/dbraw/zinc/28/98/83/1130289883.db2.gz BAYNFNHXKMVIBI-CQSZACIVSA-N 1 1 330.391 3.728 20 30 EHEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173710067 1130289887 /nfs/dbraw/zinc/28/98/87/1130289887.db2.gz BAYNFNHXKMVIBI-CQSZACIVSA-N 1 1 330.391 3.728 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000245975580 1130335986 /nfs/dbraw/zinc/33/59/86/1130335986.db2.gz WYGBPLRJJAEIDU-MJGOQNOKSA-N 1 1 339.483 3.593 20 30 EHEDMO COc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccnc2)cc1C#N ZINC000174345580 1130352615 /nfs/dbraw/zinc/35/26/15/1130352615.db2.gz VMQJSTNUILEZDO-NRFANRHFSA-N 1 1 329.403 3.841 20 30 EHEDMO CC[N@H+](CC(=O)Nc1cc(F)ccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000042741959 1130400581 /nfs/dbraw/zinc/40/05/81/1130400581.db2.gz JRXJSAOCYKEHPJ-CYBMUJFWSA-N 1 1 343.377 3.858 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1cc(F)ccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000042741959 1130400583 /nfs/dbraw/zinc/40/05/83/1130400583.db2.gz JRXJSAOCYKEHPJ-CYBMUJFWSA-N 1 1 343.377 3.858 20 30 EHEDMO N#CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)cc1 ZINC000731212272 1130777601 /nfs/dbraw/zinc/77/76/01/1130777601.db2.gz CHWULSYCLDVIHP-NHCUHLMSSA-N 1 1 336.435 3.677 20 30 EHEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(OCC#N)cc1)CCC2 ZINC000732214984 1130899289 /nfs/dbraw/zinc/89/92/89/1130899289.db2.gz ZIZWAKBLICOZCL-QGZVFWFLSA-N 1 1 327.453 3.863 20 30 EHEDMO C[C@@H](C(=O)OCCCCC#N)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732396708 1130921822 /nfs/dbraw/zinc/92/18/22/1130921822.db2.gz JJGJOQNMSQSKMW-KRWDZBQOSA-N 1 1 328.456 3.567 20 30 EHEDMO C=CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000732469946 1130927546 /nfs/dbraw/zinc/92/75/46/1130927546.db2.gz WUCNGDQGYLTYCZ-IHWFROFDSA-N 1 1 341.499 3.788 20 30 EHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000347945025 1131098080 /nfs/dbraw/zinc/09/80/80/1131098080.db2.gz HQHHNXBLLZBYBS-UHFFFAOYSA-N 1 1 332.403 3.619 20 30 EHEDMO C=CCOCCC[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000348056240 1131143861 /nfs/dbraw/zinc/14/38/61/1131143861.db2.gz QWHQBIPLWPPNRW-INIZCTEOSA-N 1 1 345.418 3.648 20 30 EHEDMO C=CCCCCC[N@@H+](C)CN1C(=O)CN(/C=C\c2ccccc2)C1=O ZINC000739887697 1131512458 /nfs/dbraw/zinc/51/24/58/1131512458.db2.gz YUNTZEUSSRYWRD-SQFISAMPSA-N 1 1 341.455 3.557 20 30 EHEDMO C=CCCCCC[N@H+](C)CN1C(=O)CN(/C=C\c2ccccc2)C1=O ZINC000739887697 1131512462 /nfs/dbraw/zinc/51/24/62/1131512462.db2.gz YUNTZEUSSRYWRD-SQFISAMPSA-N 1 1 341.455 3.557 20 30 EHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cn2ccc(-c3ccc(C#N)cc3)n2)C1(C)C ZINC000740861265 1131547664 /nfs/dbraw/zinc/54/76/64/1131547664.db2.gz MFXBZKZZVUEQLY-RTBURBONSA-N 1 1 338.455 3.515 20 30 EHEDMO Cc1cc(=O)oc2cc(OCC[N@H+](CCC#N)CC(C)(C)C)ccc12 ZINC000740877466 1131552030 /nfs/dbraw/zinc/55/20/30/1131552030.db2.gz PFRRVPIGMRLHON-UHFFFAOYSA-N 1 1 342.439 3.742 20 30 EHEDMO Cc1cc(=O)oc2cc(OCC[N@@H+](CCC#N)CC(C)(C)C)ccc12 ZINC000740877466 1131552034 /nfs/dbraw/zinc/55/20/34/1131552034.db2.gz PFRRVPIGMRLHON-UHFFFAOYSA-N 1 1 342.439 3.742 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741157128 1131581102 /nfs/dbraw/zinc/58/11/02/1131581102.db2.gz SXCVKFJBXISFSK-SFHVURJKSA-N 1 1 330.472 3.932 20 30 EHEDMO C[C@@H]1CC(=NNC(=S)Nc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000741458599 1131604639 /nfs/dbraw/zinc/60/46/39/1131604639.db2.gz UHSQEDLHLWDUHO-SECBINFHSA-N 1 1 345.299 3.750 20 30 EHEDMO CC[N@H+]1CCC(N=Nc2ncc(C(F)(F)F)cc2Cl)[C@H](C)C1 ZINC000741452006 1131607740 /nfs/dbraw/zinc/60/77/40/1131607740.db2.gz TYTFBFBEBRWARO-SECBINFHSA-N 1 1 334.773 3.883 20 30 EHEDMO COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1[C@H](C)CCCC#N ZINC001172499046 1131760118 /nfs/dbraw/zinc/76/01/18/1131760118.db2.gz URYWYFRBRYRORT-BHIYHBOVSA-N 1 1 328.456 3.880 20 30 EHEDMO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+]([C@@H](C)CCCC#N)C1)C2 ZINC001172498905 1131760246 /nfs/dbraw/zinc/76/02/46/1131760246.db2.gz SQZLGDXOTOJFOM-YRISNDGFSA-N 1 1 340.467 3.664 20 30 EHEDMO CCCCCCC[C@@H](CCC)[NH+]1CC2(C1)[C@@H](CF)CCS2(=O)=O ZINC001172512127 1131765038 /nfs/dbraw/zinc/76/50/38/1131765038.db2.gz ZMEHYIJAAVAZFR-IAGOWNOFSA-N 1 1 347.540 3.974 20 30 EHEDMO CCOc1ccc(O)c(/C=N\[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000743044118 1131842855 /nfs/dbraw/zinc/84/28/55/1131842855.db2.gz FQQCJGDCPRGEEW-IQJJTXKVSA-N 1 1 349.434 3.927 20 30 EHEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172903569 1131886721 /nfs/dbraw/zinc/88/67/21/1131886721.db2.gz HJERSZKDYHFBRB-FQEVSTJZSA-N 1 1 347.418 3.772 20 30 EHEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](C1CCC(OCCC)CC1)CC2 ZINC001173098233 1131953901 /nfs/dbraw/zinc/95/39/01/1131953901.db2.gz JUONPJRAUMCSJT-GZNCHQMQSA-N 1 1 348.531 3.757 20 30 EHEDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)CN1C(=O)OC(C)(C)C ZINC001173077419 1131957029 /nfs/dbraw/zinc/95/70/29/1131957029.db2.gz QQQOCVBRLLCKRZ-CRAIPNDOSA-N 1 1 343.471 3.778 20 30 EHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000743842077 1131982015 /nfs/dbraw/zinc/98/20/15/1131982015.db2.gz BGSFJFNBGBZARJ-HXUWFJFHSA-N 1 1 340.423 3.933 20 30 EHEDMO C=CCOC1CCC([NH2+][C@@H](CC(C)C)C(=O)OC(C)(C)C)CC1 ZINC001173312727 1132037175 /nfs/dbraw/zinc/03/71/75/1132037175.db2.gz KZXGWJZUEPDKNH-JCYILVPMSA-N 1 1 325.493 3.846 20 30 EHEDMO C=CCOC1CCC([N@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)CC1 ZINC001173321936 1132045755 /nfs/dbraw/zinc/04/57/55/1132045755.db2.gz SGWFNZLSIWZGSX-GPANFISMSA-N 1 1 325.449 3.526 20 30 EHEDMO C#CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)C1CCCCC1 ZINC000744213800 1132046431 /nfs/dbraw/zinc/04/64/31/1132046431.db2.gz DZVRRACATXHUIU-HNNXBMFYSA-N 1 1 332.875 3.785 20 30 EHEDMO C=CCOC1CCC([N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC001173327124 1132047833 /nfs/dbraw/zinc/04/78/33/1132047833.db2.gz GGOLCKAAGRIPFM-OVESXRPUSA-N 1 1 340.511 3.707 20 30 EHEDMO C=CCOC1CCC([N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001173325417 1132047967 /nfs/dbraw/zinc/04/79/67/1132047967.db2.gz MGNBFZSUQLFJDK-GRERDSQWSA-N 1 1 340.467 3.915 20 30 EHEDMO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1C1CCC(CC#N)CC1 ZINC001173330907 1132049712 /nfs/dbraw/zinc/04/97/12/1132049712.db2.gz HMIYARQFNUKRAI-GTPINHCMSA-N 1 1 335.492 3.790 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C3CCC(CC#N)CC3)C[C@@H]2C1 ZINC001173337317 1132053168 /nfs/dbraw/zinc/05/31/68/1132053168.db2.gz GYHPTBSEWZRAIF-UMQBVGHOSA-N 1 1 347.503 3.648 20 30 EHEDMO COC(=O)CCCC[C@H](C)[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001173460164 1132083403 /nfs/dbraw/zinc/08/34/03/1132083403.db2.gz RFDXWLYFCZIHHN-LPHOPBHVSA-N 1 1 344.455 3.523 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173594270 1132099261 /nfs/dbraw/zinc/09/92/61/1132099261.db2.gz XPJIXAIUSJTIPY-RRWXTXHCSA-N 1 1 347.503 3.934 20 30 EHEDMO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCC(C)(C#N)CC1 ZINC001173600304 1132101622 /nfs/dbraw/zinc/10/16/22/1132101622.db2.gz YXVVYTGNLXOVDP-WLKFAXFPSA-N 1 1 347.503 3.979 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[N@H+](C2CCC(C)(C#N)CC2)CC12CC2 ZINC001173599154 1132101942 /nfs/dbraw/zinc/10/19/42/1132101942.db2.gz GYQMKZDQEHRWLS-UHFFFAOYSA-N 1 1 333.476 3.544 20 30 EHEDMO C#CCOc1ccccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379647195 1132198498 /nfs/dbraw/zinc/19/84/98/1132198498.db2.gz KDWRNKSSTBMHNR-SIKLNZKXSA-N 1 1 348.490 3.841 20 30 EHEDMO C#CCOc1ccccc1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379647195 1132198501 /nfs/dbraw/zinc/19/85/01/1132198501.db2.gz KDWRNKSSTBMHNR-SIKLNZKXSA-N 1 1 348.490 3.841 20 30 EHEDMO N#Cc1cn(C2=CCC[N@@H+](Cc3ccccc3)C2)c2cc(N)ccc12 ZINC001174395205 1132331972 /nfs/dbraw/zinc/33/19/72/1132331972.db2.gz UNVSFVIUGNNOBG-UHFFFAOYSA-N 1 1 328.419 3.842 20 30 EHEDMO Cn1cc(-c2ccc(Nc3sc4c(c3C#N)CC[N@H+](C)C4)cc2)cn1 ZINC001174376867 1132341417 /nfs/dbraw/zinc/34/14/17/1132341417.db2.gz JXTXHKKLCYEBOD-UHFFFAOYSA-N 1 1 349.463 3.752 20 30 EHEDMO C=C[C@H](C)NC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001687509531 1132511301 /nfs/dbraw/zinc/51/13/01/1132511301.db2.gz OECRVMXFFHKTFU-KRWDZBQOSA-N 1 1 329.488 3.695 20 30 EHEDMO N#Cc1cccc(C[NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)c1F ZINC001175340204 1132644670 /nfs/dbraw/zinc/64/46/70/1132644670.db2.gz HPPCSKOPJOBHFP-HNNXBMFYSA-N 1 1 338.304 3.539 20 30 EHEDMO C=CCn1ccc2c1nc[nH+]c2N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001169759207 1132849617 /nfs/dbraw/zinc/84/96/17/1132849617.db2.gz WSQYNTKFHFGGSO-SJLPKXTDSA-N 1 1 334.423 3.950 20 30 EHEDMO Cc1ccc([C@@H](C#N)c2ccc(NCC[C@H]3CCC[N@H+](C)C3)nn2)cc1 ZINC001156379787 1132865751 /nfs/dbraw/zinc/86/57/51/1132865751.db2.gz BBBGERFZFBRXHF-IEBWSBKVSA-N 1 1 349.482 3.584 20 30 EHEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H]2c3ccccc3CNC2=O)cc1 ZINC001169888868 1132880938 /nfs/dbraw/zinc/88/09/38/1132880938.db2.gz NJFMGGJEPLSGEH-RTWAWAEBSA-N 1 1 347.462 3.793 20 30 EHEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@@H]2c3ccccc3CNC2=O)cc1 ZINC001169888866 1132881522 /nfs/dbraw/zinc/88/15/22/1132881522.db2.gz NJFMGGJEPLSGEH-NHCUHLMSSA-N 1 1 347.462 3.793 20 30 EHEDMO COc1cc(C#N)ccc1C[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000766900384 1132906790 /nfs/dbraw/zinc/90/67/90/1132906790.db2.gz CEKZZRFOFNKDSI-WHSLLNHNSA-N 1 1 336.435 3.917 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000766900384 1132906797 /nfs/dbraw/zinc/90/67/97/1132906797.db2.gz CEKZZRFOFNKDSI-WHSLLNHNSA-N 1 1 336.435 3.917 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](C)C2)cc1 ZINC000766989269 1132921957 /nfs/dbraw/zinc/92/19/57/1132921957.db2.gz UFEBFHNFEMXWLC-KSZLIROESA-N 1 1 327.472 3.608 20 30 EHEDMO C#CCC(C)(C)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000767052725 1132943253 /nfs/dbraw/zinc/94/32/53/1132943253.db2.gz DUHSHWYBMMZDSN-HDICACEKSA-N 1 1 340.511 3.830 20 30 EHEDMO C=CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC001176813655 1133001856 /nfs/dbraw/zinc/00/18/56/1133001856.db2.gz GPCMUZUZYJZCHL-MRXNPFEDSA-N 1 1 333.451 3.649 20 30 EHEDMO C=CCCC[N@H+](CC)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC001176798518 1133005415 /nfs/dbraw/zinc/00/54/15/1133005415.db2.gz RLFMVPHAVUQDEL-MRXNPFEDSA-N 1 1 327.472 3.503 20 30 EHEDMO C[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)[C@H]1CNC(=O)OC(C)(C)C ZINC000769427414 1133284049 /nfs/dbraw/zinc/28/40/49/1133284049.db2.gz YTLVJDBBIWFXLS-BBRMVZONSA-N 1 1 349.500 3.745 20 30 EHEDMO C#CC[N@H+](Cc1cc(Br)c(OC)s1)C1CCCC1 ZINC000769530889 1133309490 /nfs/dbraw/zinc/30/94/90/1133309490.db2.gz OMJFGMSRBVBHNW-UHFFFAOYSA-N 1 1 328.275 3.897 20 30 EHEDMO C[C@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000769770981 1133339476 /nfs/dbraw/zinc/33/94/76/1133339476.db2.gz QCDGDUSAFYXDSQ-IBGZPJMESA-N 1 1 333.479 3.522 20 30 EHEDMO C[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCN1C ZINC000769770981 1133339481 /nfs/dbraw/zinc/33/94/81/1133339481.db2.gz QCDGDUSAFYXDSQ-IBGZPJMESA-N 1 1 333.479 3.522 20 30 EHEDMO C[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCN1C ZINC000769770981 1133339487 /nfs/dbraw/zinc/33/94/87/1133339487.db2.gz QCDGDUSAFYXDSQ-IBGZPJMESA-N 1 1 333.479 3.522 20 30 EHEDMO C[C@H]1Cc2cc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)ccc2O1 ZINC001182140857 1133577680 /nfs/dbraw/zinc/57/76/80/1133577680.db2.gz RAZPVMAGSBFKAX-INIZCTEOSA-N 1 1 336.435 3.530 20 30 EHEDMO C[C@H](C#N)N(C)C(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182247671 1133601361 /nfs/dbraw/zinc/60/13/61/1133601361.db2.gz HZBFZBAMOUBJHC-PBHICJAKSA-N 1 1 333.863 3.628 20 30 EHEDMO Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N[C@@](C)(C#N)CC(C)C)C1 ZINC001182344562 1133638452 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C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000785997754 1133789652 /nfs/dbraw/zinc/78/96/52/1133789652.db2.gz RWGZJHRPCXEZSU-CYBMUJFWSA-N 1 1 326.412 3.980 20 30 EHEDMO N#Cc1ccc(N2CC[NH+](Cc3ccc(C(F)F)c(F)c3)CC2)cc1 ZINC001183378696 1133801759 /nfs/dbraw/zinc/80/17/59/1133801759.db2.gz AGQFWVOLPICNOG-UHFFFAOYSA-N 1 1 345.368 3.957 20 30 EHEDMO N#Cc1cccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1F ZINC000774679922 1133853337 /nfs/dbraw/zinc/85/33/37/1133853337.db2.gz LSPFTOFWBJMDAE-GOSISDBHSA-N 1 1 340.398 3.584 20 30 EHEDMO CCCCN(CC#N)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001184404897 1133935939 /nfs/dbraw/zinc/93/59/39/1133935939.db2.gz XGHPYYZMLDPWEZ-QGZVFWFLSA-N 1 1 347.890 3.704 20 30 EHEDMO CC[N@H+](Cc1cc(Br)nn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000787103649 1133956176 /nfs/dbraw/zinc/95/61/76/1133956176.db2.gz WWGPSVMNNOYRNO-LBPRGKRZSA-N 1 1 347.260 3.637 20 30 EHEDMO CC[N@@H+](Cc1cc(Br)nn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000787103649 1133956178 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C=CC[N@@H+](Cc1cc(C(=O)OC)cs1)Cc1ccc(OC)cc1 ZINC001190457187 1134703429 /nfs/dbraw/zinc/70/34/29/1134703429.db2.gz IYXKGFAEYNQVDC-UHFFFAOYSA-N 1 1 331.437 3.732 20 30 EHEDMO C=CC[N@H+](Cc1cc(C(=O)OC)cs1)Cc1ccc(OC)cc1 ZINC001190457187 1134703433 /nfs/dbraw/zinc/70/34/33/1134703433.db2.gz IYXKGFAEYNQVDC-UHFFFAOYSA-N 1 1 331.437 3.732 20 30 EHEDMO N#Cc1ccc(CNc2cc[nH+]c3ccc(Br)cc23)s1 ZINC001170202882 1134714290 /nfs/dbraw/zinc/71/42/90/1134714290.db2.gz GXYYXHLDEPHROF-UHFFFAOYSA-N 1 1 344.237 3.964 20 30 EHEDMO Cc1cnc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1C#N ZINC001170330626 1134750528 /nfs/dbraw/zinc/75/05/28/1134750528.db2.gz DCBFHHWBNCVPFK-OWZKRDHZSA-N 1 1 332.451 3.869 20 30 EHEDMO C=CC[N@H+](CC(=O)Nc1cccc2nsnc21)CC1CCCCC1 ZINC001190983255 1134774923 /nfs/dbraw/zinc/77/49/23/1134774923.db2.gz ALFNMSXKDVYBSY-UHFFFAOYSA-N 1 1 344.484 3.698 20 30 EHEDMO C[C@]12CC[N@@H+](CCCC3(C#N)CCOCC3)C[C@H]1C2(Cl)Cl ZINC000792906976 1134819019 /nfs/dbraw/zinc/81/90/19/1134819019.db2.gz OXJUWZQDIAKEIR-KGLIPLIRSA-N 1 1 331.287 3.603 20 30 EHEDMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001191289462 1134842890 /nfs/dbraw/zinc/84/28/90/1134842890.db2.gz MRKSAEPHUKBLCV-MRXNPFEDSA-N 1 1 349.862 3.653 20 30 EHEDMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001191289462 1134842895 /nfs/dbraw/zinc/84/28/95/1134842895.db2.gz MRKSAEPHUKBLCV-MRXNPFEDSA-N 1 1 349.862 3.653 20 30 EHEDMO CC[N@@H+]1CC=C(c2cnc(NCC#Cc3ccccc3)c(C)c2)CC1 ZINC001170425900 1134856077 /nfs/dbraw/zinc/85/60/77/1134856077.db2.gz JRPXEEZPZUKAKP-UHFFFAOYSA-N 1 1 331.463 3.963 20 30 EHEDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001191852897 1134927508 /nfs/dbraw/zinc/92/75/08/1134927508.db2.gz HMWSGPFDCHOCRS-LBPRGKRZSA-N 1 1 337.851 3.557 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1O ZINC000793531922 1134960870 /nfs/dbraw/zinc/96/08/70/1134960870.db2.gz QYBMMKOGSAPAID-AEFFLSMTSA-N 1 1 337.410 3.997 20 30 EHEDMO CCC#C[C@@H](C)[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC001192673429 1135044471 /nfs/dbraw/zinc/04/44/71/1135044471.db2.gz NBOLCFZRVQSGKU-NEPJUHHUSA-N 1 1 338.245 3.673 20 30 EHEDMO C#CC[C@@H]([NH2+]Cc1cc(OC)ncc1Br)c1ccccc1 ZINC001192791301 1135061195 /nfs/dbraw/zinc/06/11/95/1135061195.db2.gz JTJBEGUITJQLAN-MRXNPFEDSA-N 1 1 345.240 3.707 20 30 EHEDMO Cc1c2ccccc2sc1[C@@H](C)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC001193142712 1135108447 /nfs/dbraw/zinc/10/84/47/1135108447.db2.gz ZRKIUKUFPLKIRX-ACJLOTCBSA-N 1 1 349.459 3.959 20 30 EHEDMO CC[C@@H]1CN(CC#Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC001193208111 1135114163 /nfs/dbraw/zinc/11/41/63/1135114163.db2.gz AGZQSICGTHXZGG-JOCHJYFZSA-N 1 1 336.454 3.774 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1nc(Cl)c(C#N)s1 ZINC000804586906 1135126560 /nfs/dbraw/zinc/12/65/60/1135126560.db2.gz RGPQXSCHFYTSCZ-STQMWFEESA-N 1 1 346.887 3.767 20 30 EHEDMO C=C(C)C[N@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1 ZINC001194052716 1135222512 /nfs/dbraw/zinc/22/25/12/1135222512.db2.gz ZGSCZMDSBIKMDN-UHFFFAOYSA-N 1 1 330.378 3.982 20 30 EHEDMO C=C(C)C[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1 ZINC001194052716 1135222515 /nfs/dbraw/zinc/22/25/15/1135222515.db2.gz ZGSCZMDSBIKMDN-UHFFFAOYSA-N 1 1 330.378 3.982 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2C2CCC2)cc1Cl ZINC001195825750 1135477728 /nfs/dbraw/zinc/47/77/28/1135477728.db2.gz PWRHTSXMHINXKZ-QGZVFWFLSA-N 1 1 331.847 3.805 20 30 EHEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC001195947134 1135498597 /nfs/dbraw/zinc/49/85/97/1135498597.db2.gz QOTPSBKFZDXCMI-ZWKOTPCHSA-N 1 1 341.499 3.902 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCCC[C@H](C)C2)cc1 ZINC000775733128 1135591957 /nfs/dbraw/zinc/59/19/57/1135591957.db2.gz YQYBALHUPYABCH-ZWKOTPCHSA-N 1 1 327.472 3.752 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1CC2(CCCC2)CC1=O ZINC000747452341 1135610611 /nfs/dbraw/zinc/61/06/11/1135610611.db2.gz OSQTYIQDSOSXBU-UHFFFAOYSA-N 1 1 325.456 3.520 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)CN1CC2(CCCC2)CC1=O ZINC000747452341 1135610614 /nfs/dbraw/zinc/61/06/14/1135610614.db2.gz OSQTYIQDSOSXBU-UHFFFAOYSA-N 1 1 325.456 3.520 20 30 EHEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001196770998 1135613682 /nfs/dbraw/zinc/61/36/82/1135613682.db2.gz DHNNLOHUYAPFIQ-WMLDXEAASA-N 1 1 348.874 3.679 20 30 EHEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001196770998 1135613686 /nfs/dbraw/zinc/61/36/86/1135613686.db2.gz DHNNLOHUYAPFIQ-WMLDXEAASA-N 1 1 348.874 3.679 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@@H](N3CCCC3)[C@H]2C)c1O ZINC000808191461 1135628412 /nfs/dbraw/zinc/62/84/12/1135628412.db2.gz NUYPGJAXNZQMMO-OXQOHEQNSA-N 1 1 344.499 3.578 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H](N3CCCC3)[C@H]2C)c1O ZINC000808191461 1135628416 /nfs/dbraw/zinc/62/84/16/1135628416.db2.gz NUYPGJAXNZQMMO-OXQOHEQNSA-N 1 1 344.499 3.578 20 30 EHEDMO C#CCCOc1ccc(CN[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000808425470 1135660374 /nfs/dbraw/zinc/66/03/74/1135660374.db2.gz FWZSOPGIAPBUJN-NRFANRHFSA-N 1 1 340.442 3.620 20 30 EHEDMO C#CCCOc1ccc(CN[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000808425473 1135660421 /nfs/dbraw/zinc/66/04/21/1135660421.db2.gz FWZSOPGIAPBUJN-OAQYLSRUSA-N 1 1 340.442 3.620 20 30 EHEDMO CCc1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)ccc1C#N ZINC001197293554 1135674827 /nfs/dbraw/zinc/67/48/27/1135674827.db2.gz FZQRUMVUNMVMBP-NRFANRHFSA-N 1 1 347.462 3.515 20 30 EHEDMO CC[N@@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)C1CCCC1 ZINC000747524802 1135721176 /nfs/dbraw/zinc/72/11/76/1135721176.db2.gz RKGZNCLXDJVRPY-UHFFFAOYSA-N 1 1 327.472 3.815 20 30 EHEDMO N#CCOc1ccc(C[N@H+]2CCc3nc[nH]c3C23CCCCC3)cc1 ZINC001197750190 1135734672 /nfs/dbraw/zinc/73/46/72/1135734672.db2.gz LZHKZQVQOYWUBH-UHFFFAOYSA-N 1 1 336.439 3.530 20 30 EHEDMO Cc1csc(C[C@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001197864377 1135749643 /nfs/dbraw/zinc/74/96/43/1135749643.db2.gz MCUGEZXWSVAIDA-QGZVFWFLSA-N 1 1 328.456 3.897 20 30 EHEDMO CCCC[N@H+](CC(=O)N(CC)CCC#N)Cc1c(C)oc(C)c1C ZINC001198019710 1135762284 /nfs/dbraw/zinc/76/22/84/1135762284.db2.gz BRMDTYSSLZSIFS-UHFFFAOYSA-N 1 1 333.476 3.569 20 30 EHEDMO CCCC[N@@H+](CC(=O)N(CC)CCC#N)Cc1c(C)oc(C)c1C ZINC001198019710 1135762290 /nfs/dbraw/zinc/76/22/90/1135762290.db2.gz BRMDTYSSLZSIFS-UHFFFAOYSA-N 1 1 333.476 3.569 20 30 EHEDMO N#Cc1c(N)sc2c1CC[N@H+]([C@H]1CCc3cc(Cl)ccc31)C2 ZINC001198414526 1135812278 /nfs/dbraw/zinc/81/22/78/1135812278.db2.gz VMBRDNJVWWYDLH-HNNXBMFYSA-N 1 1 329.856 3.901 20 30 EHEDMO N#Cc1c(N)sc2c1CC[N@@H+]([C@H]1CCc3cc(Cl)ccc31)C2 ZINC001198414526 1135812285 /nfs/dbraw/zinc/81/22/85/1135812285.db2.gz VMBRDNJVWWYDLH-HNNXBMFYSA-N 1 1 329.856 3.901 20 30 EHEDMO C#Cc1ccc(C[NH2+]Cc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000809604695 1135856596 /nfs/dbraw/zinc/85/65/96/1135856596.db2.gz XUCZPNRUAGSYEY-OALUTQOASA-N 1 1 348.490 3.567 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@]12C[N@@H+](CCCCC#N)C[C@H]1CCCC2 ZINC001198838374 1135862965 /nfs/dbraw/zinc/86/29/65/1135862965.db2.gz XDAROZPWCPZDJD-VQIMIIECSA-N 1 1 335.492 3.697 20 30 EHEDMO C#Cc1ccc(C[NH2+][C@@H]2COc3cc(F)c(Br)cc32)cc1 ZINC000809662059 1135869710 /nfs/dbraw/zinc/86/97/10/1135869710.db2.gz ZAUHKWIAPDECFN-MRXNPFEDSA-N 1 1 346.199 3.793 20 30 EHEDMO CCC[N@H+](CCN1CCCCC1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809704480 1135874975 /nfs/dbraw/zinc/87/49/75/1135874975.db2.gz AVGIBHJEXMFFFE-GOSISDBHSA-N 1 1 329.488 3.675 20 30 EHEDMO CCC[N@@H+](CCN1CCCCC1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809704480 1135874979 /nfs/dbraw/zinc/87/49/79/1135874979.db2.gz AVGIBHJEXMFFFE-GOSISDBHSA-N 1 1 329.488 3.675 20 30 EHEDMO Cc1ccc(C=NOC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000809993296 1135909887 /nfs/dbraw/zinc/90/98/87/1135909887.db2.gz WBSCITGNTFZKTJ-NRFANRHFSA-N 1 1 338.451 3.637 20 30 EHEDMO CC(C)C1N=NC(=S)N1N=CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000747628838 1136002077 /nfs/dbraw/zinc/00/20/77/1136002077.db2.gz WFUXKUULFFYXJZ-UHFFFAOYSA-N 1 1 345.516 3.682 20 30 EHEDMO CCCCCCCC[N@H+]1CCc2ncnc(N3CCCC3)c2CC1 ZINC001201813181 1136065077 /nfs/dbraw/zinc/06/50/77/1136065077.db2.gz BVMCTINPHSUQRQ-UHFFFAOYSA-N 1 1 330.520 3.838 20 30 EHEDMO CCCCCCC[N@@H+]1C[C@@H]2C[C@@H](CN(C(=O)c3cscn3)C2)C1 ZINC001201776830 1136065665 /nfs/dbraw/zinc/06/56/65/1136065665.db2.gz MYSAMEBGJXPGOK-IYBDPMFKSA-N 1 1 335.517 3.507 20 30 EHEDMO CCCCCCCCCC[N@@H+]1CC[C@@H]2[C@H](CC1)OCCN2C(C)=O ZINC001201852893 1136066820 /nfs/dbraw/zinc/06/68/20/1136066820.db2.gz QUZLMDVVVOWBJK-UXHICEINSA-N 1 1 338.536 3.839 20 30 EHEDMO C#Cc1ccccc1CC(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000811491957 1136093594 /nfs/dbraw/zinc/09/35/94/1136093594.db2.gz JHTBDRQUPYPDKV-UHFFFAOYSA-N 1 1 326.827 3.564 20 30 EHEDMO CC(C)c1nc(C#N)c(N=NC2CC[N@@H+](Cc3ccccc3)[C@H]2C)o1 ZINC000811639859 1136115431 /nfs/dbraw/zinc/11/54/31/1136115431.db2.gz ITUZJKPNZZFNLL-AWEZNQCLSA-N 1 1 337.427 3.732 20 30 EHEDMO C#C[C@@H](NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)c1ccc(F)cc1 ZINC000812754151 1136243392 /nfs/dbraw/zinc/24/33/92/1136243392.db2.gz JTQZUMZIPLEMOO-QZTJIDSGSA-N 1 1 344.817 3.573 20 30 EHEDMO Cc1cc(OC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)c(C)c(C)c1C#N ZINC000813250723 1136309668 /nfs/dbraw/zinc/30/96/68/1136309668.db2.gz RKTUGEWUVADMQG-IBGZPJMESA-N 1 1 332.419 3.601 20 30 EHEDMO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001170722898 1136395364 /nfs/dbraw/zinc/39/53/64/1136395364.db2.gz MFLINCJIVDEWOX-MRXNPFEDSA-N 1 1 326.390 3.527 20 30 EHEDMO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001170722898 1136395366 /nfs/dbraw/zinc/39/53/66/1136395366.db2.gz MFLINCJIVDEWOX-MRXNPFEDSA-N 1 1 326.390 3.527 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3ccc(Cl)c(Cl)c3C2)cc1 ZINC000852406629 1136453979 /nfs/dbraw/zinc/45/39/79/1136453979.db2.gz RKEPMHPZFXLDBC-QGZVFWFLSA-N 1 1 347.245 3.957 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCc3ccc(Cl)c(Cl)c3C2)cc1 ZINC000852406629 1136453981 /nfs/dbraw/zinc/45/39/81/1136453981.db2.gz RKEPMHPZFXLDBC-QGZVFWFLSA-N 1 1 347.245 3.957 20 30 EHEDMO CC(C)(C)OC(=O)NCC12CC(C1)C[N@H+]2CCC1(C#N)CCCCC1 ZINC000852525706 1136462750 /nfs/dbraw/zinc/46/27/50/1136462750.db2.gz IXTIOFGSDBMCFZ-UHFFFAOYSA-N 1 1 347.503 3.840 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000852686168 1136477924 /nfs/dbraw/zinc/47/79/24/1136477924.db2.gz PJGAVDIUNWTCOH-RWMBFGLXSA-N 1 1 349.818 3.758 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000852686168 1136477926 /nfs/dbraw/zinc/47/79/26/1136477926.db2.gz PJGAVDIUNWTCOH-RWMBFGLXSA-N 1 1 349.818 3.758 20 30 EHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000814642051 1136488201 /nfs/dbraw/zinc/48/82/01/1136488201.db2.gz MKNKRTPKLNHXSE-WOJBJXKFSA-N 1 1 334.419 3.652 20 30 EHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000814642051 1136488203 /nfs/dbraw/zinc/48/82/03/1136488203.db2.gz MKNKRTPKLNHXSE-WOJBJXKFSA-N 1 1 334.419 3.652 20 30 EHEDMO CCCCCCCC[C@H](C)C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000852890704 1136492386 /nfs/dbraw/zinc/49/23/86/1136492386.db2.gz LLSNESFKBJJTQQ-HKUYNNGSSA-N 1 1 331.504 3.941 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000815031100 1136542633 /nfs/dbraw/zinc/54/26/33/1136542633.db2.gz WVXXNTNONDOPEA-BRSBDYLESA-N 1 1 347.503 3.790 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000853554643 1136543915 /nfs/dbraw/zinc/54/39/15/1136543915.db2.gz NLPKUPGIIFZZRT-HXUWFJFHSA-N 1 1 349.482 3.985 20 30 EHEDMO N#CC1(c2ccc(C[NH+]3CCC(C(=O)C(F)(F)F)CC3)cc2)CC1 ZINC000825548990 1136581901 /nfs/dbraw/zinc/58/19/01/1136581901.db2.gz KKTIXNIPRHETFF-UHFFFAOYSA-N 1 1 336.357 3.585 20 30 EHEDMO C#CC[N@@H+](C)CCCN[C@@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000815652757 1136626905 /nfs/dbraw/zinc/62/69/05/1136626905.db2.gz RKGMMCIFWBPQCK-INIZCTEOSA-N 1 1 344.446 3.654 20 30 EHEDMO C#CC[N@H+](C)CCCN[C@@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000815652757 1136626907 /nfs/dbraw/zinc/62/69/07/1136626907.db2.gz RKGMMCIFWBPQCK-INIZCTEOSA-N 1 1 344.446 3.654 20 30 EHEDMO C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000815652393 1136626996 /nfs/dbraw/zinc/62/69/96/1136626996.db2.gz AHXGMIXQMOJZKA-AWEZNQCLSA-N 1 1 329.271 3.695 20 30 EHEDMO C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000815652393 1136626997 /nfs/dbraw/zinc/62/69/97/1136626997.db2.gz AHXGMIXQMOJZKA-AWEZNQCLSA-N 1 1 329.271 3.695 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000776787960 1136665916 /nfs/dbraw/zinc/66/59/16/1136665916.db2.gz YIRAFIYRVLRTQL-QGZVFWFLSA-N 1 1 343.471 3.603 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000776795820 1136672185 /nfs/dbraw/zinc/67/21/85/1136672185.db2.gz WFQOAGIWYOTCIE-SFHVURJKSA-N 1 1 343.471 3.698 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)c1cc(C#N)cs1 ZINC000816455017 1136717718 /nfs/dbraw/zinc/71/77/18/1136717718.db2.gz MCADXKBGGWHMHU-WMLDXEAASA-N 1 1 340.448 3.687 20 30 EHEDMO COc1nc(C)cc(C)c1C[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000857069057 1136840849 /nfs/dbraw/zinc/84/08/49/1136840849.db2.gz NPXOQAUAEXKSHX-INIZCTEOSA-N 1 1 339.439 3.630 20 30 EHEDMO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000857069057 1136840854 /nfs/dbraw/zinc/84/08/54/1136840854.db2.gz NPXOQAUAEXKSHX-INIZCTEOSA-N 1 1 339.439 3.630 20 30 EHEDMO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001136030091 1136841024 /nfs/dbraw/zinc/84/10/24/1136841024.db2.gz VCXILCZLDMXMHU-HXUWFJFHSA-N 1 1 332.447 3.898 20 30 EHEDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001136030091 1136841026 /nfs/dbraw/zinc/84/10/26/1136841026.db2.gz VCXILCZLDMXMHU-HXUWFJFHSA-N 1 1 332.447 3.898 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000817919870 1136846330 /nfs/dbraw/zinc/84/63/30/1136846330.db2.gz WBIPNMKUMRJQOJ-GFOJFJKKSA-N 1 1 341.499 3.768 20 30 EHEDMO CC(C)(C)[C@@]1(C=NOC[C@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000857209349 1136854361 /nfs/dbraw/zinc/85/43/61/1136854361.db2.gz DCUMQCZUGDNQJN-PZJWPPBQSA-N 1 1 344.499 3.964 20 30 EHEDMO C[N@@H+](CCCCc1ccccc1)CC(=O)N(CCC#N)c1ccccc1 ZINC000339006377 1136902839 /nfs/dbraw/zinc/90/28/39/1136902839.db2.gz HWXWGJQJFRMVKM-UHFFFAOYSA-N 1 1 349.478 3.888 20 30 EHEDMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)nc1 ZINC000858034972 1136934350 /nfs/dbraw/zinc/93/43/50/1136934350.db2.gz HGQYGDOUDOSYEO-SFHVURJKSA-N 1 1 335.451 3.845 20 30 EHEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)ccc1F ZINC000858049675 1136935478 /nfs/dbraw/zinc/93/54/78/1136935478.db2.gz KLBGCKSPLIAVRX-GOSISDBHSA-N 1 1 337.398 3.623 20 30 EHEDMO N#Cc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)ccc1F ZINC000858049675 1136935481 /nfs/dbraw/zinc/93/54/81/1136935481.db2.gz KLBGCKSPLIAVRX-GOSISDBHSA-N 1 1 337.398 3.623 20 30 EHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCc3scnc32)c1 ZINC000858378083 1136962917 /nfs/dbraw/zinc/96/29/17/1136962917.db2.gz FEMALKVJKXBBEG-GOEBONIOSA-N 1 1 327.453 3.991 20 30 EHEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1C#N ZINC000859119830 1137003861 /nfs/dbraw/zinc/00/38/61/1137003861.db2.gz HJLQRXUMHKGCLK-QGZVFWFLSA-N 1 1 343.471 3.556 20 30 EHEDMO Cc1ccc(C[N@@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1C#N ZINC000859240188 1137009295 /nfs/dbraw/zinc/00/92/95/1137009295.db2.gz VIMGWBOCEPFTSE-RDJZCZTQSA-N 1 1 343.471 3.602 20 30 EHEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000859252705 1137009828 /nfs/dbraw/zinc/00/98/28/1137009828.db2.gz RAWFYOZJAMZMDV-UXHICEINSA-N 1 1 336.435 3.525 20 30 EHEDMO CC(C)(C)[N@@H+](CCOCCC#N)Cc1ccccc1Br ZINC000339019337 1137022745 /nfs/dbraw/zinc/02/27/45/1137022745.db2.gz CIYBTSKXXXWTEU-UHFFFAOYSA-N 1 1 339.277 3.980 20 30 EHEDMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000805764892 1137026491 /nfs/dbraw/zinc/02/64/91/1137026491.db2.gz GSRZHPJAGIEORS-GOSISDBHSA-N 1 1 343.471 3.828 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@H+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822580515 1137066019 /nfs/dbraw/zinc/06/60/19/1137066019.db2.gz ZZTMGACGVVINJW-HNNXBMFYSA-N 1 1 338.282 3.654 20 30 EHEDMO N#CCCC[C@@H]([NH3+])c1nc(C2(c3ccc(F)cc3F)CCCC2)no1 ZINC000823216305 1137091037 /nfs/dbraw/zinc/09/10/37/1137091037.db2.gz SCRODLZXIXAYLT-OAHLLOKOSA-N 1 1 346.381 3.902 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@H](C(=O)OC)C(F)(F)F)cc1 ZINC001171015523 1137097838 /nfs/dbraw/zinc/09/78/38/1137097838.db2.gz ODHBYSRLXOJJQL-LSDHHAIUSA-N 1 1 342.361 3.525 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(Br)n1 ZINC000823616650 1137106639 /nfs/dbraw/zinc/10/66/39/1137106639.db2.gz BLTJQQVWSYHRTK-GFCCVEGCSA-N 1 1 330.229 3.909 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000823619073 1137106705 /nfs/dbraw/zinc/10/67/05/1137106705.db2.gz WYZXNDIJXHVOSD-KRWDZBQOSA-N 1 1 347.462 3.987 20 30 EHEDMO CCOC[C@@H]1CCCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001171025752 1137110526 /nfs/dbraw/zinc/11/05/26/1137110526.db2.gz JMINDLQXSYLYJI-INIZCTEOSA-N 1 1 341.373 3.828 20 30 EHEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171059797 1137143762 /nfs/dbraw/zinc/14/37/62/1137143762.db2.gz QWNQNALXJNSMMR-JKSUJKDBSA-N 1 1 348.874 3.574 20 30 EHEDMO C#CC[C@@H]1CC[N@@H+](Cc2csc(COc3ccc(C)cc3)n2)C1 ZINC000862445157 1137145443 /nfs/dbraw/zinc/14/54/43/1137145443.db2.gz NHJMPFGNTRZXHJ-MRXNPFEDSA-N 1 1 326.465 3.876 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2csc(COc3ccc(C)cc3)n2)C1 ZINC000862445157 1137145444 /nfs/dbraw/zinc/14/54/44/1137145444.db2.gz NHJMPFGNTRZXHJ-MRXNPFEDSA-N 1 1 326.465 3.876 20 30 EHEDMO C[C@H]1C[NH+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@H](C)C1(F)F ZINC000863274835 1137179026 /nfs/dbraw/zinc/17/90/26/1137179026.db2.gz MXXVXDSVNUJNKB-KBPBESRZSA-N 1 1 330.382 3.602 20 30 EHEDMO C[N@H+]1CCN(Cc2c(Cl)cccc2C#N)C[C@H]1c1ccccc1 ZINC001143722454 1137193965 /nfs/dbraw/zinc/19/39/65/1137193965.db2.gz APIWXFBZPBASOE-IBGZPJMESA-N 1 1 325.843 3.700 20 30 EHEDMO C#CCCCCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000119606761 1137201856 /nfs/dbraw/zinc/20/18/56/1137201856.db2.gz BSTJHRMBELVFPB-SFHVURJKSA-N 1 1 326.484 3.871 20 30 EHEDMO CCCCCCC[N@@H+]1CCn2c(Cc3ccccc3F)nnc2C1 ZINC000844384310 1137215925 /nfs/dbraw/zinc/21/59/25/1137215925.db2.gz SWUBHGCZNFIKMP-UHFFFAOYSA-N 1 1 330.451 3.794 20 30 EHEDMO CCCCCCC[N@H+]1CCn2c(Cc3ccccc3F)nnc2C1 ZINC000844384310 1137215926 /nfs/dbraw/zinc/21/59/26/1137215926.db2.gz SWUBHGCZNFIKMP-UHFFFAOYSA-N 1 1 330.451 3.794 20 30 EHEDMO C=CC[C@H](C)C(=O)N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001144012240 1137228419 /nfs/dbraw/zinc/22/84/19/1137228419.db2.gz CUVIZFQPMZDIKF-HNNXBMFYSA-N 1 1 347.528 3.621 20 30 EHEDMO C=CC[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001144017973 1137229200 /nfs/dbraw/zinc/22/92/00/1137229200.db2.gz OGCBNLZYNNAVSG-QGZVFWFLSA-N 1 1 328.500 3.841 20 30 EHEDMO N#Cc1cncc(C[N@@H+]2C[C@H]3c4ccccc4[C@@H](OCC4CC4)[C@H]3C2)c1 ZINC001144080029 1137237386 /nfs/dbraw/zinc/23/73/86/1137237386.db2.gz SYIRCHGBEXRSPQ-FDFHNCONSA-N 1 1 345.446 3.650 20 30 EHEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cccc(CC)c1)CCO2 ZINC001144322940 1137272417 /nfs/dbraw/zinc/27/24/17/1137272417.db2.gz JLWLYAVZEPEGMR-NHCUHLMSSA-N 1 1 329.484 3.823 20 30 EHEDMO CCc1[nH+]c(C)cn1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000865393190 1137279722 /nfs/dbraw/zinc/27/97/22/1137279722.db2.gz XEYUSSABJYPNSK-ZDUSSCGKSA-N 1 1 342.468 3.644 20 30 EHEDMO C=CCOc1ccc(C[NH2+]Cc2nn(C)cc2C(F)F)cc1Cl ZINC000865808783 1137313566 /nfs/dbraw/zinc/31/35/66/1137313566.db2.gz CIPRODFDAZNERL-UHFFFAOYSA-N 1 1 341.789 3.866 20 30 EHEDMO N#CC1(c2ccccc2F)CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144630349 1137320861 /nfs/dbraw/zinc/32/08/61/1137320861.db2.gz GHOLEJOSGBUYCE-UHFFFAOYSA-N 1 1 334.398 3.531 20 30 EHEDMO N#Cc1cccc(O[C@@H]2CCCN(Cc3cc(F)c([O-])cc3F)C2)c1 ZINC001144657678 1137323692 /nfs/dbraw/zinc/32/36/92/1137323692.db2.gz DCBBXCOTTIXXRG-MRXNPFEDSA-N 1 1 344.361 3.585 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1cccc(C#N)c1O ZINC000866237967 1137338004 /nfs/dbraw/zinc/33/80/04/1137338004.db2.gz MDVQEMOVHBMBMI-CQSZACIVSA-N 1 1 337.423 3.831 20 30 EHEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)[C@@H](O)c1c(F)cccc1Cl ZINC000866302931 1137343835 /nfs/dbraw/zinc/34/38/35/1137343835.db2.gz MKSBQSVRARHSNZ-WVQJBOLRSA-N 1 1 348.805 3.829 20 30 EHEDMO COc1cc2c(cc1OC)C[N@H+]([C@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171221578 1137346161 /nfs/dbraw/zinc/34/61/61/1137346161.db2.gz PKVUQWUUUCFWED-OAHLLOKOSA-N 1 1 336.435 3.565 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001171221205 1137346902 /nfs/dbraw/zinc/34/69/02/1137346902.db2.gz IWJYQMXAGZRPLI-CRAIPNDOSA-N 1 1 328.456 3.543 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001171222349 1137349001 /nfs/dbraw/zinc/34/90/01/1137349001.db2.gz GBIMPJKYVJLKKQ-XXBNENTESA-N 1 1 347.506 3.943 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001171222349 1137349003 /nfs/dbraw/zinc/34/90/03/1137349003.db2.gz GBIMPJKYVJLKKQ-XXBNENTESA-N 1 1 347.506 3.943 20 30 EHEDMO CCCc1noc([C@H]2CCC[N@H+]([C@H](C)Cc3cccc(C#N)c3)C2)n1 ZINC001171224202 1137349157 /nfs/dbraw/zinc/34/91/57/1137349157.db2.gz PUDFKCAKNQXNRA-QAPCUYQASA-N 1 1 338.455 3.704 20 30 EHEDMO CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171230642 1137354789 /nfs/dbraw/zinc/35/47/89/1137354789.db2.gz WSTQITUCKNRWGG-MRXNPFEDSA-N 1 1 345.487 3.678 20 30 EHEDMO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)Cc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC001171234450 1137358800 /nfs/dbraw/zinc/35/88/00/1137358800.db2.gz SXTBRDXKSVKPLR-NDXORKPFSA-N 1 1 348.446 3.725 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)nc1 ZINC000846812457 1137368944 /nfs/dbraw/zinc/36/89/44/1137368944.db2.gz ASZZFIJTHRUQLF-SFTDATJTSA-N 1 1 335.451 3.822 20 30 EHEDMO C#C[C@H]1CCC[N@@H+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000847023544 1137383281 /nfs/dbraw/zinc/38/32/81/1137383281.db2.gz DNDOLSJTKRGCGM-KGLIPLIRSA-N 1 1 329.831 3.720 20 30 EHEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000847023544 1137383282 /nfs/dbraw/zinc/38/32/82/1137383282.db2.gz DNDOLSJTKRGCGM-KGLIPLIRSA-N 1 1 329.831 3.720 20 30 EHEDMO Cc1cccc(NC[C@H]2CCCN2C(=O)c2cc(C)c(C#N)c(C)c2)[nH+]1 ZINC001146343155 1137389366 /nfs/dbraw/zinc/38/93/66/1137389366.db2.gz AWNXWQWGKDCUIU-GOSISDBHSA-N 1 1 348.450 3.595 20 30 EHEDMO Fc1cccnc1N=NC1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000794991035 1137398644 /nfs/dbraw/zinc/39/86/44/1137398644.db2.gz VUCPCQQTOCDXRC-DLBZAZTESA-N 1 1 338.430 3.921 20 30 EHEDMO C=CCCC[C@H](C)[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1nccs1 ZINC000348119697 1137442733 /nfs/dbraw/zinc/44/27/33/1137442733.db2.gz JFTFQCIOBKHQEG-HRCADAONSA-N 1 1 325.497 3.732 20 30 EHEDMO C=CCOc1ccccc1[C@@H](C)Nc1cncc(-n2cc[nH+]c2C)n1 ZINC001171373681 1137461091 /nfs/dbraw/zinc/46/10/91/1137461091.db2.gz UVZZKPSTVIUIJV-CQSZACIVSA-N 1 1 335.411 3.709 20 30 EHEDMO C[C@@H]1C[C@H](NC(=N)c2ccc3ccccc3n2)C[N@@H+]1Cc1ccccc1 ZINC001171733469 1137505245 /nfs/dbraw/zinc/50/52/45/1137505245.db2.gz TWCOXKAXFNLKLK-APWZRJJASA-N 1 1 344.462 3.603 20 30 EHEDMO C[C@@H]1C[C@H](NC(=N)c2ccc3ccccc3n2)C[N@H+]1Cc1ccccc1 ZINC001171733469 1137505247 /nfs/dbraw/zinc/50/52/47/1137505247.db2.gz TWCOXKAXFNLKLK-APWZRJJASA-N 1 1 344.462 3.603 20 30 EHEDMO C[C@H]1C[C@H](NC2(c3ccc(C#N)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171733670 1137506328 /nfs/dbraw/zinc/50/63/28/1137506328.db2.gz XOIYQTZIBADCIA-UWJYYQICSA-N 1 1 331.463 3.800 20 30 EHEDMO C[C@H]1C[C@H](NC2(c3ccc(C#N)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171733670 1137506330 /nfs/dbraw/zinc/50/63/30/1137506330.db2.gz XOIYQTZIBADCIA-UWJYYQICSA-N 1 1 331.463 3.800 20 30 EHEDMO CC1(C)C[C@@H](NCc2ncc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC001171976043 1137525267 /nfs/dbraw/zinc/52/52/67/1137525267.db2.gz OWCNDEQPLCGCHU-INIZCTEOSA-N 1 1 340.496 3.548 20 30 EHEDMO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@](C)(C#N)C1)C2 ZINC001172107084 1137537289 /nfs/dbraw/zinc/53/72/89/1137537289.db2.gz YTTSREJZDFOOPY-MKSNKDDYSA-N 1 1 333.476 3.543 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC001172310661 1137545996 /nfs/dbraw/zinc/54/59/96/1137545996.db2.gz HBPSKUKYQDUVTJ-KRWDZBQOSA-N 1 1 330.435 3.807 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001172311519 1137546472 /nfs/dbraw/zinc/54/64/72/1137546472.db2.gz SWCBIPYURNRWSI-HRAATJIYSA-N 1 1 338.426 3.876 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001172357263 1137554128 /nfs/dbraw/zinc/55/41/28/1137554128.db2.gz KQIRSYIGYOWWKK-SJLPKXTDSA-N 1 1 336.524 3.983 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001172357263 1137554130 /nfs/dbraw/zinc/55/41/30/1137554130.db2.gz KQIRSYIGYOWWKK-SJLPKXTDSA-N 1 1 336.524 3.983 20 30 EHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001172361708 1137554500 /nfs/dbraw/zinc/55/45/00/1137554500.db2.gz LFMDYPKSOUNWAC-GBESFXJTSA-N 1 1 328.516 3.870 20 30 EHEDMO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872066101 1137569335 /nfs/dbraw/zinc/56/93/35/1137569335.db2.gz DYFOONSWPUKGOP-MEDUHNTESA-N 1 1 325.343 3.944 20 30 EHEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872281043 1137577569 /nfs/dbraw/zinc/57/75/69/1137577569.db2.gz PSIUFVIDVVMVIL-IBGZPJMESA-N 1 1 328.456 3.751 20 30 EHEDMO CC(=[NH+]NC[C@H]1CCCC1(F)F)c1ccc(N2CCCC2)cc1O ZINC000872404814 1137579424 /nfs/dbraw/zinc/57/94/24/1137579424.db2.gz DAUVMDIMPKITCF-CQSZACIVSA-N 1 1 337.414 3.741 20 30 EHEDMO CC[C@H]([NH2+]Cc1cccc(F)c1C#N)[C@H](O)c1c(F)cccc1F ZINC000873064918 1137589333 /nfs/dbraw/zinc/58/93/33/1137589333.db2.gz ARXQDGUTLNBRDA-WMZOPIPTSA-N 1 1 334.341 3.577 20 30 EHEDMO C[C@H](CCC#N)C[N@@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000876584501 1137656120 /nfs/dbraw/zinc/65/61/20/1137656120.db2.gz IFMJOOIYFANBKC-OAHLLOKOSA-N 1 1 335.492 3.790 20 30 EHEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000876683450 1137658916 /nfs/dbraw/zinc/65/89/16/1137658916.db2.gz BTJUWWKFVRLKPU-NRFANRHFSA-N 1 1 335.451 3.588 20 30 EHEDMO CCCOc1ccc(C[NH2+]Cc2cc(C#N)cnc2Cl)cc1OC ZINC000876926284 1137665446 /nfs/dbraw/zinc/66/54/46/1137665446.db2.gz OHZBJDKEIFUSKO-UHFFFAOYSA-N 1 1 345.830 3.694 20 30 EHEDMO CCc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877023122 1137667885 /nfs/dbraw/zinc/66/78/85/1137667885.db2.gz FAMGAFRTAFFXDH-MRXNPFEDSA-N 1 1 327.815 3.782 20 30 EHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000877142910 1137671526 /nfs/dbraw/zinc/67/15/26/1137671526.db2.gz YZHOUTYNOMVJIQ-OAHLLOKOSA-N 1 1 331.778 3.749 20 30 EHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000877482834 1137677914 /nfs/dbraw/zinc/67/79/14/1137677914.db2.gz IIWWQAZAAXZWKG-CQSZACIVSA-N 1 1 349.475 3.975 20 30 EHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000877482834 1137677915 /nfs/dbraw/zinc/67/79/15/1137677915.db2.gz IIWWQAZAAXZWKG-CQSZACIVSA-N 1 1 349.475 3.975 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000877572328 1137681766 /nfs/dbraw/zinc/68/17/66/1137681766.db2.gz PKUOIKITCHWCPU-KZNAEPCWSA-N 1 1 349.519 3.895 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000877659140 1137684566 /nfs/dbraw/zinc/68/45/66/1137684566.db2.gz KFHPKFWQACZNHF-ILOCAZANSA-N 1 1 347.503 3.504 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000877672448 1137685115 /nfs/dbraw/zinc/68/51/15/1137685115.db2.gz FEZNXYSKZLCBTH-YADHBBJMSA-N 1 1 349.478 3.734 20 30 EHEDMO Cc1csc([C@@H]2CC[N@H+](Cc3ccc(N(C)CCC#N)cc3)C2)n1 ZINC000877814090 1137690966 /nfs/dbraw/zinc/69/09/66/1137690966.db2.gz SRUTXZKEANHKES-QGZVFWFLSA-N 1 1 340.496 3.791 20 30 EHEDMO CC[N@@H+](C[C@H]1CCC2(CCOCC2)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC000877991243 1137698671 /nfs/dbraw/zinc/69/86/71/1137698671.db2.gz NONSYUWEXOJYJZ-QFBILLFUSA-N 1 1 328.456 3.669 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@H]1c1ccccn1)c1ccccc1 ZINC000878174988 1137705926 /nfs/dbraw/zinc/70/59/26/1137705926.db2.gz KZXDQBGZZQMLAK-SFTDATJTSA-N 1 1 333.435 3.659 20 30 EHEDMO CS[C@H]1CCCC[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878287026 1137709883 /nfs/dbraw/zinc/70/98/83/1137709883.db2.gz PPVRFTRHPGZCLN-RBUKOAKNSA-N 1 1 330.497 3.645 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1Cc2ccccc2OC[C@@H]1C)c1ccccc1 ZINC000878399193 1137714281 /nfs/dbraw/zinc/71/42/81/1137714281.db2.gz PBHWVAZMTMECLW-HTAPYJJXSA-N 1 1 348.446 3.710 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1Cc2ccccc2OC[C@@H]1C)c1ccccc1 ZINC000878399193 1137714282 /nfs/dbraw/zinc/71/42/82/1137714282.db2.gz PBHWVAZMTMECLW-HTAPYJJXSA-N 1 1 348.446 3.710 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1ccccc1N(C)C)c1ccccc1 ZINC000878623485 1137722670 /nfs/dbraw/zinc/72/26/70/1137722670.db2.gz PBMQZDSJYNZGCN-QFIPXVFZSA-N 1 1 349.478 3.625 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1ccccc1N(C)C)c1ccccc1 ZINC000878623485 1137722671 /nfs/dbraw/zinc/72/26/71/1137722671.db2.gz PBMQZDSJYNZGCN-QFIPXVFZSA-N 1 1 349.478 3.625 20 30 EHEDMO C=CC(C)(C)CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000878668562 1137724348 /nfs/dbraw/zinc/72/43/48/1137724348.db2.gz ZNOBMVFUXSSKKP-UHFFFAOYSA-N 1 1 328.500 3.959 20 30 EHEDMO C#C[C@@H]1CCC[N@@H+](Cc2nnc(-c3cc4ccccc4cc3OC)o2)C1 ZINC000878844130 1137729900 /nfs/dbraw/zinc/72/99/00/1137729900.db2.gz RFPXIDSJUFJBCV-OAHLLOKOSA-N 1 1 347.418 3.744 20 30 EHEDMO C#C[C@@H]1CCC[N@H+](Cc2nnc(-c3cc4ccccc4cc3OC)o2)C1 ZINC000878844130 1137729901 /nfs/dbraw/zinc/72/99/01/1137729901.db2.gz RFPXIDSJUFJBCV-OAHLLOKOSA-N 1 1 347.418 3.744 20 30 EHEDMO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)cc2Cl)no1 ZINC000879682064 1137755159 /nfs/dbraw/zinc/75/51/59/1137755159.db2.gz SXNFXQBOKZKJFA-MQVJKMGUSA-N 1 1 342.830 3.814 20 30 EHEDMO N#CCc1cccc(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)c1 ZINC000879845280 1137760615 /nfs/dbraw/zinc/76/06/15/1137760615.db2.gz PIYFWEXKHZEJDX-LJQANCHMSA-N 1 1 340.471 3.671 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880317506 1137774699 /nfs/dbraw/zinc/77/46/99/1137774699.db2.gz OUFYYXYICBIHGO-LBPRGKRZSA-N 1 1 333.844 3.688 20 30 EHEDMO C[C@]1(c2ccccc2)CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000880370779 1137777004 /nfs/dbraw/zinc/77/70/04/1137777004.db2.gz RQLMGZSCZAAOGS-LJQANCHMSA-N 1 1 339.464 3.960 20 30 EHEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C3CC3)c(C#N)c2)C1 ZINC000881125787 1137800833 /nfs/dbraw/zinc/80/08/33/1137800833.db2.gz VQTWUGISKVCUOR-HNNXBMFYSA-N 1 1 340.471 3.631 20 30 EHEDMO C=CCCCCCn1cc(Cn2c[nH+]c(-c3ccccc3)c2N)nn1 ZINC000881289528 1137805200 /nfs/dbraw/zinc/80/52/00/1137805200.db2.gz OCHNVVFSDYTXHV-UHFFFAOYSA-N 1 1 336.443 3.519 20 30 EHEDMO Cc1ccc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(C#N)n1 ZINC000882015061 1137818932 /nfs/dbraw/zinc/81/89/32/1137818932.db2.gz NRPJMUAKIZDMEB-KSSFIOAISA-N 1 1 326.469 3.818 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc(C#N)cc2Cl)C1 ZINC000114709913 1137918495 /nfs/dbraw/zinc/91/84/95/1137918495.db2.gz OGYODBAZJKMSQO-CABCVRRESA-N 1 1 332.879 3.697 20 30 EHEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)c1 ZINC000331786329 1137920637 /nfs/dbraw/zinc/92/06/37/1137920637.db2.gz HDAJVFGNFWOBEI-LLVKDONJSA-N 1 1 340.374 3.741 20 30 EHEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c1 ZINC000331786329 1137920638 /nfs/dbraw/zinc/92/06/38/1137920638.db2.gz HDAJVFGNFWOBEI-LLVKDONJSA-N 1 1 340.374 3.741 20 30 EHEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c1 ZINC000331786329 1137920639 /nfs/dbraw/zinc/92/06/39/1137920639.db2.gz HDAJVFGNFWOBEI-LLVKDONJSA-N 1 1 340.374 3.741 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000118391973 1137933547 /nfs/dbraw/zinc/93/35/47/1137933547.db2.gz VCPNQGOQWLHNGZ-SFHVURJKSA-N 1 1 344.462 3.699 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000118391973 1137933548 /nfs/dbraw/zinc/93/35/48/1137933548.db2.gz VCPNQGOQWLHNGZ-SFHVURJKSA-N 1 1 344.462 3.699 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000118391973 1137933549 /nfs/dbraw/zinc/93/35/49/1137933549.db2.gz VCPNQGOQWLHNGZ-SFHVURJKSA-N 1 1 344.462 3.699 20 30 EHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000121063090 1137954808 /nfs/dbraw/zinc/95/48/08/1137954808.db2.gz NVXNQVNMGMWJDI-IBGZPJMESA-N 1 1 336.435 3.606 20 30 EHEDMO COc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)c(F)c1OC ZINC000886041217 1138034553 /nfs/dbraw/zinc/03/45/53/1138034553.db2.gz LLXLMZXDVYUPCH-INIZCTEOSA-N 1 1 328.387 3.978 20 30 EHEDMO COc1ccc(C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C(C)(C)C)cc1 ZINC000886209002 1138059316 /nfs/dbraw/zinc/05/93/16/1138059316.db2.gz CCOCHUNUVMYEJB-KRWDZBQOSA-N 1 1 330.472 3.741 20 30 EHEDMO C#CC[C@@H]1CC[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000886353039 1138070018 /nfs/dbraw/zinc/07/00/18/1138070018.db2.gz ANFPUYDYFYRLFG-CYBMUJFWSA-N 1 1 327.453 3.522 20 30 EHEDMO C#CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000886359343 1138070382 /nfs/dbraw/zinc/07/03/82/1138070382.db2.gz ATCCCYBXNIOSPA-RYUDHWBXSA-N 1 1 325.239 3.666 20 30 EHEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000886359343 1138070384 /nfs/dbraw/zinc/07/03/84/1138070384.db2.gz ATCCCYBXNIOSPA-RYUDHWBXSA-N 1 1 325.239 3.666 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2nnc(-c3ccc(OCCCC)cc3)o2)C1 ZINC000886356278 1138070549 /nfs/dbraw/zinc/07/05/49/1138070549.db2.gz XIZTVMACKYKHCJ-INIZCTEOSA-N 1 1 339.439 3.761 20 30 EHEDMO N#CCSCCC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000074990208 1138125544 /nfs/dbraw/zinc/12/55/44/1138125544.db2.gz BBUDKYQJTCLZNX-INIZCTEOSA-N 1 1 342.468 3.910 20 30 EHEDMO C=CCCCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080167578 1138161249 /nfs/dbraw/zinc/16/12/49/1138161249.db2.gz BLQJYLJBSCXKJJ-MJGOQNOKSA-N 1 1 329.488 3.647 20 30 EHEDMO CCOc1ccc(C2=CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000091813576 1138221902 /nfs/dbraw/zinc/22/19/02/1138221902.db2.gz WNIODXAWJAOUEA-QFIPXVFZSA-N 1 1 348.446 3.780 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000128643684 1138395028 /nfs/dbraw/zinc/39/50/28/1138395028.db2.gz PLXACOIYQAIVHQ-YLJYHZDGSA-N 1 1 347.462 3.650 20 30 EHEDMO C[C@H]1CN(Cc2ccc(C#N)cc2)C[C@H](C)[NH+]1Cc1ccc(C#N)cc1 ZINC000337237400 1138503684 /nfs/dbraw/zinc/50/36/84/1138503684.db2.gz LYYCPPVHLYNAJA-ROUUACIJSA-N 1 1 344.462 3.525 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000337362367 1138545050 /nfs/dbraw/zinc/54/50/50/1138545050.db2.gz IZAYUUGZKABYCX-INIZCTEOSA-N 1 1 328.431 3.504 20 30 EHEDMO CCCCOc1ccc([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)cc1OC ZINC000264898263 1138670674 /nfs/dbraw/zinc/67/06/74/1138670674.db2.gz VGBHLRATVKXSKU-CVEARBPZSA-N 1 1 329.444 3.968 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000337820614 1138675559 /nfs/dbraw/zinc/67/55/59/1138675559.db2.gz OTZOFMVSAUCZAA-UHFFFAOYSA-N 1 1 333.435 3.756 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134917860 1138712917 /nfs/dbraw/zinc/71/29/17/1138712917.db2.gz KXQACTLRRDQESH-NQIIRXRSSA-N 1 1 337.511 3.936 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134917860 1138712922 /nfs/dbraw/zinc/71/29/22/1138712922.db2.gz KXQACTLRRDQESH-NQIIRXRSSA-N 1 1 337.511 3.936 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000134917860 1138712924 /nfs/dbraw/zinc/71/29/24/1138712924.db2.gz KXQACTLRRDQESH-NQIIRXRSSA-N 1 1 337.511 3.936 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000134917860 1138712928 /nfs/dbraw/zinc/71/29/28/1138712928.db2.gz KXQACTLRRDQESH-NQIIRXRSSA-N 1 1 337.511 3.936 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000338099184 1138750266 /nfs/dbraw/zinc/75/02/66/1138750266.db2.gz RCDIWAVANGPLBP-SFHVURJKSA-N 1 1 341.842 3.553 20 30 EHEDMO CCc1cccc(NC(=[NH2+])NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000104155690 1139196425 /nfs/dbraw/zinc/19/64/25/1139196425.db2.gz ACSJBQWILHFRSH-QGZVFWFLSA-N 1 1 342.512 3.874 20 30 EHEDMO CC[N@@H+](CCCC(C)(C)C#N)CC1CCN(c2ccccn2)CC1 ZINC000174881588 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EHEDMO COc1ccc([C@@H](C)C[N@@H+](C)CCOCc2ccc(C#N)cc2)cc1 ZINC000519785355 1021688327 /nfs/dbraw/zinc/68/83/27/1021688327.db2.gz GYNZEUDDAXJIQF-KRWDZBQOSA-N 1 1 338.451 3.819 20 30 EHEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccc(OC(F)F)cc1 ZINC000051212843 1021696634 /nfs/dbraw/zinc/69/66/34/1021696634.db2.gz CPXRNQBCNDSMLX-UHFFFAOYSA-N 1 1 332.350 3.670 20 30 EHEDMO N#Cc1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cs1 ZINC000891467954 1021700997 /nfs/dbraw/zinc/70/09/97/1021700997.db2.gz QHLLJSFMDMGMBP-INIZCTEOSA-N 1 1 328.437 3.507 20 30 EHEDMO C=CCc1cccc(C(C)C)c1NC(=O)CCCC[NH+]1CCOCC1 ZINC000276547900 1021720139 /nfs/dbraw/zinc/72/01/39/1021720139.db2.gz GBSKGSCNRMANIY-UHFFFAOYSA-N 1 1 344.499 3.980 20 30 EHEDMO CC[C@H](c1ccccc1)[N@@H+](CC)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000519909211 1021758920 /nfs/dbraw/zinc/75/89/20/1021758920.db2.gz MTLZVNQPSKPHCU-TZIWHRDSSA-N 1 1 338.451 3.771 20 30 EHEDMO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)NCc2ccc(C#N)cc2)cc1C ZINC000519904017 1021770809 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C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000441320720 1022150567 /nfs/dbraw/zinc/15/05/67/1022150567.db2.gz AJYLFQFTSYWSQW-YLJYHZDGSA-N 1 1 343.515 3.703 20 30 EHEDMO C=CCN(CCc1ccccc1)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000519504714 1022166475 /nfs/dbraw/zinc/16/64/75/1022166475.db2.gz GJQVPBXZPRQQJE-RBUKOAKNSA-N 1 1 343.515 3.690 20 30 EHEDMO C=CCOc1ccc(C(=O)NCc2cccc(C[N@H+](C)CC)c2)cc1 ZINC000141834650 1033034742 /nfs/dbraw/zinc/03/47/42/1033034742.db2.gz WCDKANUCTNIVDB-UHFFFAOYSA-N 1 1 338.451 3.633 20 30 EHEDMO CCOc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)o1 ZINC000894422882 1022265274 /nfs/dbraw/zinc/26/52/74/1022265274.db2.gz OBBOGSJRDVXGHG-UHFFFAOYSA-N 1 1 344.386 3.732 20 30 EHEDMO CC(C)[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000506845466 1022332859 /nfs/dbraw/zinc/33/28/59/1022332859.db2.gz DWQMRPBLPMLBQT-UHFFFAOYSA-N 1 1 325.387 3.546 20 30 EHEDMO CC(C)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000506845466 1022332868 /nfs/dbraw/zinc/33/28/68/1022332868.db2.gz DWQMRPBLPMLBQT-UHFFFAOYSA-N 1 1 325.387 3.546 20 30 EHEDMO Cc1cc(C#N)cc(NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000341569049 1022349433 /nfs/dbraw/zinc/34/94/33/1022349433.db2.gz XXGYOXVKWCJFLB-INIZCTEOSA-N 1 1 334.467 3.528 20 30 EHEDMO CC(=O)c1ccc(NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1Cl ZINC000330798272 1022676778 /nfs/dbraw/zinc/67/67/78/1022676778.db2.gz HSRRMUGSFDUKFW-LLVKDONJSA-N 1 1 335.835 3.519 20 30 EHEDMO C[C@@]1(c2ccccc2)CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000438475168 1022711434 /nfs/dbraw/zinc/71/14/34/1022711434.db2.gz BAWLHJQYOFPRJT-OAQYLSRUSA-N 1 1 333.435 3.550 20 30 EHEDMO COc1cc(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)ccc1Cl ZINC000331221913 1022771325 /nfs/dbraw/zinc/77/13/25/1022771325.db2.gz VGNPPRUCUAKILE-LBPRGKRZSA-N 1 1 325.840 3.549 20 30 EHEDMO C=C[C@H]1CCCCN1C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000426070090 1022811467 /nfs/dbraw/zinc/81/14/67/1022811467.db2.gz NAWFDXGBASDHFQ-QAPCUYQASA-N 1 1 338.455 3.992 20 30 EHEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000593944656 1033082860 /nfs/dbraw/zinc/08/28/60/1033082860.db2.gz ZJTIEKZOGBWKID-GFCCVEGCSA-N 1 1 335.205 3.583 20 30 EHEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000426121444 1022943434 /nfs/dbraw/zinc/94/34/34/1022943434.db2.gz AUPFYYBNCHCVKO-CQSZACIVSA-N 1 1 348.878 3.845 20 30 EHEDMO Cc1c(F)cccc1NC(=O)CC[N@H+](C)Cc1cc(C#N)cs1 ZINC000933773852 1022978564 /nfs/dbraw/zinc/97/85/64/1022978564.db2.gz GEAQYIHTECXDJA-UHFFFAOYSA-N 1 1 331.416 3.528 20 30 EHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000426145332 1022988816 /nfs/dbraw/zinc/98/88/16/1022988816.db2.gz ZGXKXZQGSNDNFM-GXTWGEPZSA-N 1 1 334.851 3.548 20 30 EHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000426765968 1023018115 /nfs/dbraw/zinc/01/81/15/1023018115.db2.gz VCHDMSTZUHIEBS-YUELXQCFSA-N 1 1 331.847 3.661 20 30 EHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000441468155 1023034525 /nfs/dbraw/zinc/03/45/25/1023034525.db2.gz GGTHUWOSIRQDIQ-VBSBHUPXSA-N 1 1 329.484 3.808 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C)(C(C)C)CC2)c(C#N)c1C ZINC000426778444 1023038730 /nfs/dbraw/zinc/03/87/30/1023038730.db2.gz XSDPDUMIHGWWOQ-AWEZNQCLSA-N 1 1 331.460 3.853 20 30 EHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000438840321 1023057456 /nfs/dbraw/zinc/05/74/56/1023057456.db2.gz IOIAIQOIMAYWFI-ZIFCJYIRSA-N 1 1 342.487 3.594 20 30 EHEDMO Cc1sc(NC(=O)C[NH2+]C2(c3ccc(F)cc3)CC2)c(C#N)c1C ZINC000427011411 1023156933 /nfs/dbraw/zinc/15/69/33/1023156933.db2.gz FTPVHLDMQUNWSF-UHFFFAOYSA-N 1 1 343.427 3.593 20 30 EHEDMO C=CCC[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000426996737 1023159700 /nfs/dbraw/zinc/15/97/00/1023159700.db2.gz DJBWHRPEZPYVTH-AZUAARDMSA-N 1 1 326.484 3.870 20 30 EHEDMO CCC(CC)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000536385526 1023164657 /nfs/dbraw/zinc/16/46/57/1023164657.db2.gz DXDWHWPLRLNITM-KRWDZBQOSA-N 1 1 341.499 3.665 20 30 EHEDMO CCC(CC)[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000536385526 1023164661 /nfs/dbraw/zinc/16/46/61/1023164661.db2.gz DXDWHWPLRLNITM-KRWDZBQOSA-N 1 1 341.499 3.665 20 30 EHEDMO CC[N@@H+]1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@H](C)C1 ZINC000341769785 1023285570 /nfs/dbraw/zinc/28/55/70/1023285570.db2.gz BQXIIRIHODFBDM-MRXNPFEDSA-N 1 1 349.434 3.517 20 30 EHEDMO CC[N@H+]1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@H](C)C1 ZINC000341769785 1023285575 /nfs/dbraw/zinc/28/55/75/1023285575.db2.gz BQXIIRIHODFBDM-MRXNPFEDSA-N 1 1 349.434 3.517 20 30 EHEDMO N#Cc1ccc([C@H]([NH2+]Cc2ccc(C3CCCCC3)cc2)C(N)=O)cc1 ZINC000431122684 1023292431 /nfs/dbraw/zinc/29/24/31/1023292431.db2.gz VHPQBGWQBSWUOW-NRFANRHFSA-N 1 1 347.462 3.922 20 30 EHEDMO N#CC1(c2ccc(C[N@@H+]3CC[C@@H](O)C[C@@H]3c3ccccc3)cc2)CC1 ZINC000602731001 1033120789 /nfs/dbraw/zinc/12/07/89/1033120789.db2.gz JTSRWTAXKPGFPD-NHCUHLMSSA-N 1 1 332.447 3.940 20 30 EHEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2C2CC2)ccc1Cl ZINC000610735423 1023390718 /nfs/dbraw/zinc/39/07/18/1023390718.db2.gz DBRKXNIYANORFA-GOSISDBHSA-N 1 1 345.874 3.770 20 30 EHEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2C2CC2)ccc1Cl ZINC000610735424 1023391459 /nfs/dbraw/zinc/39/14/59/1023391459.db2.gz DBRKXNIYANORFA-SFHVURJKSA-N 1 1 345.874 3.770 20 30 EHEDMO Cc1oc(NC(=O)C[NH2+]C2(c3ccc(Cl)cc3)CC2)c(C#N)c1C ZINC000341873833 1023505624 /nfs/dbraw/zinc/50/56/24/1023505624.db2.gz GYXPCBJHCRONRM-UHFFFAOYSA-N 1 1 343.814 3.639 20 30 EHEDMO CC[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc(C#N)cc1 ZINC000278776255 1033166720 /nfs/dbraw/zinc/16/67/20/1033166720.db2.gz PKQXDZSUHKFRTJ-HXUWFJFHSA-N 1 1 325.431 4.000 20 30 EHEDMO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)[nH]1 ZINC000277166276 1023915237 /nfs/dbraw/zinc/91/52/37/1023915237.db2.gz HGLHNVHJUQXJRD-GJZGRUSLSA-N 1 1 340.475 3.519 20 30 EHEDMO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)[nH]1 ZINC000277166281 1023915564 /nfs/dbraw/zinc/91/55/64/1023915564.db2.gz HGLHNVHJUQXJRD-HUUCEWRRSA-N 1 1 340.475 3.519 20 30 EHEDMO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000610970083 1023917489 /nfs/dbraw/zinc/91/74/89/1023917489.db2.gz ZBXDDIMLHLXLGH-GFCCVEGCSA-N 1 1 341.386 3.515 20 30 EHEDMO CCOC(=O)CCC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000610995979 1024002424 /nfs/dbraw/zinc/00/24/24/1024002424.db2.gz LSPVJCHOFARQMB-UHFFFAOYSA-N 1 1 333.859 3.747 20 30 EHEDMO C=CCOC(=O)[C@@H](Nc1cc(N2CCCCC2)cc[nH+]1)[C@@H](C)CC ZINC001167955506 1024074954 /nfs/dbraw/zinc/07/49/54/1024074954.db2.gz RWBMAOUNUSWBNQ-YJBOKZPZSA-N 1 1 331.460 3.628 20 30 EHEDMO C=CC[N@H+](CCOc1ccccc1F)Cc1cccc([N+](=O)[O-])c1 ZINC000063297789 1033181819 /nfs/dbraw/zinc/18/18/19/1033181819.db2.gz QJFMIZUUKSKUQH-UHFFFAOYSA-N 1 1 330.359 3.801 20 30 EHEDMO Cc1nc(C)c(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000329715119 1024128129 /nfs/dbraw/zinc/12/81/29/1024128129.db2.gz UMKBGMRZRXRZIW-BXUZGUMPSA-N 1 1 336.505 3.739 20 30 EHEDMO C=CCCCCC[N@@H+](C)CN1C(=O)C2(CCC2)[C@@H]1c1cccnc1 ZINC000840009032 1024145764 /nfs/dbraw/zinc/14/57/64/1024145764.db2.gz YSDQEGNCGNEOPF-SFHVURJKSA-N 1 1 327.472 3.771 20 30 EHEDMO C=CCCCCC[N@H+](C)CN1C(=O)C2(CCC2)[C@@H]1c1cccnc1 ZINC000840009032 1024145777 /nfs/dbraw/zinc/14/57/77/1024145777.db2.gz YSDQEGNCGNEOPF-SFHVURJKSA-N 1 1 327.472 3.771 20 30 EHEDMO Cc1oc2ccccc2c1CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000329779781 1024193384 /nfs/dbraw/zinc/19/33/84/1024193384.db2.gz RHHHSLYKUORODV-HNNXBMFYSA-N 1 1 341.455 3.762 20 30 EHEDMO CC[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000434623652 1024218438 /nfs/dbraw/zinc/21/84/38/1024218438.db2.gz MGEBKYNCPZGHHM-KRWDZBQOSA-N 1 1 339.464 3.958 20 30 EHEDMO CCCn1ncc(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1C1CC1 ZINC000329879648 1024231373 /nfs/dbraw/zinc/23/13/73/1024231373.db2.gz MNYAKHDJQPZIPJ-INIZCTEOSA-N 1 1 332.492 3.596 20 30 EHEDMO CC(C)CC[N@H+](CCC#N)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000443618396 1024248602 /nfs/dbraw/zinc/24/86/02/1024248602.db2.gz ZWHINYXPBICXCG-INIZCTEOSA-N 1 1 342.405 3.871 20 30 EHEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000443618396 1024248616 /nfs/dbraw/zinc/24/86/16/1024248616.db2.gz ZWHINYXPBICXCG-INIZCTEOSA-N 1 1 342.405 3.871 20 30 EHEDMO CC(C)CC[N@H+](CCC#N)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000443618397 1024249319 /nfs/dbraw/zinc/24/93/19/1024249319.db2.gz ZWHINYXPBICXCG-MRXNPFEDSA-N 1 1 342.405 3.871 20 30 EHEDMO CC(C)CC[N@@H+](CCC#N)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000443618397 1024249335 /nfs/dbraw/zinc/24/93/35/1024249335.db2.gz ZWHINYXPBICXCG-MRXNPFEDSA-N 1 1 342.405 3.871 20 30 EHEDMO CC[C@@H]1C[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(=O)N1 ZINC000329934316 1024256915 /nfs/dbraw/zinc/25/69/15/1024256915.db2.gz JTWPCNGWPRRWNN-FGTMMUONSA-N 1 1 343.471 3.610 20 30 EHEDMO C[C@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000425135335 1024297784 /nfs/dbraw/zinc/29/77/84/1024297784.db2.gz VRYHFVWQOMYUMA-IAGOWNOFSA-N 1 1 347.462 3.524 20 30 EHEDMO C[C@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000425135335 1024297798 /nfs/dbraw/zinc/29/77/98/1024297798.db2.gz VRYHFVWQOMYUMA-IAGOWNOFSA-N 1 1 347.462 3.524 20 30 EHEDMO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)C2(CCCC2)CN1CC1(CC#N)CC1 ZINC000602837737 1033200395 /nfs/dbraw/zinc/20/03/95/1033200395.db2.gz ZOUHQSOPLRZWOR-GOSISDBHSA-N 1 1 340.515 3.693 20 30 EHEDMO C[C@@H]1CN(CC2(CC#N)CC2)C2(CCCC2)C[N@@H+]1CC1(CC#N)CC1 ZINC000602837737 1033200399 /nfs/dbraw/zinc/20/03/99/1033200399.db2.gz ZOUHQSOPLRZWOR-GOSISDBHSA-N 1 1 340.515 3.693 20 30 EHEDMO C[C@@H]1CN(CC2(CC#N)CC2)C2(CCCC2)C[N@H+]1CC1(CC#N)CC1 ZINC000602837737 1033200401 /nfs/dbraw/zinc/20/04/01/1033200401.db2.gz ZOUHQSOPLRZWOR-GOSISDBHSA-N 1 1 340.515 3.693 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2NCc2cc(C#N)cs2)C[C@H](C)O1 ZINC000119488863 1024314618 /nfs/dbraw/zinc/31/46/18/1024314618.db2.gz GAWMFSOGPVVADC-GASCZTMLSA-N 1 1 341.480 3.841 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccccc2NCc2cc(C#N)cs2)C[C@H](C)O1 ZINC000119488863 1024314634 /nfs/dbraw/zinc/31/46/34/1024314634.db2.gz GAWMFSOGPVVADC-GASCZTMLSA-N 1 1 341.480 3.841 20 30 EHEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)nn2)C1 ZINC000895337972 1024320969 /nfs/dbraw/zinc/32/09/69/1024320969.db2.gz MWDAZUZSKBWZFZ-CQSZACIVSA-N 1 1 332.448 3.612 20 30 EHEDMO O=C(NCc1ccnc(OC2CCCCC2)c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330205552 1024355183 /nfs/dbraw/zinc/35/51/83/1024355183.db2.gz CNMDHOPBCQEOBL-SFHVURJKSA-N 1 1 343.471 3.876 20 30 EHEDMO C[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)Cc1cccc(C#N)c1 ZINC000026329411 1033208710 /nfs/dbraw/zinc/20/87/10/1033208710.db2.gz QLTGDCLAZGXXKF-OAQYLSRUSA-N 1 1 347.462 3.574 20 30 EHEDMO Cc1ccccc1C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000434830184 1024440099 /nfs/dbraw/zinc/44/00/99/1024440099.db2.gz RVFQDEMLSXYSHG-UHFFFAOYSA-N 1 1 333.435 3.860 20 30 EHEDMO Cc1ccc([C@]2(C)CC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)cc1 ZINC000435037584 1024559834 /nfs/dbraw/zinc/55/98/34/1024559834.db2.gz OLFLIQQYPDZKSH-OAQYLSRUSA-N 1 1 330.435 3.678 20 30 EHEDMO N#Cc1cc(C[NH+]2CCC(Cc3nc(C4CCC4)no3)CC2)cs1 ZINC000895628273 1024674373 /nfs/dbraw/zinc/67/43/73/1024674373.db2.gz OEBZHTPEUAZCCP-UHFFFAOYSA-N 1 1 342.468 3.725 20 30 EHEDMO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1Cl ZINC000439433240 1024709832 /nfs/dbraw/zinc/70/98/32/1024709832.db2.gz YZVJUELSAXAQBK-SFHVURJKSA-N 1 1 328.843 3.985 20 30 EHEDMO CCOc1ccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000346481283 1024768634 /nfs/dbraw/zinc/76/86/34/1024768634.db2.gz LCNMSWZBSRCWSJ-UHFFFAOYSA-N 1 1 349.434 3.560 20 30 EHEDMO CCOc1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000346481283 1024768644 /nfs/dbraw/zinc/76/86/44/1024768644.db2.gz LCNMSWZBSRCWSJ-UHFFFAOYSA-N 1 1 349.434 3.560 20 30 EHEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)c1F ZINC000602885230 1033235699 /nfs/dbraw/zinc/23/56/99/1033235699.db2.gz DAFUFQBFBVXBMJ-MRXNPFEDSA-N 1 1 332.382 3.630 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000120952773 1024833123 /nfs/dbraw/zinc/83/31/23/1024833123.db2.gz JRGKAZAKVVCXRS-FUHWJXTLSA-N 1 1 329.463 3.784 20 30 EHEDMO CCC#CC(=O)N1C[C@@H]2CC[N@@H+](C[C@@H](CC)CCCC)CC[C@@H]2C1 ZINC001269949041 1024848539 /nfs/dbraw/zinc/84/85/39/1024848539.db2.gz DISQQYCXYIVPAM-SLFFLAALSA-N 1 1 332.532 3.787 20 30 EHEDMO C=CCN1CCC([NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000346552272 1024892784 /nfs/dbraw/zinc/89/27/84/1024892784.db2.gz GDGALSBXZJGYTB-HXUWFJFHSA-N 1 1 325.431 3.550 20 30 EHEDMO O=C(C[N@@H+]1CC[C@H](O)C12CCCC2)Nc1ccc(Cl)c(Cl)c1 ZINC000330330719 1024921110 /nfs/dbraw/zinc/92/11/10/1024921110.db2.gz NMUALQJKLAXJNE-AWEZNQCLSA-N 1 1 343.254 3.961 20 30 EHEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000281378359 1024956971 /nfs/dbraw/zinc/95/69/71/1024956971.db2.gz YHVUGBJIWUBGBX-KRWDZBQOSA-N 1 1 341.499 3.586 20 30 EHEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1coc3ccc(F)cc13)C2 ZINC001141852975 1024958935 /nfs/dbraw/zinc/95/89/35/1024958935.db2.gz XZNOWNFRKXFDEY-XLIONFOSSA-N 1 1 345.414 3.898 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000338120097 1024966854 /nfs/dbraw/zinc/96/68/54/1024966854.db2.gz RJAVANZOHPFOJJ-AEFFLSMTSA-N 1 1 339.483 3.593 20 30 EHEDMO C=CCC(C)(C)C(=O)N1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001269977673 1024985817 /nfs/dbraw/zinc/98/58/17/1024985817.db2.gz RNDJJVWQRNPPKZ-UHFFFAOYSA-N 1 1 343.515 3.822 20 30 EHEDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ncc(C#N)cc1Cl ZINC000346660883 1024996951 /nfs/dbraw/zinc/99/69/51/1024996951.db2.gz SKLMQAZVCSWNQU-GJZGRUSLSA-N 1 1 340.858 3.706 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1ncc(C#N)cc1Cl ZINC000346660883 1024996962 /nfs/dbraw/zinc/99/69/62/1024996962.db2.gz SKLMQAZVCSWNQU-GJZGRUSLSA-N 1 1 340.858 3.706 20 30 EHEDMO CC(C)(C)[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000544188094 1025023636 /nfs/dbraw/zinc/02/36/36/1025023636.db2.gz PIMVTQSUZNMEDP-ZDUSSCGKSA-N 1 1 345.512 3.805 20 30 EHEDMO COc1ccc(C#N)cc1CN1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185462614 1025129846 /nfs/dbraw/zinc/12/98/46/1025129846.db2.gz KHGWAXLRXIYOBZ-HNNXBMFYSA-N 1 1 341.480 3.507 20 30 EHEDMO C=C(C)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc(CO)o1 ZINC000521114756 1025217754 /nfs/dbraw/zinc/21/77/54/1025217754.db2.gz JPTMMWUOHHJTEE-ALCCZGGFSA-N 1 1 342.395 3.772 20 30 EHEDMO C=C(C)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc(CO)o1 ZINC000521114756 1025217762 /nfs/dbraw/zinc/21/77/62/1025217762.db2.gz JPTMMWUOHHJTEE-ALCCZGGFSA-N 1 1 342.395 3.772 20 30 EHEDMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000521196577 1025269140 /nfs/dbraw/zinc/26/91/40/1025269140.db2.gz NOYMMCKGNSZYFQ-FQEVSTJZSA-N 1 1 338.451 3.517 20 30 EHEDMO Cc1cc(C)c(NC(=O)CCC[N@H+](C)[C@H]2CCC[C@H]2C#N)c(C)c1 ZINC000602979835 1033283281 /nfs/dbraw/zinc/28/32/81/1033283281.db2.gz IHUHPJQXNITRAP-ROUUACIJSA-N 1 1 327.472 3.955 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCC[C@H]1C#N ZINC000602979524 1033284219 /nfs/dbraw/zinc/28/42/19/1033284219.db2.gz FHSSIFIKUUKQRK-SWLSCSKDSA-N 1 1 339.361 3.658 20 30 EHEDMO C=CC[NH+](CC=C)CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000302806762 1033289883 /nfs/dbraw/zinc/28/98/83/1033289883.db2.gz FLMIOMSPYACZJM-HXUWFJFHSA-N 1 1 340.492 3.936 20 30 EHEDMO Cc1noc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc(Cl)c3C)C2)n1 ZINC000329052859 1025582852 /nfs/dbraw/zinc/58/28/52/1025582852.db2.gz RUONMCGKISSWRH-DGCLKSJQSA-N 1 1 348.834 3.806 20 30 EHEDMO Cc1noc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc(Cl)c3C)C2)n1 ZINC000329052859 1025582862 /nfs/dbraw/zinc/58/28/62/1025582862.db2.gz RUONMCGKISSWRH-DGCLKSJQSA-N 1 1 348.834 3.806 20 30 EHEDMO CC(C)(C#N)CCCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425515035 1025585165 /nfs/dbraw/zinc/58/51/65/1025585165.db2.gz WALHRKJUYGRRPZ-VQTJNVASSA-N 1 1 325.500 3.913 20 30 EHEDMO CC(C)(C#N)CCCCN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425515035 1025585168 /nfs/dbraw/zinc/58/51/68/1025585168.db2.gz WALHRKJUYGRRPZ-VQTJNVASSA-N 1 1 325.500 3.913 20 30 EHEDMO CC(C)(C#N)CCCCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425515035 1025585173 /nfs/dbraw/zinc/58/51/73/1025585173.db2.gz WALHRKJUYGRRPZ-VQTJNVASSA-N 1 1 325.500 3.913 20 30 EHEDMO CC(=O)Nc1ccc(CC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000329188272 1025652079 /nfs/dbraw/zinc/65/20/79/1025652079.db2.gz RBJUOZASBMJJLV-KRWDZBQOSA-N 1 1 329.444 3.810 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)NCc1ccc(Cl)cc1 ZINC000425531429 1025653076 /nfs/dbraw/zinc/65/30/76/1025653076.db2.gz HKLROEMJAMRXJW-AWEZNQCLSA-N 1 1 341.842 3.521 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NCc1ccc(Cl)cc1 ZINC000425531429 1025653085 /nfs/dbraw/zinc/65/30/85/1025653085.db2.gz HKLROEMJAMRXJW-AWEZNQCLSA-N 1 1 341.842 3.521 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000425543310 1025700773 /nfs/dbraw/zinc/70/07/73/1025700773.db2.gz ZFNYMIRRNRDMAY-AWEZNQCLSA-N 1 1 325.387 3.719 20 30 EHEDMO O=C(C[N@H+]1CC[C@@H](n2ncc3ccccc32)C1)NC1CCCCCC1 ZINC000329363256 1025782052 /nfs/dbraw/zinc/78/20/52/1025782052.db2.gz ZKYZYGUHGVOBPT-GOSISDBHSA-N 1 1 340.471 3.962 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000522097730 1025971107 /nfs/dbraw/zinc/97/11/07/1025971107.db2.gz WWAJFQHCGFTDRS-NVXWUHKLSA-N 1 1 332.875 3.718 20 30 EHEDMO CCO[C@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000451541139 1026086854 /nfs/dbraw/zinc/08/68/54/1026086854.db2.gz LOCHGQGGWBGOTR-PBHICJAKSA-N 1 1 341.373 3.684 20 30 EHEDMO CCO[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C[C@H]1C ZINC000451544628 1026092880 /nfs/dbraw/zinc/09/28/80/1026092880.db2.gz QAFFVLRFFGKLGK-MLGOLLRUSA-N 1 1 337.261 3.568 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2nccc(C#N)c2Cl)cc1 ZINC000342585379 1026359745 /nfs/dbraw/zinc/35/97/45/1026359745.db2.gz VQPHDBRHQFZENB-GFCCVEGCSA-N 1 1 337.814 3.696 20 30 EHEDMO CCC[N@@H+](CC(=O)N(C)C1CCC(C)CC1)Cc1ccc(C#N)cc1 ZINC000339155144 1026407790 /nfs/dbraw/zinc/40/77/90/1026407790.db2.gz PBFCSXMSTBZTSG-UHFFFAOYSA-N 1 1 341.499 3.807 20 30 EHEDMO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NCc1ccc(C#N)cn1 ZINC000582495094 1026429897 /nfs/dbraw/zinc/42/98/97/1026429897.db2.gz WVAJPYHKMSTJDY-OAQYLSRUSA-N 1 1 348.494 3.516 20 30 EHEDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NCc1ccc(C#N)cn1 ZINC000582495094 1026429902 /nfs/dbraw/zinc/42/99/02/1026429902.db2.gz WVAJPYHKMSTJDY-OAQYLSRUSA-N 1 1 348.494 3.516 20 30 EHEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)CCCC3(C#N)CCOCC3)C2)c1 ZINC000452015933 1026437156 /nfs/dbraw/zinc/43/71/56/1026437156.db2.gz KSMQILLRBYBEPC-WGSAOQKQSA-N 1 1 342.483 3.974 20 30 EHEDMO Cc1ccc(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1C ZINC000452045128 1026455748 /nfs/dbraw/zinc/45/57/48/1026455748.db2.gz STWWGZOEFOMIGJ-UHFFFAOYSA-N 1 1 332.407 3.857 20 30 EHEDMO Cc1ccc(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1C ZINC000452045128 1026455757 /nfs/dbraw/zinc/45/57/57/1026455757.db2.gz STWWGZOEFOMIGJ-UHFFFAOYSA-N 1 1 332.407 3.857 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCC[C@]2(CO)CC(C)C)cc(OC)c1O ZINC000475365360 1026522037 /nfs/dbraw/zinc/52/20/37/1026522037.db2.gz QLYMDBJFEVQAPL-HXUWFJFHSA-N 1 1 333.472 3.502 20 30 EHEDMO C#C[C@H](C)Nc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000302396016 1027137384 /nfs/dbraw/zinc/13/73/84/1027137384.db2.gz KCCZPXNPKYWSGL-ZDUSSCGKSA-N 1 1 336.464 3.854 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000582732858 1027209977 /nfs/dbraw/zinc/20/99/77/1027209977.db2.gz KROMIRSENLDABX-RDJZCZTQSA-N 1 1 332.513 3.773 20 30 EHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](CC)Cc1cccs1 ZINC000501475535 1027309121 /nfs/dbraw/zinc/30/91/21/1027309121.db2.gz SRGYYDCSIWBVMY-QGZVFWFLSA-N 1 1 331.481 3.738 20 30 EHEDMO C=C(Cl)CNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000077274762 1027384833 /nfs/dbraw/zinc/38/48/33/1027384833.db2.gz XQWHHBKUKJHNBO-UHFFFAOYSA-N 1 1 332.835 3.929 20 30 EHEDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000273497183 1027460557 /nfs/dbraw/zinc/46/05/57/1027460557.db2.gz PJONJFCPXLSVMW-KSSFIOAISA-N 1 1 338.407 3.874 20 30 EHEDMO C=CCN(CC[C@H]1CC[NH2+]C1)Cc1cc(Br)ccc1F ZINC000420311949 1027460866 /nfs/dbraw/zinc/46/08/66/1027460866.db2.gz WKPGKGRQXFYHQQ-CYBMUJFWSA-N 1 1 341.268 3.576 20 30 EHEDMO CCCOc1c(C[NH+]2CCC(C#N)(COC)CC2)cccc1OCC ZINC000342840528 1027580986 /nfs/dbraw/zinc/58/09/86/1027580986.db2.gz RNXJAGRGVUBDRL-UHFFFAOYSA-N 1 1 346.471 3.626 20 30 EHEDMO COCC1(C#N)CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000342843487 1027596553 /nfs/dbraw/zinc/59/65/53/1027596553.db2.gz RWXRZXQNSABTTA-UHFFFAOYSA-N 1 1 333.482 3.624 20 30 EHEDMO C=C(C)C[NH+]1CCC(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000106245805 1027686835 /nfs/dbraw/zinc/68/68/35/1027686835.db2.gz CURCWLABKRVMJP-UHFFFAOYSA-N 1 1 331.460 3.848 20 30 EHEDMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026327824 1027749769 /nfs/dbraw/zinc/74/97/69/1027749769.db2.gz KCAIJBHACKZJRD-CQSZACIVSA-N 1 1 341.842 3.979 20 30 EHEDMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026327824 1027749787 /nfs/dbraw/zinc/74/97/87/1027749787.db2.gz KCAIJBHACKZJRD-CQSZACIVSA-N 1 1 341.842 3.979 20 30 EHEDMO CSc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026329971 1027767792 /nfs/dbraw/zinc/76/77/92/1027767792.db2.gz YGLVBSSNHYWDQJ-AWEZNQCLSA-N 1 1 339.464 3.739 20 30 EHEDMO CSc1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026329971 1027767808 /nfs/dbraw/zinc/76/78/08/1027767808.db2.gz YGLVBSSNHYWDQJ-AWEZNQCLSA-N 1 1 339.464 3.739 20 30 EHEDMO C[C@@](O)(C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1)C(F)(F)F ZINC000545932601 1027990441 /nfs/dbraw/zinc/99/04/41/1027990441.db2.gz UDYLJAGHAKTGHW-MRXNPFEDSA-N 1 1 345.792 3.717 20 30 EHEDMO Cc1c([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)nnn1-c1ccc(F)cc1 ZINC000582845402 1027992406 /nfs/dbraw/zinc/99/24/06/1027992406.db2.gz SKNMTDCHORNNQU-AWEZNQCLSA-N 1 1 349.413 3.632 20 30 EHEDMO C=CCc1cc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)cc(OC)c1O ZINC000657677531 1028037356 /nfs/dbraw/zinc/03/73/56/1028037356.db2.gz FAIOBVPGRRLLHN-SFHVURJKSA-N 1 1 344.499 3.626 20 30 EHEDMO C=CCc1cc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)cc(OC)c1O ZINC000657677531 1028037372 /nfs/dbraw/zinc/03/73/72/1028037372.db2.gz FAIOBVPGRRLLHN-SFHVURJKSA-N 1 1 344.499 3.626 20 30 EHEDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444671904 1028143154 /nfs/dbraw/zinc/14/31/54/1028143154.db2.gz KHKMMRNZWQIAMA-PMACEKPBSA-N 1 1 347.506 3.911 20 30 EHEDMO C[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@@H](C)CN1C ZINC000444671904 1028143159 /nfs/dbraw/zinc/14/31/59/1028143159.db2.gz KHKMMRNZWQIAMA-PMACEKPBSA-N 1 1 347.506 3.911 20 30 EHEDMO C[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@@H](C)CN1C ZINC000444671904 1028143168 /nfs/dbraw/zinc/14/31/68/1028143168.db2.gz KHKMMRNZWQIAMA-PMACEKPBSA-N 1 1 347.506 3.911 20 30 EHEDMO CC(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000444751079 1028239120 /nfs/dbraw/zinc/23/91/20/1028239120.db2.gz MWTHERMDODEXMQ-OAHLLOKOSA-N 1 1 331.485 3.609 20 30 EHEDMO C=CC[C@H]1[N@@H+](CC(=O)Nc2cc(OC)ccc2OC)CCCC1(C)C ZINC000444783996 1028253811 /nfs/dbraw/zinc/25/38/11/1028253811.db2.gz MLEHQGNZBXUSSA-GOSISDBHSA-N 1 1 346.471 3.709 20 30 EHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457101253 1028288991 /nfs/dbraw/zinc/28/89/91/1028288991.db2.gz XRORSWSEZNAJGE-HNNXBMFYSA-N 1 1 341.480 3.636 20 30 EHEDMO CC(C)(C#N)c1ccc(NC(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1 ZINC000444861503 1028351358 /nfs/dbraw/zinc/35/13/58/1028351358.db2.gz QPRZDYNRGFAEEK-UHFFFAOYSA-N 1 1 342.487 3.731 20 30 EHEDMO C[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000423372059 1028376034 /nfs/dbraw/zinc/37/60/34/1028376034.db2.gz QXVFOCREAALBFB-WSXQUGQNSA-N 1 1 341.405 3.633 20 30 EHEDMO CC(C)([NH2+]CC#Cc1ccccc1Cl)C(=O)NCC1CCCCC1 ZINC000502733911 1028618882 /nfs/dbraw/zinc/61/88/82/1028618882.db2.gz ZJNTXBSKMTVQAM-UHFFFAOYSA-N 1 1 346.902 3.756 20 30 EHEDMO CC(=O)c1ccc(C#N)c(N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC000664364464 1028619776 /nfs/dbraw/zinc/61/97/76/1028619776.db2.gz QVTPJDMALOIEKZ-OAQYLSRUSA-N 1 1 347.462 3.514 20 30 EHEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2cccc(C)n2)no1 ZINC001211975548 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CC[N@@H+](CCCCC(C)(C)C#N)CC(=O)Nc1ccccc1OC ZINC000278107006 1029046016 /nfs/dbraw/zinc/04/60/16/1029046016.db2.gz KSWCBDVHSCUAED-UHFFFAOYSA-N 1 1 331.460 3.676 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cccc(C#N)c2)cc1 ZINC000343098384 1029150444 /nfs/dbraw/zinc/15/04/44/1029150444.db2.gz WWHUBPLYAUGWEL-QGZVFWFLSA-N 1 1 347.462 3.863 20 30 EHEDMO C=CCCc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000505035328 1029150403 /nfs/dbraw/zinc/15/04/03/1029150403.db2.gz LKRKJBNMJUYDAV-APWZRJJASA-N 1 1 329.488 3.999 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)cc1 ZINC000245779194 1029283807 /nfs/dbraw/zinc/28/38/07/1029283807.db2.gz TZPKIWLWSOAQBU-LLGFUMIMSA-N 1 1 336.435 3.939 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)cc1 ZINC000245779194 1029283824 /nfs/dbraw/zinc/28/38/24/1029283824.db2.gz TZPKIWLWSOAQBU-LLGFUMIMSA-N 1 1 336.435 3.939 20 30 EHEDMO Cc1ccc(NC(=O)N2CC[NH+](CCC(C)(C)C#N)CC2)cc1Cl ZINC000272051483 1029291764 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ZINC000481734188 1042804280 /nfs/dbraw/zinc/80/42/80/1042804280.db2.gz JWCFNLFTZOUDMX-HXUWFJFHSA-N 1 1 349.478 3.690 20 30 EHEDMO N#CCCCCC(=O)O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000893605660 1042854352 /nfs/dbraw/zinc/85/43/52/1042854352.db2.gz NNUNKJOITNSURO-CEXWTWQISA-N 1 1 326.440 3.524 20 30 EHEDMO C[N@H+]1CC[C@@H](CNc2cccnc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569178065 1042956578 /nfs/dbraw/zinc/95/65/78/1042956578.db2.gz GGBBRSDIIUOVHT-SCLBCKFNSA-N 1 1 344.821 3.851 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000585716538 1043008476 /nfs/dbraw/zinc/00/84/76/1043008476.db2.gz FZUWIEZSSHPNBZ-NMLACTOBSA-N 1 1 342.483 3.718 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](C2CC2)C1 ZINC000344084761 1043223446 /nfs/dbraw/zinc/22/34/46/1043223446.db2.gz GVEZUHNFYUQCHD-WFASDCNBSA-N 1 1 331.847 3.661 20 30 EHEDMO COCC[N@@H+](Cc1cc(C#N)ccc1Br)C1CCCC1 ZINC000617196075 1043357967 /nfs/dbraw/zinc/35/79/67/1043357967.db2.gz NPWWYCGJCLKXOH-UHFFFAOYSA-N 1 1 337.261 3.712 20 30 EHEDMO C=CCn1cc(C[N@H+](CC)Cc2ccc(Br)cc2)cn1 ZINC001139772961 1044519638 /nfs/dbraw/zinc/51/96/38/1044519638.db2.gz VGEHXNBCFRTAGB-UHFFFAOYSA-N 1 1 334.261 3.854 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc2c1OCCO2 ZINC000076153939 1125540909 /nfs/dbraw/zinc/54/09/09/1125540909.db2.gz ZJVQNDPEBMNDIH-MOPGFXCFSA-N 1 1 334.419 3.730 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc2c1OCCO2 ZINC000076153939 1125540916 /nfs/dbraw/zinc/54/09/16/1125540916.db2.gz ZJVQNDPEBMNDIH-MOPGFXCFSA-N 1 1 334.419 3.730 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000620303648 1125544870 /nfs/dbraw/zinc/54/48/70/1125544870.db2.gz YUKZIIXVLXZXKW-LXTVHRRPSA-N 1 1 344.421 3.605 20 30 EHEDMO C#CCC(C)(C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000185140097 1126771539 /nfs/dbraw/zinc/77/15/39/1126771539.db2.gz RIZUFJUDHJDDOZ-KRWDZBQOSA-N 1 1 326.484 3.584 20 30 EHEDMO C=CC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000734458863 1131238112 /nfs/dbraw/zinc/23/81/12/1131238112.db2.gz CBHQHTIUDXLXKL-SFTDATJTSA-N 1 1 349.478 3.727 20 30 EHEDMO CC(C)(C#N)CCC[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000174816144 1126860839 /nfs/dbraw/zinc/86/08/39/1126860839.db2.gz RVWUUUZFYNKQNV-UHFFFAOYSA-N 1 1 339.483 3.873 20 30 EHEDMO C=C(C)COc1cc(CN[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1OC ZINC000175012761 1126864207 /nfs/dbraw/zinc/86/42/07/1126864207.db2.gz VYPINMFSUFNEJC-MSOLQXFVSA-N 1 1 332.488 3.613 20 30 EHEDMO C=CC[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000623514811 1126973380 /nfs/dbraw/zinc/97/33/80/1126973380.db2.gz BBYNZWAELBWVNP-ICSRJNTNSA-N 1 1 341.499 3.506 20 30 EHEDMO C=CC[C@@H](C)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000083230060 1127244167 /nfs/dbraw/zinc/24/41/67/1127244167.db2.gz MGBQQRHHIWICFA-NQIIRXRSSA-N 1 1 341.499 3.649 20 30 EHEDMO C[C@H](C(=O)OCC1(CC#N)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000764780170 1127533710 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EHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(C#N)cn2)cc1 ZINC000107455769 1128539127 /nfs/dbraw/zinc/53/91/27/1128539127.db2.gz FEJVFXUIGXXEFL-OAHLLOKOSA-N 1 1 334.423 3.580 20 30 EHEDMO CCc1nnc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c1CC ZINC000302041889 1128616681 /nfs/dbraw/zinc/61/66/81/1128616681.db2.gz ILJSPYYRKALRIC-HUUCEWRRSA-N 1 1 341.503 3.538 20 30 EHEDMO N#Cc1cccnc1N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000301267405 1128581087 /nfs/dbraw/zinc/58/10/87/1128581087.db2.gz IPZPFTKAWXCDQG-MRXNPFEDSA-N 1 1 346.356 3.658 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1snc(Cl)c1C#N ZINC000301504426 1128593799 /nfs/dbraw/zinc/59/37/99/1128593799.db2.gz CEGDDWKAHXNDQA-WFASDCNBSA-N 1 1 346.887 3.991 20 30 EHEDMO N#Cc1nc(N2CCC[N@@H+](CC3CCCCC3)CC2)ccc1Cl ZINC000301531807 1128595557 /nfs/dbraw/zinc/59/55/57/1128595557.db2.gz PQRPCCMVZMMISI-UHFFFAOYSA-N 1 1 332.879 3.699 20 30 EHEDMO N#Cc1ccc(OC2CCC(Nc3[nH]c4ccccc4[nH+]3)CC2)nc1 ZINC000301916192 1128611979 /nfs/dbraw/zinc/61/19/79/1128611979.db2.gz GSTWUCVBJMFEIL-UHFFFAOYSA-N 1 1 333.395 3.632 20 30 EHEDMO N#Cc1cccc(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000302113331 1128620740 /nfs/dbraw/zinc/62/07/40/1128620740.db2.gz BKMQSUUTEFXYON-DFQSSKMNSA-N 1 1 332.451 3.666 20 30 EHEDMO CC[C@@H]1CN(c2snc(Cl)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000302170053 1128623323 /nfs/dbraw/zinc/62/33/23/1128623323.db2.gz UFSLJQIQNDBQRK-CQSZACIVSA-N 1 1 346.887 3.769 20 30 EHEDMO CC[C@@H]1CN(c2snc(Cl)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000302170053 1128623327 /nfs/dbraw/zinc/62/33/27/1128623327.db2.gz UFSLJQIQNDBQRK-CQSZACIVSA-N 1 1 346.887 3.769 20 30 EHEDMO C[C@H](CCNc1nc2ccccn2c1C#N)[N@@H+](C)Cc1ccccc1 ZINC000302211234 1128627086 /nfs/dbraw/zinc/62/70/86/1128627086.db2.gz YQKCEEAUMGAJCN-MRXNPFEDSA-N 1 1 333.439 3.528 20 30 EHEDMO Cc1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc1C#N ZINC000302603198 1128637670 /nfs/dbraw/zinc/63/76/70/1128637670.db2.gz CQKLWOCGRLZFDD-CTNGQTDRSA-N 1 1 346.478 3.753 20 30 EHEDMO Cc1ccc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)nc1C#N ZINC000302666018 1128640797 /nfs/dbraw/zinc/64/07/97/1128640797.db2.gz QBWLKHITHJFTTM-UHFFFAOYSA-N 1 1 334.467 3.610 20 30 EHEDMO Cc1ccc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc1C#N ZINC000302677574 1128641370 /nfs/dbraw/zinc/64/13/70/1128641370.db2.gz VEAPJUXOMLCTNB-RDTXWAMCSA-N 1 1 326.469 3.818 20 30 EHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000302812642 1128649277 /nfs/dbraw/zinc/64/92/77/1128649277.db2.gz YHZWJEVTYROILW-FQEVSTJZSA-N 1 1 342.483 3.813 20 30 EHEDMO C[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000403981012 1128672948 /nfs/dbraw/zinc/67/29/48/1128672948.db2.gz ATZPCTAHLPPODR-OXQOHEQNSA-N 1 1 337.442 3.698 20 30 EHEDMO C[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000403981012 1128672951 /nfs/dbraw/zinc/67/29/51/1128672951.db2.gz ATZPCTAHLPPODR-OXQOHEQNSA-N 1 1 337.442 3.698 20 30 EHEDMO C[C@@H](NCc1ccc(C#N)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000403981019 1128673183 /nfs/dbraw/zinc/67/31/83/1128673183.db2.gz ATZPCTAHLPPODR-UZLBHIALSA-N 1 1 337.442 3.698 20 30 EHEDMO C[C@@H](NCc1ccc(C#N)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000403981019 1128673185 /nfs/dbraw/zinc/67/31/85/1128673185.db2.gz ATZPCTAHLPPODR-UZLBHIALSA-N 1 1 337.442 3.698 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000303881510 1128704595 /nfs/dbraw/zinc/70/45/95/1128704595.db2.gz QZXBPTVDIOEOAA-SOLBZPMBSA-N 1 1 332.463 3.817 20 30 EHEDMO CN(Cc1ccc(C#N)c(F)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000361836217 1128716706 /nfs/dbraw/zinc/71/67/06/1128716706.db2.gz DLLLHYVXRFBTEW-FQEVSTJZSA-N 1 1 337.442 3.794 20 30 EHEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000361836217 1128716711 /nfs/dbraw/zinc/71/67/11/1128716711.db2.gz DLLLHYVXRFBTEW-FQEVSTJZSA-N 1 1 337.442 3.794 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000361836217 1128716713 /nfs/dbraw/zinc/71/67/13/1128716713.db2.gz DLLLHYVXRFBTEW-FQEVSTJZSA-N 1 1 337.442 3.794 20 30 EHEDMO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000073103275 1128752031 /nfs/dbraw/zinc/75/20/31/1128752031.db2.gz QZNCZLPRGDFFQK-LBPRGKRZSA-N 1 1 345.805 3.982 20 30 EHEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000073103275 1128752033 /nfs/dbraw/zinc/75/20/33/1128752033.db2.gz QZNCZLPRGDFFQK-LBPRGKRZSA-N 1 1 345.805 3.982 20 30 EHEDMO C=CC(C)(C)CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001670613491 1120090594 /nfs/dbraw/zinc/09/05/94/1120090594.db2.gz CGQTYWMTJXCEAD-MSOLQXFVSA-N 1 1 347.478 3.863 20 30 EHEDMO N#Cc1ccc(F)c(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC001670761057 1120204245 /nfs/dbraw/zinc/20/42/45/1120204245.db2.gz NBWYJSQUOHJENX-INIZCTEOSA-N 1 1 344.434 3.616 20 30 EHEDMO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000175433723 1120373287 /nfs/dbraw/zinc/37/32/87/1120373287.db2.gz KSOJDXSTHRFENE-KSMMKXTCSA-N 1 1 347.890 3.572 20 30 EHEDMO C/C(=C/c1ccccc1)C[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000494242010 1120508644 /nfs/dbraw/zinc/50/86/44/1120508644.db2.gz PPRDMQKDFPFZCT-QINSGFPZSA-N 1 1 339.464 3.984 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1cccc(O)c1 ZINC000495007700 1120930483 /nfs/dbraw/zinc/93/04/83/1120930483.db2.gz VYUVNGNQPYKKKC-HNNXBMFYSA-N 1 1 337.423 3.676 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000495169730 1120977991 /nfs/dbraw/zinc/97/79/91/1120977991.db2.gz BPYANNBAKYVOQI-DLBZAZTESA-N 1 1 347.528 3.710 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000495169731 1120978070 /nfs/dbraw/zinc/97/80/70/1120978070.db2.gz BPYANNBAKYVOQI-IAGOWNOFSA-N 1 1 347.528 3.710 20 30 EHEDMO CCCCCCCCCC(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000914879659 1121034564 /nfs/dbraw/zinc/03/45/64/1121034564.db2.gz OTGHDSSUKZVZKX-IBGZPJMESA-N 1 1 338.536 3.840 20 30 EHEDMO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)c(OC)c2)o1 ZINC000282320540 1128967664 /nfs/dbraw/zinc/96/76/64/1128967664.db2.gz NPAOHNLVBYIAPE-KRWDZBQOSA-N 1 1 326.396 3.643 20 30 EHEDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)c(OC)c2)o1 ZINC000282320540 1128967667 /nfs/dbraw/zinc/96/76/67/1128967667.db2.gz NPAOHNLVBYIAPE-KRWDZBQOSA-N 1 1 326.396 3.643 20 30 EHEDMO C[C@@H](c1cccs1)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000032490147 1121534087 /nfs/dbraw/zinc/53/40/87/1121534087.db2.gz DSQUVIAZDOTMFA-HNNXBMFYSA-N 1 1 327.453 3.688 20 30 EHEDMO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000032490147 1121534094 /nfs/dbraw/zinc/53/40/94/1121534094.db2.gz DSQUVIAZDOTMFA-HNNXBMFYSA-N 1 1 327.453 3.688 20 30 EHEDMO Cc1cc(F)cc2c1ncc(C#N)c2N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000443956991 1121534268 /nfs/dbraw/zinc/53/42/68/1121534268.db2.gz CKXJXCNUPRDRIL-CQSZACIVSA-N 1 1 349.413 3.672 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCC[C@H]1C ZINC000487985703 1121538497 /nfs/dbraw/zinc/53/84/97/1121538497.db2.gz FYMVEVFVZBFVSC-CZUORRHYSA-N 1 1 338.398 3.797 20 30 EHEDMO Cc1cc(C[N@@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC000496005423 1121604135 /nfs/dbraw/zinc/60/41/35/1121604135.db2.gz OWUFBTRNJPAGSF-QAPCUYQASA-N 1 1 343.471 3.602 20 30 EHEDMO C=CCOc1ccccc1C(=O)OC[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000765965538 1129000886 /nfs/dbraw/zinc/00/08/86/1129000886.db2.gz AINOPKKBBIJFIW-MRXNPFEDSA-N 1 1 341.407 3.666 20 30 EHEDMO C=CCOc1ccccc1C(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000765965538 1129000890 /nfs/dbraw/zinc/00/08/90/1129000890.db2.gz AINOPKKBBIJFIW-MRXNPFEDSA-N 1 1 341.407 3.666 20 30 EHEDMO C=CC[C@H](Cc1ccccc1)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648931137 1121928889 /nfs/dbraw/zinc/92/88/89/1121928889.db2.gz OTRQCQVPMCHHEA-FUHWJXTLSA-N 1 1 325.456 3.700 20 30 EHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000749946719 1121981892 /nfs/dbraw/zinc/98/18/92/1121981892.db2.gz QOFSIOWICQDDCG-RTBURBONSA-N 1 1 325.456 3.517 20 30 EHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000749946719 1121981895 /nfs/dbraw/zinc/98/18/95/1121981895.db2.gz QOFSIOWICQDDCG-RTBURBONSA-N 1 1 325.456 3.517 20 30 EHEDMO CCN(CCO)c1ccc(C=[NH+]Nc2cccc3ncccc32)c(C)c1 ZINC000915964690 1122010412 /nfs/dbraw/zinc/01/04/12/1122010412.db2.gz JHLPUFOVQJDVBX-UHFFFAOYSA-N 1 1 348.450 3.808 20 30 EHEDMO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000496259396 1122031128 /nfs/dbraw/zinc/03/11/28/1122031128.db2.gz AIPBLRSWKKDHTP-HOTGVXAUSA-N 1 1 337.508 3.942 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000496563263 1122120199 /nfs/dbraw/zinc/12/01/99/1122120199.db2.gz GXZNZBIQFGLTCP-BEFAXECRSA-N 1 1 335.407 3.576 20 30 EHEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)c(OC)c1 ZINC000497593888 1122600613 /nfs/dbraw/zinc/60/06/13/1122600613.db2.gz LVSFROBPNIDSCT-NZSAHSFTSA-N 1 1 347.499 3.674 20 30 EHEDMO C=CCOc1cccc(CN[C@@H](C[NH+](C)C)c2ccc(OC)cc2)c1 ZINC000556407296 1122964454 /nfs/dbraw/zinc/96/44/54/1122964454.db2.gz DVIHKNQCACMVDY-NRFANRHFSA-N 1 1 340.467 3.653 20 30 EHEDMO COc1ccc([C@@H](CN(C)C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000556601480 1123057243 /nfs/dbraw/zinc/05/72/43/1123057243.db2.gz NJCIOEIUUQJBCC-JLTOFOAXSA-N 1 1 341.430 3.659 20 30 EHEDMO C=CCn1c(SCC[C@@H]2CCCC[N@@H+]2C)nc2ccccc2c1=O ZINC000072569916 1123121512 /nfs/dbraw/zinc/12/15/12/1123121512.db2.gz RPSXKJUDVZTTIY-HNNXBMFYSA-N 1 1 343.496 3.549 20 30 EHEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000499058562 1123171872 /nfs/dbraw/zinc/17/18/72/1123171872.db2.gz ZHTPXANJTGAQAH-OAHLLOKOSA-N 1 1 346.471 3.922 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000499058562 1123171874 /nfs/dbraw/zinc/17/18/74/1123171874.db2.gz ZHTPXANJTGAQAH-OAHLLOKOSA-N 1 1 346.471 3.922 20 30 EHEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc(C4(C#N)CC4)cc3)sc2C1 ZINC001212247125 1123316916 /nfs/dbraw/zinc/31/69/16/1123316916.db2.gz APDAUKVXVZAFBF-UHFFFAOYSA-N 1 1 334.448 3.906 20 30 EHEDMO C[C@H](CCN(C)C)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000065981485 1129117279 /nfs/dbraw/zinc/11/72/79/1129117279.db2.gz KXCQRCXCDCBMDY-QGZVFWFLSA-N 1 1 337.467 3.567 20 30 EHEDMO CC#CCCCC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000560483037 1123485588 /nfs/dbraw/zinc/48/55/88/1123485588.db2.gz MSZSXRZZPPCLFA-QGZVFWFLSA-N 1 1 332.513 3.530 20 30 EHEDMO CN1CC[NH+](Cc2ccccc2Nc2ccc(C3(C#N)CC3)cc2)CC1 ZINC001212256594 1123554348 /nfs/dbraw/zinc/55/43/48/1123554348.db2.gz UBZDRVQMOMTPNA-UHFFFAOYSA-N 1 1 346.478 3.733 20 30 EHEDMO CCc1ccc(C[NH+]2CCN(Cc3cc(C#N)ccc3F)CC2)s1 ZINC000610003278 1123711171 /nfs/dbraw/zinc/71/11/71/1123711171.db2.gz DJVRBPNPIUTCOM-UHFFFAOYSA-N 1 1 343.471 3.639 20 30 EHEDMO CC[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cc(F)ccc1F ZINC000179772083 1123851658 /nfs/dbraw/zinc/85/16/58/1123851658.db2.gz SDPAOSQVKHBDAC-KRWDZBQOSA-N 1 1 329.350 3.516 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc(Br)c2C)no1 ZINC001212324956 1124664990 /nfs/dbraw/zinc/66/49/90/1124664990.db2.gz CYOIKNAFJAZSSH-ZDUSSCGKSA-N 1 1 334.217 3.611 20 30 EHEDMO C=CC[C@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C1 ZINC000617778605 1124768977 /nfs/dbraw/zinc/76/89/77/1124768977.db2.gz KOKOIJPTSUFBRJ-HNNXBMFYSA-N 1 1 337.467 3.584 20 30 EHEDMO C=CC[C@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C1 ZINC000617778605 1124768985 /nfs/dbraw/zinc/76/89/85/1124768985.db2.gz KOKOIJPTSUFBRJ-HNNXBMFYSA-N 1 1 337.467 3.584 20 30 EHEDMO C=CCOc1ccccc1C(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000735221468 1131323591 /nfs/dbraw/zinc/32/35/91/1131323591.db2.gz PECGKIRVOZUHTM-SFHVURJKSA-N 1 1 337.419 3.683 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000618312205 1125043764 /nfs/dbraw/zinc/04/37/64/1125043764.db2.gz LIZQRNXJQVROGN-GDBMZVCRSA-N 1 1 340.389 3.623 20 30 EHEDMO COc1cccc(C[N@H+](C)Cc2cc(Cl)ccc2OCC#N)c1 ZINC000735306637 1131328143 /nfs/dbraw/zinc/32/81/43/1131328143.db2.gz QHFSPXCRTKTQJO-UHFFFAOYSA-N 1 1 330.815 3.883 20 30 EHEDMO COc1cccc(C[N@@H+](C)Cc2cc(Cl)ccc2OCC#N)c1 ZINC000735306637 1131328145 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C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2CCCOc2cccc(C#N)c2)C1 ZINC000619623751 1125373107 /nfs/dbraw/zinc/37/31/07/1125373107.db2.gz SKBAPHCUZKRHOP-DBOLQNLKSA-N 1 1 342.483 3.589 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2nccn2Cc2ccccc2)cc1Cl ZINC000619748916 1125400935 /nfs/dbraw/zinc/40/09/35/1125400935.db2.gz RYLDSHJJDPGRAM-UHFFFAOYSA-N 1 1 336.826 3.746 20 30 EHEDMO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000115595384 1129277734 /nfs/dbraw/zinc/27/77/34/1129277734.db2.gz XHJBDPMEEFTVAD-JLTOFOAXSA-N 1 1 329.403 3.589 20 30 EHEDMO Cc1ccc(C)c(N=NC(C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000735611703 1131363626 /nfs/dbraw/zinc/36/36/26/1131363626.db2.gz BOLUMESEAKULLT-NRFANRHFSA-N 1 1 337.467 3.992 20 30 EHEDMO Cc1ccc(C)c(N=NC(C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000735611703 1131363632 /nfs/dbraw/zinc/36/36/32/1131363632.db2.gz BOLUMESEAKULLT-NRFANRHFSA-N 1 1 337.467 3.992 20 30 EHEDMO N#Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1Cl ZINC000466292881 1129367961 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C#CCC1(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CCCCC1 ZINC000788198643 1134093342 /nfs/dbraw/zinc/09/33/42/1134093342.db2.gz XLXCUEBPDPLPTI-OTWHNJEPSA-N 1 1 330.516 3.824 20 30 EHEDMO C#CCC1(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000788233625 1134104033 /nfs/dbraw/zinc/10/40/33/1134104033.db2.gz WHYRSPPAWZLJOK-ICSRJNTNSA-N 1 1 338.495 3.739 20 30 EHEDMO OC[C@H](N[NH+]=Cc1c(Cl)cccc1N1CCCC1)c1ccccc1 ZINC000788469220 1134128632 /nfs/dbraw/zinc/12/86/32/1134128632.db2.gz PMEAMOZWJDMFFL-SFHVURJKSA-N 1 1 343.858 3.597 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cn3ccccc3n2)c1 ZINC000788640612 1134155240 /nfs/dbraw/zinc/15/52/40/1134155240.db2.gz BLPUWZUORFCIOV-DOTOQJQBSA-N 1 1 334.423 3.866 20 30 EHEDMO c1ccc(C[N@@H+]2C[C@H]3CCCC(=NNCCc4ccccn4)[C@@H]3C2)cc1 ZINC000789105904 1134226088 /nfs/dbraw/zinc/22/60/88/1134226088.db2.gz WUZLOLWAVKBURE-TZIWHRDSSA-N 1 1 348.494 3.502 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)c2cccc(Br)c2)n1 ZINC000789326568 1134257172 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EHEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001191005468 1134778099 /nfs/dbraw/zinc/77/80/99/1134778099.db2.gz TWNJFKGESBIRRO-IFXJQAMLSA-N 1 1 328.843 3.808 20 30 EHEDMO C[C@@H](C#N)OCC[N@@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000792924941 1134825936 /nfs/dbraw/zinc/82/59/36/1134825936.db2.gz JLELULPLOHPDCW-HNNXBMFYSA-N 1 1 326.465 3.646 20 30 EHEDMO N#Cc1cccc([C@H](O)C[N@H+]2CC[C@H](CSc3ccccc3)C2)c1 ZINC001191330196 1134851080 /nfs/dbraw/zinc/85/10/80/1134851080.db2.gz OQZGJTSNUJVCQP-FXAWDEMLSA-N 1 1 338.476 3.706 20 30 EHEDMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+](CCC#N)Cc1cccnc1 ZINC001170431278 1134917442 /nfs/dbraw/zinc/91/74/42/1134917442.db2.gz IVDPRDXBKJBWQV-GOSISDBHSA-N 1 1 337.423 3.547 20 30 EHEDMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](CCC#N)Cc1cccnc1 ZINC001170431278 1134917447 /nfs/dbraw/zinc/91/74/47/1134917447.db2.gz IVDPRDXBKJBWQV-GOSISDBHSA-N 1 1 337.423 3.547 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1O ZINC000793742001 1134987403 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3.996 20 30 EHEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001198270642 1135798481 /nfs/dbraw/zinc/79/84/81/1135798481.db2.gz MQPRZCMGWUBQCC-SJORKVTESA-N 1 1 338.289 3.783 20 30 EHEDMO C[N@@H+]1C[C@@]23CN(Cc4ccccc4C(C)(C)C#N)C[C@]2(C1)CCCC3 ZINC001198820402 1135859279 /nfs/dbraw/zinc/85/92/79/1135859279.db2.gz JIPFVJDVCTWYOS-SZPZYZBQSA-N 1 1 337.511 3.796 20 30 EHEDMO C[N@H+]1C[C@@]23CN(Cc4ccccc4C(C)(C)C#N)C[C@]2(C1)CCCC3 ZINC001198820402 1135859283 /nfs/dbraw/zinc/85/92/83/1135859283.db2.gz JIPFVJDVCTWYOS-SZPZYZBQSA-N 1 1 337.511 3.796 20 30 EHEDMO CN1C[C@]23C[N@H+](Cc4ccccc4C(C)(C)C#N)C[C@@]2(C1)CCCC3 ZINC001198820402 1135859285 /nfs/dbraw/zinc/85/92/85/1135859285.db2.gz JIPFVJDVCTWYOS-SZPZYZBQSA-N 1 1 337.511 3.796 20 30 EHEDMO CN1C[C@]23C[N@@H+](Cc4ccccc4C(C)(C)C#N)C[C@@]2(C1)CCCC3 ZINC001198820402 1135859289 /nfs/dbraw/zinc/85/92/89/1135859289.db2.gz JIPFVJDVCTWYOS-SZPZYZBQSA-N 1 1 337.511 3.796 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000809665715 1135870403 /nfs/dbraw/zinc/87/04/03/1135870403.db2.gz ZXTHCNAQCMLKKQ-OAQYLSRUSA-N 1 1 340.467 3.501 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000809688755 1135871799 /nfs/dbraw/zinc/87/17/99/1135871799.db2.gz OSEWOCOICWPQHM-HNNXBMFYSA-N 1 1 339.395 3.560 20 30 EHEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000809717021 1135877473 /nfs/dbraw/zinc/87/74/73/1135877473.db2.gz BRUAJSKQNZQUDO-UHFFFAOYSA-N 1 1 349.430 3.646 20 30 EHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000809717021 1135877474 /nfs/dbraw/zinc/87/74/74/1135877474.db2.gz BRUAJSKQNZQUDO-UHFFFAOYSA-N 1 1 349.430 3.646 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2COC(=O)NC2CCCCC2)o1 ZINC000809779836 1135890104 /nfs/dbraw/zinc/89/01/04/1135890104.db2.gz BBUVDWHLGZMPEG-INIZCTEOSA-N 1 1 345.443 3.565 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CCCCC2)o1 ZINC000809779836 1135890106 /nfs/dbraw/zinc/89/01/06/1135890106.db2.gz BBUVDWHLGZMPEG-INIZCTEOSA-N 1 1 345.443 3.565 20 30 EHEDMO CCCC[C@@H](C)[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000810125337 1135923910 /nfs/dbraw/zinc/92/39/10/1135923910.db2.gz ULXBCDXMKIZHCZ-GDBMZVCRSA-N 1 1 336.439 3.734 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810164581 1135929034 /nfs/dbraw/zinc/92/90/34/1135929034.db2.gz KKOCRZQOQNOOAU-FZKQIMNGSA-N 1 1 349.500 3.602 20 30 EHEDMO N#Cc1cc(O)ccc1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201477752 1136032775 /nfs/dbraw/zinc/03/27/75/1136032775.db2.gz LASDQTJRRGCLKB-MOPGFXCFSA-N 1 1 331.419 3.997 20 30 EHEDMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](CCCc1ccccc1)C2 ZINC001201660139 1136053269 /nfs/dbraw/zinc/05/32/69/1136053269.db2.gz HTEKNGLOCYBBCR-RTWAWAEBSA-N 1 1 329.484 3.693 20 30 EHEDMO CCCCCCC[N@H+]1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001201776944 1136065623 /nfs/dbraw/zinc/06/56/23/1136065623.db2.gz PPSLEOXFSXRDQM-NRFANRHFSA-N 1 1 343.515 3.867 20 30 EHEDMO C#C[C@H](NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(C)(C)C ZINC000812134501 1136177663 /nfs/dbraw/zinc/17/76/63/1136177663.db2.gz RYZJHCNDRDVROA-KSSFIOAISA-N 1 1 338.455 3.589 20 30 EHEDMO C#C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000812353261 1136197262 /nfs/dbraw/zinc/19/72/62/1136197262.db2.gz KMWLTQNVVTXCLK-APWZRJJASA-N 1 1 344.886 3.785 20 30 EHEDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3ccccc3OCC#N)cc2)c1C ZINC000812738854 1136240283 /nfs/dbraw/zinc/24/02/83/1136240283.db2.gz COBQFSHKXHWIKO-UHFFFAOYSA-N 1 1 346.390 3.644 20 30 EHEDMO C#C[C@](C)(CC)[NH2+]Cc1ncc(-c2ccccc2Br)o1 ZINC000852103145 1136433440 /nfs/dbraw/zinc/43/34/40/1136433440.db2.gz YKYIOTAZGAHABR-MRXNPFEDSA-N 1 1 333.229 3.996 20 30 EHEDMO C#C[C@@](C)(CC)[NH2+]Cc1ncc(-c2ccccc2Br)o1 ZINC000852103144 1136433760 /nfs/dbraw/zinc/43/37/60/1136433760.db2.gz YKYIOTAZGAHABR-INIZCTEOSA-N 1 1 333.229 3.996 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852306430 1136446992 /nfs/dbraw/zinc/44/69/92/1136446992.db2.gz FSEHKWKZDIISGV-AWEZNQCLSA-N 1 1 331.460 3.854 20 30 EHEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000852595035 1136469401 /nfs/dbraw/zinc/46/94/01/1136469401.db2.gz GBQOKMGIZNGOHU-ICSRJNTNSA-N 1 1 328.456 3.608 20 30 EHEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000852595036 1136469522 /nfs/dbraw/zinc/46/95/22/1136469522.db2.gz GBQOKMGIZNGOHU-QUCCMNQESA-N 1 1 328.456 3.608 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccc(F)c(Br)c1 ZINC000852687031 1136477792 /nfs/dbraw/zinc/47/77/92/1136477792.db2.gz FDHSAJALZKRYSU-ZENOOKHLSA-N 1 1 340.236 3.805 20 30 EHEDMO CC[N@H+](CCOc1ccccc1OC)Cc1ccc(F)cc1C#N ZINC000852727127 1136480537 /nfs/dbraw/zinc/48/05/37/1136480537.db2.gz GAJBRGOQQHSLIU-UHFFFAOYSA-N 1 1 328.387 3.607 20 30 EHEDMO CC[N@@H+](CCOc1ccccc1OC)Cc1ccc(F)cc1C#N ZINC000852727127 1136480541 /nfs/dbraw/zinc/48/05/41/1136480541.db2.gz GAJBRGOQQHSLIU-UHFFFAOYSA-N 1 1 328.387 3.607 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+](CCCC#N)C2)C1 ZINC000814674669 1136488939 /nfs/dbraw/zinc/48/89/39/1136488939.db2.gz XBKCJWYBWQXPGF-SJORKVTESA-N 1 1 335.492 3.649 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000814666044 1136491881 /nfs/dbraw/zinc/49/18/81/1136491881.db2.gz BHVNAECVWAUVQJ-HKUYNNGSSA-N 1 1 326.827 3.735 20 30 EHEDMO CCC[N@H+]1CCc2c(N)sc(Nc3ccc(OCC#N)cc3)c2C1 ZINC001212607941 1136501117 /nfs/dbraw/zinc/50/11/17/1136501117.db2.gz HWRKQQRJUVWNAK-UHFFFAOYSA-N 1 1 342.468 3.744 20 30 EHEDMO C=CC[NH+](CC=C)CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000217200396 1136508928 /nfs/dbraw/zinc/50/89/28/1136508928.db2.gz PYRKQMDTIIEOGS-JOCHJYFZSA-N 1 1 346.474 3.835 20 30 EHEDMO CC(N=Nc1cc(F)c(F)c(F)c1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814863803 1136517106 /nfs/dbraw/zinc/51/71/06/1136517106.db2.gz CTXVMTFHCHSBBO-UHFFFAOYSA-N 1 1 333.357 3.628 20 30 EHEDMO C[C@@H]1C(N=Nc2ncncc2Cl)CCC[N@H+]1Cc1ccccc1 ZINC000814909611 1136523473 /nfs/dbraw/zinc/52/34/73/1136523473.db2.gz NMNFMAKBWVTTJT-CYBMUJFWSA-N 1 1 329.835 3.582 20 30 EHEDMO C=CC1CC[NH+](CC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000111258764 1136527985 /nfs/dbraw/zinc/52/79/85/1136527985.db2.gz MALBEUOJNCXKOA-UHFFFAOYSA-N 1 1 326.412 3.838 20 30 EHEDMO CC(=[NH+]Nc1ccc(C)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000853439034 1136532685 /nfs/dbraw/zinc/53/26/85/1136532685.db2.gz YTGUZJJFZHMTOV-UHFFFAOYSA-N 1 1 327.403 3.807 20 30 EHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815118529 1136551956 /nfs/dbraw/zinc/55/19/56/1136551956.db2.gz WUXCJEYSXDURFR-GOSISDBHSA-N 1 1 341.407 3.630 20 30 EHEDMO C=CCC[N@H+](C)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000815100475 1136556139 /nfs/dbraw/zinc/55/61/39/1136556139.db2.gz PFDYSHWDCSFBIB-CQSZACIVSA-N 1 1 332.669 3.818 20 30 EHEDMO C[N@@H+](Cc1ccc2nc(NC(=O)C#CC(C)(C)C)sc2c1)C1CC1 ZINC000855470392 1136698785 /nfs/dbraw/zinc/69/87/85/1136698785.db2.gz GGUAJJAHPOOHOV-UHFFFAOYSA-N 1 1 341.480 3.879 20 30 EHEDMO C[C@@H](NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)c1cccc(C#N)c1 ZINC000857142521 1136847705 /nfs/dbraw/zinc/84/77/05/1136847705.db2.gz WBUAWFOMGQVHSA-IIBYNOLFSA-N 1 1 347.462 3.858 20 30 EHEDMO C#CCOc1ccccc1NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857183507 1136851298 /nfs/dbraw/zinc/85/12/98/1136851298.db2.gz HHNMAIFNDZAVCL-IBGZPJMESA-N 1 1 348.446 3.760 20 30 EHEDMO C[C@H](CC#N)NN=C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000857211120 1136854372 /nfs/dbraw/zinc/85/43/72/1136854372.db2.gz AUAZINSKYAMRFR-XLIONFOSSA-N 1 1 326.488 3.802 20 30 EHEDMO C[N@H+]1CCC[C@H](c2cccc(C(=O)NCC3CCC(C#N)CC3)c2)C1 ZINC000857224725 1136855697 /nfs/dbraw/zinc/85/56/97/1136855697.db2.gz ZYPHNIVSINBPCC-UHYCVJNDSA-N 1 1 339.483 3.556 20 30 EHEDMO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](CCOCCC#N)C1 ZINC000339005696 1136896831 /nfs/dbraw/zinc/89/68/31/1136896831.db2.gz XZUVQSSTOMMQTF-OAHLLOKOSA-N 1 1 336.863 3.533 20 30 EHEDMO CC(C)c1ccc([C@@H](C[NH2+]CCC#N)NC(=O)OC(C)(C)C)cc1 ZINC000819016657 1136903332 /nfs/dbraw/zinc/90/33/32/1136903332.db2.gz QCYHQIIFVWMETL-QGZVFWFLSA-N 1 1 331.460 3.879 20 30 EHEDMO CN(CCC#N)c1ccc(CNC[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000858222293 1136950629 /nfs/dbraw/zinc/95/06/29/1136950629.db2.gz SDFGXPMMGRHAAP-OAQYLSRUSA-N 1 1 340.515 3.533 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]C2(c3nccs3)CCCC2)cc1 ZINC000116373927 1136994499 /nfs/dbraw/zinc/99/44/99/1136994499.db2.gz CXAZAIYPSMWVOW-AWEZNQCLSA-N 1 1 327.453 3.993 20 30 EHEDMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1C#N ZINC000859195621 1137007240 /nfs/dbraw/zinc/00/72/40/1137007240.db2.gz SGXGYVLGPKRDCC-YJBOKZPZSA-N 1 1 343.471 3.602 20 30 EHEDMO Cc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1C#N ZINC000859240187 1137009324 /nfs/dbraw/zinc/00/93/24/1137009324.db2.gz VIMGWBOCEPFTSE-NVXWUHKLSA-N 1 1 343.471 3.602 20 30 EHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859926658 1137036970 /nfs/dbraw/zinc/03/69/70/1137036970.db2.gz TUPJPUOONXWPNG-OKZBNKHCSA-N 1 1 333.391 3.702 20 30 EHEDMO C=C[C@@H](C(=O)N1CCC(C[N@H+](C)CCCC)CC1)c1ccccc1 ZINC001136660198 1137084934 /nfs/dbraw/zinc/08/49/34/1137084934.db2.gz GYWOGPZVLMIGFV-HXUWFJFHSA-N 1 1 328.500 3.927 20 30 EHEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2cc(F)cc(C(F)(F)F)c2)no1 ZINC000823291506 1137094616 /nfs/dbraw/zinc/09/46/16/1137094616.db2.gz QCRZIAHBLFVZAX-LLVKDONJSA-N 1 1 328.269 3.588 20 30 EHEDMO C=CCOCC[N@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000339023655 1137095139 /nfs/dbraw/zinc/09/51/39/1137095139.db2.gz ZSIHGACHRFBSNR-OAHLLOKOSA-N 1 1 343.254 3.599 20 30 EHEDMO C=CCOCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000339023655 1137095141 /nfs/dbraw/zinc/09/51/41/1137095141.db2.gz ZSIHGACHRFBSNR-OAHLLOKOSA-N 1 1 343.254 3.599 20 30 EHEDMO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(Cl)cn3)C2)cc1 ZINC001136932970 1137149346 /nfs/dbraw/zinc/14/93/46/1137149346.db2.gz ZOUJUNYTGIRNHK-SFHVURJKSA-N 1 1 327.815 3.650 20 30 EHEDMO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(Cl)cn3)C2)cc1 ZINC001136932970 1137149347 /nfs/dbraw/zinc/14/93/47/1137149347.db2.gz ZOUJUNYTGIRNHK-SFHVURJKSA-N 1 1 327.815 3.650 20 30 EHEDMO COC(=O)C1(C#N)CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000824867330 1137155283 /nfs/dbraw/zinc/15/52/83/1137155283.db2.gz NDDRAXLHULLPKI-UHFFFAOYSA-N 1 1 334.419 3.632 20 30 EHEDMO CN(CC[N@@H+](C)Cc1ccccc1)Cc1c(Cl)cccc1C#N ZINC001143731688 1137194736 /nfs/dbraw/zinc/19/47/36/1137194736.db2.gz AUVBANYRFFXLHU-UHFFFAOYSA-N 1 1 327.859 3.775 20 30 EHEDMO C[C@H]1CCC[N@@H+](CCC(C)(C)C#N)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844403661 1137217482 /nfs/dbraw/zinc/21/74/82/1137217482.db2.gz XIMIVNYHYDQWCD-HOTGVXAUSA-N 1 1 337.508 3.942 20 30 EHEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844441552 1137223769 /nfs/dbraw/zinc/22/37/69/1137223769.db2.gz OGWPJQAHNPKDKC-AWEZNQCLSA-N 1 1 341.199 3.942 20 30 EHEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844441552 1137223771 /nfs/dbraw/zinc/22/37/71/1137223771.db2.gz OGWPJQAHNPKDKC-AWEZNQCLSA-N 1 1 341.199 3.942 20 30 EHEDMO COc1c2ccccc2oc1C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865540189 1137293233 /nfs/dbraw/zinc/29/32/33/1137293233.db2.gz FWRUQJBQLOEIJM-UHFFFAOYSA-N 1 1 335.407 3.669 20 30 EHEDMO C#Cc1ccc(C[N@H+]2CC[C@]3(c4ccccc4OC3=O)C2(C)C)cc1 ZINC001144578329 1137310647 /nfs/dbraw/zinc/31/06/47/1137310647.db2.gz ALQKNULXUIWXTD-JOCHJYFZSA-N 1 1 331.415 3.509 20 30 EHEDMO C#Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)cc1 ZINC001144569736 1137311323 /nfs/dbraw/zinc/31/13/23/1137311323.db2.gz YSMRDOVBVHMMQT-PKTZIBPZSA-N 1 1 346.474 3.882 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001144568357 1137311382 /nfs/dbraw/zinc/31/13/82/1137311382.db2.gz RUSSGLUMSNQAPG-QFBILLFUSA-N 1 1 342.483 3.651 20 30 EHEDMO C#Cc1ccc(C[NH+]2CCN(c3nsc4ccccc43)CC2)cc1 ZINC001144569108 1137311394 /nfs/dbraw/zinc/31/13/94/1137311394.db2.gz KBARUNBXEDBRFH-UHFFFAOYSA-N 1 1 333.460 3.600 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC001144568333 1137311480 /nfs/dbraw/zinc/31/14/80/1137311480.db2.gz RDQFGSFXHGJUER-GOSISDBHSA-N 1 1 328.456 3.547 20 30 EHEDMO C=CC[C@H](C)[C@H](C)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1 ZINC000846050904 1137330414 /nfs/dbraw/zinc/33/04/14/1137330414.db2.gz WKCTXLQWLYGLLG-OALUTQOASA-N 1 1 345.531 3.716 20 30 EHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2cc(Br)cnc12 ZINC001144703903 1137331578 /nfs/dbraw/zinc/33/15/78/1137331578.db2.gz PESWLPVVIGKWPQ-OJNYZHBWSA-N 1 1 345.244 3.592 20 30 EHEDMO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000846116525 1137333829 /nfs/dbraw/zinc/33/38/29/1137333829.db2.gz CVUQHQYNSNNGOT-QGZVFWFLSA-N 1 1 343.471 3.671 20 30 EHEDMO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000846116525 1137333831 /nfs/dbraw/zinc/33/38/31/1137333831.db2.gz CVUQHQYNSNNGOT-QGZVFWFLSA-N 1 1 343.471 3.671 20 30 EHEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc3scnc3c1)C2 ZINC001144737622 1137341018 /nfs/dbraw/zinc/34/10/18/1137341018.db2.gz XPLXCFWKBVULKT-APWZRJJASA-N 1 1 344.480 3.622 20 30 EHEDMO C[C@H](c1ccccc1)N1CC[NH+]([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171220600 1137346048 /nfs/dbraw/zinc/34/60/48/1137346048.db2.gz AFRZUOVZPAZLSD-RBUKOAKNSA-N 1 1 333.479 3.868 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001171222346 1137348982 /nfs/dbraw/zinc/34/89/82/1137348982.db2.gz GBIMPJKYVJLKKQ-AUSIDOKSSA-N 1 1 347.506 3.943 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001171222346 1137348984 /nfs/dbraw/zinc/34/89/84/1137348984.db2.gz GBIMPJKYVJLKKQ-AUSIDOKSSA-N 1 1 347.506 3.943 20 30 EHEDMO CC[N@H+](Cc1occc1C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001171249048 1137362904 /nfs/dbraw/zinc/36/29/04/1137362904.db2.gz GUWWGQLFZIYOBH-CYBMUJFWSA-N 1 1 345.830 3.962 20 30 EHEDMO CC[N@@H+](Cc1occc1C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001171249048 1137362906 /nfs/dbraw/zinc/36/29/06/1137362906.db2.gz GUWWGQLFZIYOBH-CYBMUJFWSA-N 1 1 345.830 3.962 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)nc1 ZINC000846812451 1137368517 /nfs/dbraw/zinc/36/85/17/1137368517.db2.gz ASZZFIJTHRUQLF-LEWJYISDSA-N 1 1 335.451 3.822 20 30 EHEDMO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000847023546 1137383081 /nfs/dbraw/zinc/38/30/81/1137383081.db2.gz DNDOLSJTKRGCGM-UONOGXRCSA-N 1 1 329.831 3.720 20 30 EHEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000847023546 1137383083 /nfs/dbraw/zinc/38/30/83/1137383083.db2.gz DNDOLSJTKRGCGM-UONOGXRCSA-N 1 1 329.831 3.720 20 30 EHEDMO COc1ccc(Cl)c2c1C[C@@H]([N@@H+]1[C@@H]3CC[C@H]1C[C@H](C#N)C3)CC2 ZINC001171326466 1137420581 /nfs/dbraw/zinc/42/05/81/1137420581.db2.gz OASBWXATYSWSPW-XQLPTFJDSA-N 1 1 330.859 3.972 20 30 EHEDMO C[C@@H](C#N)c1cccc(C(=O)Nc2ccnc(-c3cc(N)cc[nH+]3)c2)c1 ZINC001148609456 1137428601 /nfs/dbraw/zinc/42/86/01/1137428601.db2.gz CLGJENNRKUSHJY-ZDUSSCGKSA-N 1 1 343.390 3.605 20 30 EHEDMO Cc1cc(C)c(COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c(C)[nH+]1 ZINC000869517579 1137455340 /nfs/dbraw/zinc/45/53/40/1137455340.db2.gz QYWZJSUORUPLJE-UHFFFAOYSA-N 1 1 338.382 3.793 20 30 EHEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC001171572992 1137499065 /nfs/dbraw/zinc/49/90/65/1137499065.db2.gz NLRMAZKUQYUQRP-CYBMUJFWSA-N 1 1 329.241 3.843 20 30 EHEDMO NC(=[NH+]OCc1noc2c1CCCC2)C12CC3CC(CC(C3)C1)C2 ZINC000123304210 1137509577 /nfs/dbraw/zinc/50/95/77/1137509577.db2.gz WIQPYCIMZSLLCT-UHFFFAOYSA-N 1 1 329.444 3.559 20 30 EHEDMO N#Cc1ccccc1O[C@H]1CCC[N@H+]([C@H]2Cc3cccc(F)c3C2)C1 ZINC001171806673 1137513977 /nfs/dbraw/zinc/51/39/77/1137513977.db2.gz IVDFVAHKBGCHBR-ROUUACIJSA-N 1 1 336.410 3.708 20 30 EHEDMO N#Cc1ccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC001172067323 1137533503 /nfs/dbraw/zinc/53/35/03/1137533503.db2.gz POEQLOFFALNNCK-REPLKXPHSA-N 1 1 335.451 3.827 20 30 EHEDMO C#C[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001172102715 1137536567 /nfs/dbraw/zinc/53/65/67/1137536567.db2.gz PQMXRZPWSJMIOF-BDXSIMOUSA-N 1 1 332.488 3.652 20 30 EHEDMO N#C[C@H](CCc1ccccc1)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888574796 1137542250 /nfs/dbraw/zinc/54/22/50/1137542250.db2.gz QDJULEZRYDNDNM-SFHVURJKSA-N 1 1 348.450 3.783 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001172307814 1137545670 /nfs/dbraw/zinc/54/56/70/1137545670.db2.gz QZMMJIWYMJPJSL-QGZVFWFLSA-N 1 1 335.451 3.565 20 30 EHEDMO Cc1ccnc(O[C@H]2CCC[N@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)c1 ZINC001172313050 1137546202 /nfs/dbraw/zinc/54/62/02/1137546202.db2.gz OGVXWSIGAHFRMN-XLIONFOSSA-N 1 1 335.451 3.736 20 30 EHEDMO Cc1ccnc(O[C@@H]2CCC[N@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)c1 ZINC001172313048 1137546320 /nfs/dbraw/zinc/54/63/20/1137546320.db2.gz OGVXWSIGAHFRMN-FXAWDEMLSA-N 1 1 335.451 3.736 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)n1ccc(C[NH2+]Cc2ccccc2)n1 ZINC001172313175 1137546352 /nfs/dbraw/zinc/54/63/52/1137546352.db2.gz QTTIPTNTOQRYIK-QGZVFWFLSA-N 1 1 330.435 3.848 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1(c2ccccc2Cl)COC1 ZINC001172297070 1137548770 /nfs/dbraw/zinc/54/87/70/1137548770.db2.gz AGDSROZPOYDGSO-CQSZACIVSA-N 1 1 326.827 3.658 20 30 EHEDMO CCCCCCC[C@H](CC)[N@@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001172357264 1137554215 /nfs/dbraw/zinc/55/42/15/1137554215.db2.gz KQIRSYIGYOWWKK-WMZOPIPTSA-N 1 1 336.524 3.983 20 30 EHEDMO CCCCCCC[C@H](CC)[N@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001172357264 1137554216 /nfs/dbraw/zinc/55/42/16/1137554216.db2.gz KQIRSYIGYOWWKK-WMZOPIPTSA-N 1 1 336.524 3.983 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001172359308 1137554537 /nfs/dbraw/zinc/55/45/37/1137554537.db2.gz VLDFYCYLAZZQBF-DLBZAZTESA-N 1 1 336.524 3.983 20 30 EHEDMO CCCCCCC[C@@H](CC)[N@@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001172359308 1137554539 /nfs/dbraw/zinc/55/45/39/1137554539.db2.gz VLDFYCYLAZZQBF-DLBZAZTESA-N 1 1 336.524 3.983 20 30 EHEDMO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872066102 1137569375 /nfs/dbraw/zinc/56/93/75/1137569375.db2.gz DYFOONSWPUKGOP-ZBEGNZNMSA-N 1 1 325.343 3.944 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000876770845 1137660785 /nfs/dbraw/zinc/66/07/85/1137660785.db2.gz QVRQBIBHMMQGOS-INIZCTEOSA-N 1 1 341.842 3.645 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000876770845 1137660786 /nfs/dbraw/zinc/66/07/86/1137660786.db2.gz QVRQBIBHMMQGOS-INIZCTEOSA-N 1 1 341.842 3.645 20 30 EHEDMO C[C@@H](C#N)C[N@H+](Cc1cccc(CNC(=O)OC(C)(C)C)c1)C1CC1 ZINC000876791071 1137661385 /nfs/dbraw/zinc/66/13/85/1137661385.db2.gz DRSHYHOCZWWENZ-HNNXBMFYSA-N 1 1 343.471 3.835 20 30 EHEDMO C[C@@H](C#N)C[N@@H+](Cc1cccc(CNC(=O)OC(C)(C)C)c1)C1CC1 ZINC000876791071 1137661386 /nfs/dbraw/zinc/66/13/86/1137661386.db2.gz DRSHYHOCZWWENZ-HNNXBMFYSA-N 1 1 343.471 3.835 20 30 EHEDMO CC[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc2c(c1)OCCO2 ZINC000876957706 1137666206 /nfs/dbraw/zinc/66/62/06/1137666206.db2.gz ZWCZLGZBWNSTEW-OAHLLOKOSA-N 1 1 343.814 3.619 20 30 EHEDMO Cc1cc(C[N@@H+](C)CCc2cccc(C#N)c2)ncc1Br ZINC000877704417 1137686388 /nfs/dbraw/zinc/68/63/88/1137686388.db2.gz HXTQLKGROKGBIL-UHFFFAOYSA-N 1 1 344.256 3.699 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2Cc3cccnc3N3CCC[C@@H]3C2)cc1 ZINC000877714578 1137686699 /nfs/dbraw/zinc/68/66/99/1137686699.db2.gz ZZIUTGDPJAWLKZ-HXUWFJFHSA-N 1 1 346.478 3.867 20 30 EHEDMO COc1cc(C[N@@H+]2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)ccc1C#N ZINC000877783931 1137689699 /nfs/dbraw/zinc/68/96/99/1137689699.db2.gz KZZUJWKROSXABU-QGZVFWFLSA-N 1 1 338.455 3.793 20 30 EHEDMO COc1cc(C[N@H+]2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)ccc1C#N ZINC000877783931 1137689700 /nfs/dbraw/zinc/68/97/00/1137689700.db2.gz KZZUJWKROSXABU-QGZVFWFLSA-N 1 1 338.455 3.793 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1Cc2ccccc2C[C@@H]1C)c1ccccc1 ZINC000878132089 1137703790 /nfs/dbraw/zinc/70/37/90/1137703790.db2.gz KSGZXHINAFPAFA-HTAPYJJXSA-N 1 1 332.447 3.874 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@H]1Cc1ccccc1)c1ccccc1 ZINC000878176029 1137705954 /nfs/dbraw/zinc/70/59/54/1137705954.db2.gz BEDCCZYUWZYQAF-VXKWHMMOSA-N 1 1 332.447 3.744 20 30 EHEDMO C=CCCC[C@H](C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000878274726 1137709352 /nfs/dbraw/zinc/70/93/52/1137709352.db2.gz CHLHKYHLRQYJAS-ZCNNSNEGSA-N 1 1 326.484 3.870 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCC[N@H+]2CC2(CC#N)CC2)C1 ZINC000878655385 1137723843 /nfs/dbraw/zinc/72/38/43/1137723843.db2.gz OAUYGWATGZOVIQ-IAGOWNOFSA-N 1 1 347.503 3.792 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCC[N@H+]2CC2(CC#N)CC2)C1 ZINC000878655386 1137723929 /nfs/dbraw/zinc/72/39/29/1137723929.db2.gz OAUYGWATGZOVIQ-IRXDYDNUSA-N 1 1 347.503 3.792 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000878728427 1137726558 /nfs/dbraw/zinc/72/65/58/1137726558.db2.gz OEELBZUHIRYNNS-APWZRJJASA-N 1 1 328.456 3.527 20 30 EHEDMO CC1(C)C[C@H](C[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)C(C)(C)O1 ZINC000878887774 1137731095 /nfs/dbraw/zinc/73/10/95/1137731095.db2.gz HQSNIWGPNIUACJ-OXQOHEQNSA-N 1 1 327.472 3.532 20 30 EHEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC000880024446 1137765790 /nfs/dbraw/zinc/76/57/90/1137765790.db2.gz JKMBJMSADSWZPN-OLZOCXBDSA-N 1 1 336.398 3.588 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)o1 ZINC000880276120 1137772844 /nfs/dbraw/zinc/77/28/44/1137772844.db2.gz BHEOYUZYRDZPOD-MRXNPFEDSA-N 1 1 332.407 3.921 20 30 EHEDMO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000626130427 1137775530 /nfs/dbraw/zinc/77/55/30/1137775530.db2.gz SSRMAYMEQUDPDV-UHFFFAOYSA-N 1 1 343.430 3.783 20 30 EHEDMO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000626130427 1137775531 /nfs/dbraw/zinc/77/55/31/1137775531.db2.gz SSRMAYMEQUDPDV-UHFFFAOYSA-N 1 1 343.430 3.783 20 30 EHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C3CC3)c(C#N)c2)C[C@@H]1C ZINC000881125881 1137800801 /nfs/dbraw/zinc/80/08/01/1137800801.db2.gz WBCQFFFTLOYJRC-KSSFIOAISA-N 1 1 340.471 3.772 20 30 EHEDMO CC(C)(C#N)CCCn1cc(C[NH2+][C@@H]2CCCc3ccccc32)nn1 ZINC000881392340 1137806719 /nfs/dbraw/zinc/80/67/19/1137806719.db2.gz TXFRNRLKTYMBRA-LJQANCHMSA-N 1 1 337.471 3.775 20 30 EHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cccc(CC#N)n2)cc1 ZINC000882475552 1137828389 /nfs/dbraw/zinc/82/83/89/1137828389.db2.gz QRDWIBAFRLSJQR-UHFFFAOYSA-N 1 1 336.439 3.632 20 30 EHEDMO C=CCC[C@H](Cc1ccccc1)[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000883191261 1137847840 /nfs/dbraw/zinc/84/78/40/1137847840.db2.gz XYXGZYFYMQFTDG-IFMALSPDSA-N 1 1 342.527 3.654 20 30 EHEDMO C=CCCC[C@H](NC(=O)NCCn1cc[nH+]c1C)c1ccccc1 ZINC000883263683 1137851391 /nfs/dbraw/zinc/85/13/91/1137851391.db2.gz CLCFVOVXKMQNFU-SFHVURJKSA-N 1 1 326.444 3.588 20 30 EHEDMO Fc1cc(F)cc(C(F)(F)C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000883280967 1137852349 /nfs/dbraw/zinc/85/23/49/1137852349.db2.gz VANADHXPWZIKGX-RYUDHWBXSA-N 1 1 345.258 3.756 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CC[C@H](C)C2)c1C ZINC000429561698 1137885830 /nfs/dbraw/zinc/88/58/30/1137885830.db2.gz SENFHBDTUXGTMR-YJBOKZPZSA-N 1 1 327.472 3.671 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000108355698 1137889281 /nfs/dbraw/zinc/88/92/81/1137889281.db2.gz YHCSNJRBDSSBCG-GJZGRUSLSA-N 1 1 331.485 3.751 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000108355698 1137889282 /nfs/dbraw/zinc/88/92/82/1137889282.db2.gz YHCSNJRBDSSBCG-GJZGRUSLSA-N 1 1 331.485 3.751 20 30 EHEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(OCc2ccccn2)c1 ZINC000112532457 1137908513 /nfs/dbraw/zinc/90/85/13/1137908513.db2.gz JYSSJGYQBODIOU-DLBZAZTESA-N 1 1 334.423 3.755 20 30 EHEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000112699001 1137909433 /nfs/dbraw/zinc/90/94/33/1137909433.db2.gz WJAGQDGDIBRZAW-KRWDZBQOSA-N 1 1 327.453 3.887 20 30 EHEDMO Cc1ccc(C[C@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C#N)cc1 ZINC000113264299 1137912396 /nfs/dbraw/zinc/91/23/96/1137912396.db2.gz IAIJERMHCFWOHE-QGZVFWFLSA-N 1 1 339.464 3.574 20 30 EHEDMO Cc1ccc(C[C@H]2CCC[N@H+]2CC(=O)Nc2sccc2C#N)cc1 ZINC000113264299 1137912397 /nfs/dbraw/zinc/91/23/97/1137912397.db2.gz IAIJERMHCFWOHE-QGZVFWFLSA-N 1 1 339.464 3.574 20 30 EHEDMO CCc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)NC2(C#N)CCCCC2)o1 ZINC000331569579 1137913036 /nfs/dbraw/zinc/91/30/36/1137913036.db2.gz HKNKTYVDUCTOPP-WBVHZDCISA-N 1 1 343.471 3.710 20 30 EHEDMO CCc1ccc([C@@H]2CCC[N@H+]2[C@H](C)C(=O)NC2(C#N)CCCCC2)o1 ZINC000331569579 1137913037 /nfs/dbraw/zinc/91/30/37/1137913037.db2.gz HKNKTYVDUCTOPP-WBVHZDCISA-N 1 1 343.471 3.710 20 30 EHEDMO C[C@@H]1C[NH+](Cc2ccccc2NCc2ccc(C#N)s2)C[C@@H](C)O1 ZINC000119480950 1137942187 /nfs/dbraw/zinc/94/21/87/1137942187.db2.gz XUBLNOZYHAYUPE-HUUCEWRRSA-N 1 1 341.480 3.841 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000121039950 1137954612 /nfs/dbraw/zinc/95/46/12/1137954612.db2.gz XBOSEMWCBZDAKI-INIZCTEOSA-N 1 1 349.434 3.512 20 30 EHEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(COC)o2)cc1 ZINC000137083785 1138046168 /nfs/dbraw/zinc/04/61/68/1138046168.db2.gz LLUUBNLBQHRZLI-LJQANCHMSA-N 1 1 325.408 3.775 20 30 EHEDMO COc1ccc(C[C@@H]2CCCC[N@H+]2C[C@H](O)CC2(C#N)CCC2)cc1 ZINC000886267483 1138062802 /nfs/dbraw/zinc/06/28/02/1138062802.db2.gz NXLAMQWIAYUIRF-RBUKOAKNSA-N 1 1 342.483 3.537 20 30 EHEDMO COc1cccc([C@@H]2CC[N@@H+](C[C@@H](O)CC3(C#N)CCC3)C2(C)C)c1 ZINC000886316827 1138066645 /nfs/dbraw/zinc/06/66/45/1138066645.db2.gz OAVFUPGNYWXOKX-HKUYNNGSSA-N 1 1 342.483 3.708 20 30 EHEDMO C#CC[C@H]1CC[N@@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)C1 ZINC000886367124 1138071262 /nfs/dbraw/zinc/07/12/62/1138071262.db2.gz LARZWPBOQYNLGJ-NSHDSACASA-N 1 1 336.222 3.889 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)C1 ZINC000886367124 1138071264 /nfs/dbraw/zinc/07/12/64/1138071264.db2.gz LARZWPBOQYNLGJ-NSHDSACASA-N 1 1 336.222 3.889 20 30 EHEDMO CC(C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072664150 1138106856 /nfs/dbraw/zinc/10/68/56/1138106856.db2.gz HWTKORKGMQGPES-INIZCTEOSA-N 1 1 331.485 3.751 20 30 EHEDMO C[C@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072663552 1138106868 /nfs/dbraw/zinc/10/68/68/1138106868.db2.gz ORAXPWRGJQUMGH-ZOBUZTSGSA-N 1 1 343.496 3.894 20 30 EHEDMO CC(C)(CCC#N)C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000092939091 1138232866 /nfs/dbraw/zinc/23/28/66/1138232866.db2.gz ZGVOHVIQYRNEJR-UHFFFAOYSA-N 1 1 329.444 3.523 20 30 EHEDMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000127879562 1138374072 /nfs/dbraw/zinc/37/40/72/1138374072.db2.gz VYYMTAGHENBBDG-LSDHHAIUSA-N 1 1 328.485 3.645 20 30 EHEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000127879562 1138374075 /nfs/dbraw/zinc/37/40/75/1138374075.db2.gz VYYMTAGHENBBDG-LSDHHAIUSA-N 1 1 328.485 3.645 20 30 EHEDMO COc1cc(C[N@@H+](C)Cc2ccc(OCC#N)cc2)ccc1SC ZINC000264101075 1138419017 /nfs/dbraw/zinc/41/90/17/1138419017.db2.gz HUCWARGUUKAWKW-UHFFFAOYSA-N 1 1 342.464 3.951 20 30 EHEDMO N#Cc1c(Cl)nsc1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264297385 1138466731 /nfs/dbraw/zinc/46/67/31/1138466731.db2.gz LFNYXSNZLWCWHH-CQSZACIVSA-N 1 1 346.887 3.645 20 30 EHEDMO C[NH+](C)Cc1cc(NC(=O)c2cccc(CC#N)c2)ccc1Cl ZINC000337258383 1138511233 /nfs/dbraw/zinc/51/12/33/1138511233.db2.gz UQZBENOGBFKHQQ-UHFFFAOYSA-N 1 1 327.815 3.720 20 30 EHEDMO COc1ccc(C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)cc1C#N ZINC000135189869 1138732835 /nfs/dbraw/zinc/73/28/35/1138732835.db2.gz CNFFUMFDYPMQKM-INIZCTEOSA-N 1 1 327.453 3.841 20 30 EHEDMO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccccc1C(C)(C)C#N ZINC000135274272 1138740040 /nfs/dbraw/zinc/74/00/40/1138740040.db2.gz LCOAUDDMSFGPEW-DEOSSOPVSA-N 1 1 340.492 3.857 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccncc1F ZINC000338357031 1138852757 /nfs/dbraw/zinc/85/27/57/1138852757.db2.gz JIOJCPMMNDFXBA-KGLIPLIRSA-N 1 1 347.459 3.536 20 30 EHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000152154179 1139075899 /nfs/dbraw/zinc/07/58/99/1139075899.db2.gz KRHAPNCRYKJZQU-INIZCTEOSA-N 1 1 340.858 3.567 20 30 EHEDMO Clc1cccc(C#CC[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000152173653 1139078036 /nfs/dbraw/zinc/07/80/36/1139078036.db2.gz KJVUXOWCKLTVSO-MRXNPFEDSA-N 1 1 340.858 3.567 20 30 EHEDMO N#CCC[C@@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000153663347 1139146532 /nfs/dbraw/zinc/14/65/32/1139146532.db2.gz YQWGSMSHOIAIAN-AZUAARDMSA-N 1 1 339.483 3.802 20 30 EHEDMO CC1CC[NH+]([C@H](CNCc2ccc(C#N)o2)c2cccs2)CC1 ZINC000174240044 1139408103 /nfs/dbraw/zinc/40/81/03/1139408103.db2.gz RBGZHXNBQPCNJZ-QGZVFWFLSA-N 1 1 329.469 3.776 20 30 EHEDMO C=CCc1cc(C[NH2+][C@@H](COC)c2ccc(CC)o2)cc(OC)c1O ZINC000174476327 1139421985 /nfs/dbraw/zinc/42/19/85/1139421985.db2.gz DKONMDYLIRBXKK-KRWDZBQOSA-N 1 1 345.439 3.762 20 30 EHEDMO C=CCCCC(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000178813518 1139719243 /nfs/dbraw/zinc/71/92/43/1139719243.db2.gz ONIIAVLDEUVCHK-GOSISDBHSA-N 1 1 338.455 3.625 20 30 EHEDMO CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1 ZINC000181832497 1139935354 /nfs/dbraw/zinc/93/53/54/1139935354.db2.gz ZYOUBRSPMRTPPC-LJQANCHMSA-N 1 1 340.398 3.870 20 30 EHEDMO Cc1cnc([C@@H](C)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000181863460 1139937373 /nfs/dbraw/zinc/93/73/73/1139937373.db2.gz VLCWDIPQSHEKCB-OAHLLOKOSA-N 1 1 340.496 3.638 20 30 EHEDMO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2SCC#N)[C@H]2CCCC[C@H]12 ZINC000182502158 1139976478 /nfs/dbraw/zinc/97/64/78/1139976478.db2.gz NIQQWCROYKTVRF-UXLLHSPISA-N 1 1 343.496 3.751 20 30 EHEDMO C[C@H]1CCSCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000191812447 1140486284 /nfs/dbraw/zinc/48/62/84/1140486284.db2.gz MADHIGDAILYSHN-INIZCTEOSA-N 1 1 340.496 3.791 20 30 EHEDMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)[C@H](C)CO1 ZINC000266502623 1140695536 /nfs/dbraw/zinc/69/55/36/1140695536.db2.gz AZQAYFPLZCBCJM-UTKZUKDTSA-N 1 1 336.435 3.859 20 30 EHEDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)[C@H](C)CO1 ZINC000266502623 1140695538 /nfs/dbraw/zinc/69/55/38/1140695538.db2.gz AZQAYFPLZCBCJM-UTKZUKDTSA-N 1 1 336.435 3.859 20 30 EHEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000267448385 1140791958 /nfs/dbraw/zinc/79/19/58/1140791958.db2.gz LHYHWNXVGJSXBP-SJLPKXTDSA-N 1 1 342.464 3.739 20 30 EHEDMO CC(C)c1nc(C2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)no1 ZINC000268197869 1140901079 /nfs/dbraw/zinc/90/10/79/1140901079.db2.gz HDSWWPCBIHXQKJ-UHFFFAOYSA-N 1 1 328.391 3.583 20 30 EHEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268211149 1140903911 /nfs/dbraw/zinc/90/39/11/1140903911.db2.gz OWUNJQJGYPDKGV-XLIONFOSSA-N 1 1 326.484 3.924 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000268707856 1140973984 /nfs/dbraw/zinc/97/39/84/1140973984.db2.gz SPNPYAWJYNILEX-PXNSSMCTSA-N 1 1 338.476 3.706 20 30 EHEDMO COc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1C#N ZINC000269722306 1141138070 /nfs/dbraw/zinc/13/80/70/1141138070.db2.gz UTNYCASIOHMZSP-DLBZAZTESA-N 1 1 342.464 3.716 20 30 EHEDMO COc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)c(Cl)c1OC ZINC000271034502 1141297664 /nfs/dbraw/zinc/29/76/64/1141297664.db2.gz DZHXRTXLGHATAK-UHFFFAOYSA-N 1 1 330.815 3.861 20 30 EHEDMO COc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c(Cl)c1OC ZINC000271034502 1141297667 /nfs/dbraw/zinc/29/76/67/1141297667.db2.gz DZHXRTXLGHATAK-UHFFFAOYSA-N 1 1 330.815 3.861 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)cc1 ZINC000271208740 1141325761 /nfs/dbraw/zinc/32/57/61/1141325761.db2.gz WYQBAIREGWRACK-QFIPXVFZSA-N 1 1 349.478 3.518 20 30 EHEDMO C=CCOCCC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339175781 1141518875 /nfs/dbraw/zinc/51/88/75/1141518875.db2.gz YIYHEMFTMRUORI-HNNXBMFYSA-N 1 1 325.250 3.574 20 30 EHEDMO C=CCOCCC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339175781 1141518877 /nfs/dbraw/zinc/51/88/77/1141518877.db2.gz YIYHEMFTMRUORI-HNNXBMFYSA-N 1 1 325.250 3.574 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)cc(OC)c1O ZINC000348555171 1141550723 /nfs/dbraw/zinc/55/07/23/1141550723.db2.gz ZWIFFRKWYSWAMU-MAUKXSAKSA-N 1 1 333.472 3.645 20 30 EHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc2c(c1)ncn2C ZINC000348869720 1141600458 /nfs/dbraw/zinc/60/04/58/1141600458.db2.gz OKSJRHQGHBPFBF-UHFFFAOYSA-N 1 1 337.471 3.929 20 30 EHEDMO Cc1nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1CC#N ZINC001164627494 719100691 /nfs/dbraw/zinc/10/06/91/719100691.db2.gz KZWCDOYAZIBOPZ-SFTDATJTSA-N 1 1 346.478 3.557 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(C2CC2)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573341209 947528127 /nfs/dbraw/zinc/52/81/27/947528127.db2.gz JUGQVORLGFRHDY-UHFFFAOYSA-N 1 1 345.450 3.932 20 30 EHEDMO CC[N@@H+](C[C@H](C)C#N)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000108975647 1014790017 /nfs/dbraw/zinc/79/00/17/1014790017.db2.gz SJGURQPMRKVQIV-XLIONFOSSA-N 1 1 338.451 3.575 20 30 EHEDMO CC[N@H+](C[C@H](C)C#N)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000108975647 1014790028 /nfs/dbraw/zinc/79/00/28/1014790028.db2.gz SJGURQPMRKVQIV-XLIONFOSSA-N 1 1 338.451 3.575 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2coc(-c3cccs3)n2)no1 ZINC000904537101 1032105313 /nfs/dbraw/zinc/10/53/13/1032105313.db2.gz CUNFGCPYZDDCRY-LBPRGKRZSA-N 1 1 330.413 3.733 20 30 EHEDMO C[C@H]1C[C@@H](c2ccccc2)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000285803510 1015100111 /nfs/dbraw/zinc/10/01/11/1015100111.db2.gz UPJXCSDXCUFAKT-BBRMVZONSA-N 1 1 325.437 3.641 20 30 EHEDMO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000285803510 1015100118 /nfs/dbraw/zinc/10/01/18/1015100118.db2.gz UPJXCSDXCUFAKT-BBRMVZONSA-N 1 1 325.437 3.641 20 30 EHEDMO N#CC1(CCC[N@H+]2CCS[C@H](c3ccccc3)C2)CCOCC1 ZINC000375596003 1015192487 /nfs/dbraw/zinc/19/24/87/1015192487.db2.gz JDXMSLCLZCBPAA-SFHVURJKSA-N 1 1 330.497 3.877 20 30 EHEDMO CCOc1ccccc1C[N@@H+](CCCCC#N)CCCn1ccnc1 ZINC000071114568 1125497415 /nfs/dbraw/zinc/49/74/15/1125497415.db2.gz MFNRCWOTCNSIRK-UHFFFAOYSA-N 1 1 340.471 3.868 20 30 EHEDMO C=CCOc1ccc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000620192198 1125503658 /nfs/dbraw/zinc/50/36/58/1125503658.db2.gz REAAOZJLZGQQKS-QGZVFWFLSA-N 1 1 330.472 3.636 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc2c(c1)CC(=O)N2C ZINC000274869823 1015544980 /nfs/dbraw/zinc/54/49/80/1015544980.db2.gz WSSUVBJRBSCVEH-GFCCVEGCSA-N 1 1 339.826 3.581 20 30 EHEDMO CC1=C[C@H](C)C[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000430274642 1015706289 /nfs/dbraw/zinc/70/62/89/1015706289.db2.gz FHCXLYIEIMMQGJ-GOEBONIOSA-N 1 1 343.496 3.775 20 30 EHEDMO CC1=C[C@H](C)C[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000430274642 1015706296 /nfs/dbraw/zinc/70/62/96/1015706296.db2.gz FHCXLYIEIMMQGJ-GOEBONIOSA-N 1 1 343.496 3.775 20 30 EHEDMO C[N@@H+](CCCOc1ccc(Cl)cc1)CCOc1ccccc1C#N ZINC001167094626 1015741185 /nfs/dbraw/zinc/74/11/85/1015741185.db2.gz WUDQPXFWWKXUCL-UHFFFAOYSA-N 1 1 344.842 3.991 20 30 EHEDMO C[C@H](Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2)c1cccc(C#N)c1 ZINC001167709208 1016502364 /nfs/dbraw/zinc/50/23/64/1016502364.db2.gz KNMWMYWARANKQY-ZDUSSCGKSA-N 1 1 336.395 3.627 20 30 EHEDMO C[C@H](Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2)c1cccc(C#N)c1 ZINC001167709208 1016502378 /nfs/dbraw/zinc/50/23/78/1016502378.db2.gz KNMWMYWARANKQY-ZDUSSCGKSA-N 1 1 336.395 3.627 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)c1cccc(C#N)c1 ZINC000189867881 1016756207 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EHEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000278725136 1032151472 /nfs/dbraw/zinc/15/14/72/1032151472.db2.gz VKZBDCAPNGUGPC-UHOFOFEASA-N 1 1 335.245 3.515 20 30 EHEDMO C#CC[N@@H+](Cc1nc(C)c(Br)s1)C1CCCCC1 ZINC001167273864 1016911798 /nfs/dbraw/zinc/91/17/98/1016911798.db2.gz RVOZYUPPCMOCBI-UHFFFAOYSA-N 1 1 327.291 3.982 20 30 EHEDMO C#CC[N@H+](Cc1nc(C)c(Br)s1)C1CCCCC1 ZINC001167273864 1016911828 /nfs/dbraw/zinc/91/18/28/1016911828.db2.gz RVOZYUPPCMOCBI-UHFFFAOYSA-N 1 1 327.291 3.982 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(C(=O)OC)ccc1F ZINC001167274145 1016926013 /nfs/dbraw/zinc/92/60/13/1016926013.db2.gz ZMUFQEZSUIOWPZ-UHFFFAOYSA-N 1 1 327.399 3.843 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(CC(=O)Nc2c(C)cc(C)cc2C)no1 ZINC000904681036 1032177966 /nfs/dbraw/zinc/17/79/66/1032177966.db2.gz GUQKXTIERQVARF-OAHLLOKOSA-N 1 1 342.443 3.532 20 30 EHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc(C#N)cn2C)cc1 ZINC000081032105 1032251407 /nfs/dbraw/zinc/25/14/07/1032251407.db2.gz 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CC[N@@H+](C[C@@H](C)C#N)C[C@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000513451070 1019700876 /nfs/dbraw/zinc/70/08/76/1019700876.db2.gz NRGGPGBCRDMZTB-YJBOKZPZSA-N 1 1 332.488 3.514 20 30 EHEDMO CC[N@H+](C[C@@H](C)C#N)C[C@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000513451070 1019700892 /nfs/dbraw/zinc/70/08/92/1019700892.db2.gz NRGGPGBCRDMZTB-YJBOKZPZSA-N 1 1 332.488 3.514 20 30 EHEDMO CCN(Cc1cccc(C#N)n1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000602449817 1032881123 /nfs/dbraw/zinc/88/11/23/1032881123.db2.gz SSRCUBHSACJKMI-DYESRHJHSA-N 1 1 334.467 3.611 20 30 EHEDMO N#Cc1ccc([C@H]2C[N@H+](Cc3cc4ccncc4s3)CCO2)cc1 ZINC000897596192 1032888890 /nfs/dbraw/zinc/88/88/90/1032888890.db2.gz NCYVUHNDHWVXOQ-GOSISDBHSA-N 1 1 335.432 3.741 20 30 EHEDMO N#Cc1ccc([C@H]2C[N@@H+](Cc3cc4ccncc4s3)CCO2)cc1 ZINC000897596192 1032888899 /nfs/dbraw/zinc/88/88/99/1032888899.db2.gz NCYVUHNDHWVXOQ-GOSISDBHSA-N 1 1 335.432 3.741 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000602443292 1032890571 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C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000437569181 1021956553 /nfs/dbraw/zinc/95/65/53/1021956553.db2.gz MYOMQGMXWPLDQE-JTEYQQGYSA-N 1 1 339.483 3.753 20 30 EHEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H]1c1ccccc1 ZINC000437569181 1021956561 /nfs/dbraw/zinc/95/65/61/1021956561.db2.gz MYOMQGMXWPLDQE-JTEYQQGYSA-N 1 1 339.483 3.753 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000440132576 1021971363 /nfs/dbraw/zinc/97/13/63/1021971363.db2.gz BZHOLKOYHPBJNJ-IBGZPJMESA-N 1 1 328.456 3.987 20 30 EHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000441207576 1022063685 /nfs/dbraw/zinc/06/36/85/1022063685.db2.gz NFTPXHYGUZNBEV-DLBZAZTESA-N 1 1 337.385 3.805 20 30 EHEDMO COC(=O)[C@H](C[C@H]1CCCc2ccccc21)[NH2+]C[C@H](C)CCC#N ZINC000602642907 1033033981 /nfs/dbraw/zinc/03/39/81/1033033981.db2.gz JAQCIDACFQZKPQ-SUMDDJOVSA-N 1 1 328.456 3.568 20 30 EHEDMO N#Cc1ccnc(NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000341541756 1022216469 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/nfs/dbraw/zinc/81/62/52/1023816252.db2.gz DXWWYULJRRTKBH-IRXDYDNUSA-N 1 1 329.488 3.825 20 30 EHEDMO COc1cc(C#N)ccc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000121096196 1023982202 /nfs/dbraw/zinc/98/22/02/1023982202.db2.gz PXIJYSHVFOAASE-FQEVSTJZSA-N 1 1 349.478 3.521 20 30 EHEDMO C[C@@H](NC(=O)[C@@H]1CC(=O)N[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000329650658 1023983446 /nfs/dbraw/zinc/98/34/46/1023983446.db2.gz CJVXRMNOXHTYAG-AHCXZYCDSA-N 1 1 343.471 3.609 20 30 EHEDMO CCC[N@@H+](Cc1ccnc(C#N)c1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000610993112 1024000977 /nfs/dbraw/zinc/00/09/77/1024000977.db2.gz DPHPOSAZISNJGS-MOPGFXCFSA-N 1 1 327.472 3.903 20 30 EHEDMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000190484830 1024044329 /nfs/dbraw/zinc/04/43/29/1024044329.db2.gz GAKUCXFXJZJHPZ-HNNXBMFYSA-N 1 1 346.434 3.889 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000614584046 1024065520 /nfs/dbraw/zinc/06/55/20/1024065520.db2.gz UWHMPTJQMXIXCO-JOCHJYFZSA-N 1 1 345.446 3.584 20 30 EHEDMO CCC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)CC1CC1 ZINC000051281461 1024118794 /nfs/dbraw/zinc/11/87/94/1024118794.db2.gz OXIJOANSRIHKOM-UHFFFAOYSA-N 1 1 327.472 3.672 20 30 EHEDMO CC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(C)C ZINC000514116459 1024160731 /nfs/dbraw/zinc/16/07/31/1024160731.db2.gz HVIIMDMBAMOJOH-UHFFFAOYSA-N 1 1 333.501 3.805 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000614600937 1024175088 /nfs/dbraw/zinc/17/50/88/1024175088.db2.gz PMDKSYKPIJLYAJ-INMHGKMJSA-N 1 1 343.496 3.751 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000614600936 1024176130 /nfs/dbraw/zinc/17/61/30/1024176130.db2.gz PMDKSYKPIJLYAJ-HLLBOEOZSA-N 1 1 343.496 3.751 20 30 EHEDMO CCC(CC)CN(CCC#N)C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000346086876 1024260265 /nfs/dbraw/zinc/26/02/65/1024260265.db2.gz NJHCJBMEJRYOJH-KRWDZBQOSA-N 1 1 341.499 3.612 20 30 EHEDMO CCC(CC)CN(CCC#N)C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000346086876 1024260275 /nfs/dbraw/zinc/26/02/75/1024260275.db2.gz NJHCJBMEJRYOJH-KRWDZBQOSA-N 1 1 341.499 3.612 20 30 EHEDMO CCCCCCCCCCC(=O)N1CCC[C@@]2(C1)C[N@H+](C)CCO2 ZINC001269832205 1024261326 /nfs/dbraw/zinc/26/13/26/1024261326.db2.gz JLOCXZPEUBDULD-FQEVSTJZSA-N 1 1 338.536 3.840 20 30 EHEDMO CCCCCCCCCCC(=O)N1CCC[C@@]2(C1)C[N@@H+](C)CCO2 ZINC001269832205 1024261340 /nfs/dbraw/zinc/26/13/40/1024261340.db2.gz JLOCXZPEUBDULD-FQEVSTJZSA-N 1 1 338.536 3.840 20 30 EHEDMO Cc1cnc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(O)c1 ZINC000330208050 1024356487 /nfs/dbraw/zinc/35/64/87/1024356487.db2.gz ASQHRNKOKBTOLO-GUYCJALGSA-N 1 1 345.468 3.545 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3cccnc3)C2)c(OC(F)F)c1 ZINC000602857975 1033212078 /nfs/dbraw/zinc/21/20/78/1033212078.db2.gz ZRGNFOVRKFBKGF-INIZCTEOSA-N 1 1 343.377 3.934 20 30 EHEDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC000608240706 1024493088 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N#Cc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cs1 ZINC000895640798 1024685416 /nfs/dbraw/zinc/68/54/16/1024685416.db2.gz JUOQUFHSRXAJCQ-MRXNPFEDSA-N 1 1 325.437 3.545 20 30 EHEDMO Cc1cc(Br)cc2c1C[N@@H+](CCCSCC#N)CC2 ZINC000342292567 1024751538 /nfs/dbraw/zinc/75/15/38/1024751538.db2.gz FNQQNIRKYFWOFX-UHFFFAOYSA-N 1 1 339.302 3.763 20 30 EHEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000507930923 1024780081 /nfs/dbraw/zinc/78/00/81/1024780081.db2.gz OCHCWTIMFCNHSR-HNNXBMFYSA-N 1 1 341.405 3.715 20 30 EHEDMO Cc1ccc(C[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)cc1C#N ZINC000602883642 1033234602 /nfs/dbraw/zinc/23/46/02/1033234602.db2.gz QBUMBPHJNVGPIB-SFHVURJKSA-N 1 1 328.419 3.799 20 30 EHEDMO CCCC[C@H](CC)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCS)C2 ZINC001269952961 1024892809 /nfs/dbraw/zinc/89/28/09/1024892809.db2.gz BRXYUGDRCDXRHM-HKUYNNGSSA-N 1 1 340.577 3.837 20 30 EHEDMO C=CC[C@H](CC)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000281331897 1024906603 /nfs/dbraw/zinc/90/66/03/1024906603.db2.gz KCFXLNRVANEIPY-INIZCTEOSA-N 1 1 333.501 3.712 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000281336992 1024937169 /nfs/dbraw/zinc/93/71/69/1024937169.db2.gz YZLXSPYTOFSEAL-LPHOPBHVSA-N 1 1 333.435 3.604 20 30 EHEDMO C=CCC(C)(C)C(=O)N1CCC[C@@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001269976932 1024981095 /nfs/dbraw/zinc/98/10/95/1024981095.db2.gz DZWWLPYKRWZMDC-OAQYLSRUSA-N 1 1 343.515 3.822 20 30 EHEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000157688036 1025043572 /nfs/dbraw/zinc/04/35/72/1025043572.db2.gz PUHRQAQVWSWJIJ-KRWDZBQOSA-N 1 1 339.483 3.675 20 30 EHEDMO COC(=O)c1ccoc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000346782946 1025094980 /nfs/dbraw/zinc/09/49/80/1025094980.db2.gz ULAMLLZJDPCXIL-UHFFFAOYSA-N 1 1 326.396 3.596 20 30 EHEDMO COC(=O)c1ccoc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000346782946 1025094989 /nfs/dbraw/zinc/09/49/89/1025094989.db2.gz ULAMLLZJDPCXIL-UHFFFAOYSA-N 1 1 326.396 3.596 20 30 EHEDMO C#CCOc1ccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1 ZINC000113313293 1025145120 /nfs/dbraw/zinc/14/51/20/1025145120.db2.gz PMIRRCVGFANMCR-JOCHJYFZSA-N 1 1 328.415 3.973 20 30 EHEDMO C[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001167544462 1025149300 /nfs/dbraw/zinc/14/93/00/1025149300.db2.gz NORRRORDJYDAIL-IIBYNOLFSA-N 1 1 345.446 3.500 20 30 EHEDMO C[C@@H]1CN(C(=O)C2(C#N)CCCCC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000346876737 1025273654 /nfs/dbraw/zinc/27/36/54/1025273654.db2.gz LWXJJFAAUSRQSE-MSOLQXFVSA-N 1 1 339.483 3.582 20 30 EHEDMO C[C@@H]1CN(C(=O)C2(C#N)CCCCC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000346876737 1025273669 /nfs/dbraw/zinc/27/36/69/1025273669.db2.gz LWXJJFAAUSRQSE-MSOLQXFVSA-N 1 1 339.483 3.582 20 30 EHEDMO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)C2(C#N)CCCCC2)c1 ZINC000515510232 1025303917 /nfs/dbraw/zinc/30/39/17/1025303917.db2.gz INJPNKXVPNUEQE-IBGZPJMESA-N 1 1 339.483 3.817 20 30 EHEDMO C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](Cc3csc(C#N)c3)CC2)n1 ZINC000895158524 1025307152 /nfs/dbraw/zinc/30/71/52/1025307152.db2.gz XPRJCODHXBOAOK-WBMJQRKESA-N 1 1 342.468 3.581 20 30 EHEDMO C=CCNC(=O)C[N@@H+](C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000607749040 1033280327 /nfs/dbraw/zinc/28/03/27/1033280327.db2.gz NRXFRSJHUZEDEO-MRXNPFEDSA-N 1 1 338.451 3.657 20 30 EHEDMO C=CCNC(=O)C[N@H+](C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000607749040 1033280341 /nfs/dbraw/zinc/28/03/41/1033280341.db2.gz NRXFRSJHUZEDEO-MRXNPFEDSA-N 1 1 338.451 3.657 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc2[nH]c(=O)oc21 ZINC000892201070 1025409037 /nfs/dbraw/zinc/40/90/37/1025409037.db2.gz KGNXRHKNUSYPNG-WMZOPIPTSA-N 1 1 333.391 3.805 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc2[nH]c(=O)oc21 ZINC000892201070 1025409043 /nfs/dbraw/zinc/40/90/43/1025409043.db2.gz KGNXRHKNUSYPNG-WMZOPIPTSA-N 1 1 333.391 3.805 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@@H+]2CCS[C@H](C(F)(F)F)C2)cc1 ZINC000896460813 1025468831 /nfs/dbraw/zinc/46/88/31/1025468831.db2.gz RBJQJDBWBVOORQ-HNNXBMFYSA-N 1 1 343.418 3.516 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCS[C@H](C(F)(F)F)C2)cc1 ZINC000896460813 1025468837 /nfs/dbraw/zinc/46/88/37/1025468837.db2.gz RBJQJDBWBVOORQ-HNNXBMFYSA-N 1 1 343.418 3.516 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)cc1 ZINC000896530646 1025515521 /nfs/dbraw/zinc/51/55/21/1025515521.db2.gz GIFCVFDGXJLFAV-WBVHZDCISA-N 1 1 341.480 3.889 20 30 EHEDMO COc1cc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)ccc1C#N ZINC000442853899 1025550307 /nfs/dbraw/zinc/55/03/07/1025550307.db2.gz NEJOMOGIJKOXDC-OAQYLSRUSA-N 1 1 334.419 3.588 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000451104841 1025569320 /nfs/dbraw/zinc/56/93/20/1025569320.db2.gz HABRRCVRTJZNSO-QFSBIZTOSA-N 1 1 339.842 3.573 20 30 EHEDMO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000329032086 1025574610 /nfs/dbraw/zinc/57/46/10/1025574610.db2.gz LRTIBSXZKYJYHR-DZGCQCFKSA-N 1 1 340.427 3.721 20 30 EHEDMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000329032086 1025574617 /nfs/dbraw/zinc/57/46/17/1025574617.db2.gz LRTIBSXZKYJYHR-DZGCQCFKSA-N 1 1 340.427 3.721 20 30 EHEDMO CC(C)n1cc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)nn1 ZINC000342175483 1025577658 /nfs/dbraw/zinc/57/76/58/1025577658.db2.gz WAFFYUWOPPZBGM-UHFFFAOYSA-N 1 1 331.423 3.687 20 30 EHEDMO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3c(C)cccc3C(C)C)C2)n1 ZINC000329067106 1025584600 /nfs/dbraw/zinc/58/46/00/1025584600.db2.gz WWFTYJYDWFVGFV-HNNXBMFYSA-N 1 1 342.443 3.887 20 30 EHEDMO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3c(C)cccc3C(C)C)C2)n1 ZINC000329067106 1025584605 /nfs/dbraw/zinc/58/46/05/1025584605.db2.gz WWFTYJYDWFVGFV-HNNXBMFYSA-N 1 1 342.443 3.887 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)Nc1ccccc1F ZINC000425531413 1025654149 /nfs/dbraw/zinc/65/41/49/1025654149.db2.gz HJJFOMZWUYAHHP-CQSZACIVSA-N 1 1 325.387 3.719 20 30 EHEDMO CC(C)N(C(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1)C1CCCC1 ZINC000425532284 1025658921 /nfs/dbraw/zinc/65/89/21/1025658921.db2.gz JARJPGPDMHXJMZ-MRXNPFEDSA-N 1 1 327.472 3.731 20 30 EHEDMO CC(C)N(C(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1)C1CCCC1 ZINC000425532284 1025658931 /nfs/dbraw/zinc/65/89/31/1025658931.db2.gz JARJPGPDMHXJMZ-MRXNPFEDSA-N 1 1 327.472 3.731 20 30 EHEDMO CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000329202495 1025662809 /nfs/dbraw/zinc/66/28/09/1025662809.db2.gz WAQXHLPAFCFJJS-BXWFABGCSA-N 1 1 348.491 3.515 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000425538073 1025674722 /nfs/dbraw/zinc/67/47/22/1025674722.db2.gz RGCAAOCCGJWAFJ-KRWDZBQOSA-N 1 1 347.462 3.742 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000425538073 1025674729 /nfs/dbraw/zinc/67/47/29/1025674729.db2.gz RGCAAOCCGJWAFJ-KRWDZBQOSA-N 1 1 347.462 3.742 20 30 EHEDMO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000329227932 1025678657 /nfs/dbraw/zinc/67/86/57/1025678657.db2.gz BKTGEXLSWIDGIZ-GJZGRUSLSA-N 1 1 342.418 3.862 20 30 EHEDMO Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425543010 1025694614 /nfs/dbraw/zinc/69/46/14/1025694614.db2.gz RJAXSCVBKMAHFM-PXNSSMCTSA-N 1 1 338.451 3.608 20 30 EHEDMO CC[C@@H]1CCCCN1C(=O)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000521821642 1025711103 /nfs/dbraw/zinc/71/11/03/1025711103.db2.gz NIXONIBFIHEQJS-HXUWFJFHSA-N 1 1 341.499 3.807 20 30 EHEDMO CC[C@H](c1ccccc1)[N@@H+](CC)CC(=O)NCc1cccc(C#N)c1 ZINC000521823471 1025713521 /nfs/dbraw/zinc/71/35/21/1025713521.db2.gz XOPMVNISVPJJIU-HXUWFJFHSA-N 1 1 335.451 3.648 20 30 EHEDMO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)nc1 ZINC000896659801 1025796435 /nfs/dbraw/zinc/79/64/35/1025796435.db2.gz GSRHBQQPDSOJBF-LJQANCHMSA-N 1 1 343.434 3.578 20 30 EHEDMO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3cnc4ccccc4c3)C2)nc1 ZINC000896655000 1025814335 /nfs/dbraw/zinc/81/43/35/1025814335.db2.gz SCXPEMOXTVUAGZ-IBGZPJMESA-N 1 1 343.434 3.578 20 30 EHEDMO C[C@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)c1ccc(C#N)cc1F ZINC000611587529 1025862617 /nfs/dbraw/zinc/86/26/17/1025862617.db2.gz FDAFHFPJEUCRRL-MGPUTAFESA-N 1 1 334.398 3.986 20 30 EHEDMO C[C@@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1ccc(C#N)cc1F ZINC000516014802 1025885799 /nfs/dbraw/zinc/88/57/99/1025885799.db2.gz OZBQYJHIPBNHMJ-TYFHEEPYSA-N 1 1 346.427 3.683 20 30 EHEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000444230717 1025949574 /nfs/dbraw/zinc/94/95/74/1025949574.db2.gz ACJGNOVWRZRLLQ-FQEVSTJZSA-N 1 1 335.451 3.840 20 30 EHEDMO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000020814429 1025984087 /nfs/dbraw/zinc/98/40/87/1025984087.db2.gz DZVNABBRRZOJJD-HNNXBMFYSA-N 1 1 339.464 3.934 20 30 EHEDMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000020814429 1025984100 /nfs/dbraw/zinc/98/41/00/1025984100.db2.gz DZVNABBRRZOJJD-HNNXBMFYSA-N 1 1 339.464 3.934 20 30 EHEDMO N#Cc1csc(C[NH+]2CCC(c3ccnc4ccccc43)CC2)n1 ZINC000516191450 1026099303 /nfs/dbraw/zinc/09/93/03/1026099303.db2.gz FULXDLGLGSAKBK-UHFFFAOYSA-N 1 1 334.448 3.943 20 30 EHEDMO CC[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000451951226 1026410565 /nfs/dbraw/zinc/41/05/65/1026410565.db2.gz BVJBPGVJRDGVSJ-LSDHHAIUSA-N 1 1 331.485 3.751 20 30 EHEDMO C[C@H](CC(C)(C)C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000475299041 1026451635 /nfs/dbraw/zinc/45/16/35/1026451635.db2.gz UCBOGMZSNDXFHQ-QGZVFWFLSA-N 1 1 341.499 3.665 20 30 EHEDMO C[C@H](CC(C)(C)C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000475299041 1026451640 /nfs/dbraw/zinc/45/16/40/1026451640.db2.gz UCBOGMZSNDXFHQ-QGZVFWFLSA-N 1 1 341.499 3.665 20 30 EHEDMO C=C(C)[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000187763453 1026491734 /nfs/dbraw/zinc/49/17/34/1026491734.db2.gz LUMMXAGROMDAFK-FQEVSTJZSA-N 1 1 344.405 3.830 20 30 EHEDMO CCN(C(=O)c1ccc(C#N)cc1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186331105 1026506466 /nfs/dbraw/zinc/50/64/66/1026506466.db2.gz VXMJFKLOKPMLEG-FQEVSTJZSA-N 1 1 347.462 3.603 20 30 EHEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C(C)(C)C#N)cc1 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344.499 3.518 20 30 EHEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000525125405 1029697472 /nfs/dbraw/zinc/69/74/72/1029697472.db2.gz FROWNVRPQHUUAZ-IBGZPJMESA-N 1 1 341.499 3.624 20 30 EHEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000347384748 1029718409 /nfs/dbraw/zinc/71/84/09/1029718409.db2.gz XQUBVWDXWOQCNZ-LSDHHAIUSA-N 1 1 333.863 3.707 20 30 EHEDMO C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1CCCSCC#N ZINC000347389863 1029721875 /nfs/dbraw/zinc/72/18/75/1029721875.db2.gz NTENUHUQCIFFSG-GFCCVEGCSA-N 1 1 339.302 3.843 20 30 EHEDMO CC[C@@H](O)C[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000441071250 1029747245 /nfs/dbraw/zinc/74/72/45/1029747245.db2.gz WSLLLLPAXNHLCH-HXUWFJFHSA-N 1 1 338.451 3.600 20 30 EHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000126604660 1029753220 /nfs/dbraw/zinc/75/32/20/1029753220.db2.gz WOOSOJSTCMBJGY-UONOGXRCSA-N 1 1 349.500 3.745 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C(C)C)C2)c1 ZINC000446731273 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/nfs/dbraw/zinc/66/93/44/1040669344.db2.gz UHMJDHUDAGMJCI-LJQANCHMSA-N 1 1 343.515 3.595 20 30 EHEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@H](c4ccccc4)C3)C2=O)cc1 ZINC000433085315 1040689569 /nfs/dbraw/zinc/68/95/69/1040689569.db2.gz VTMUUVZQDNKUHY-PZJWPPBQSA-N 1 1 345.446 3.543 20 30 EHEDMO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](SC)C2)cc1OC ZINC000600160295 1040738297 /nfs/dbraw/zinc/73/82/97/1040738297.db2.gz AUKSTIFMBJNULP-CYBMUJFWSA-N 1 1 327.877 3.851 20 30 EHEDMO COc1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)cc1OC1CC1 ZINC000600213606 1040831741 /nfs/dbraw/zinc/83/17/41/1040831741.db2.gz XBQHIEZCOIEJJJ-UHFFFAOYSA-N 1 1 348.446 3.861 20 30 EHEDMO COc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)cc1OC1CC1 ZINC000600213606 1040831761 /nfs/dbraw/zinc/83/17/61/1040831761.db2.gz XBQHIEZCOIEJJJ-UHFFFAOYSA-N 1 1 348.446 3.861 20 30 EHEDMO CSCC[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000093509599 1041062842 /nfs/dbraw/zinc/06/28/42/1041062842.db2.gz IXCYZHKJKPQTEJ-UHFFFAOYSA-N 1 1 326.465 3.932 20 30 EHEDMO C=CC[C@@H](C(=O)NCC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000487737329 1041082425 /nfs/dbraw/zinc/08/24/25/1041082425.db2.gz KMDFJBYVMNAMKK-OAQYLSRUSA-N 1 1 334.463 3.521 20 30 EHEDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000123947293 1041254905 /nfs/dbraw/zinc/25/49/05/1041254905.db2.gz AFTDIENSDJFGPD-UHFFFAOYSA-N 1 1 333.863 3.548 20 30 EHEDMO C=CC1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000111482412 1041658174 /nfs/dbraw/zinc/65/81/74/1041658174.db2.gz ZTGXMIWDOJVNEM-QGZVFWFLSA-N 1 1 347.528 3.568 20 30 EHEDMO C=C(Br)CNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000125056377 1041844141 /nfs/dbraw/zinc/84/41/41/1041844141.db2.gz GEOSRRBNAPBZAL-UHFFFAOYSA-N 1 1 343.696 3.803 20 30 EHEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)cc3OC)no2)C1 ZINC000661378738 1042092311 /nfs/dbraw/zinc/09/23/11/1042092311.db2.gz LLOVQCASURYKHG-CQSZACIVSA-N 1 1 343.427 3.542 20 30 EHEDMO CC(C)(C)OC(=O)NCc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000893526792 1042357290 /nfs/dbraw/zinc/35/72/90/1042357290.db2.gz LCRARPNZWYKPPR-HXUWFJFHSA-N 1 1 343.471 3.837 20 30 EHEDMO CC(C)(C)OC(=O)NCc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000893526792 1042357294 /nfs/dbraw/zinc/35/72/94/1042357294.db2.gz LCRARPNZWYKPPR-HXUWFJFHSA-N 1 1 343.471 3.837 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(=O)Nc1ccccc1C(C)=O ZINC000662088216 1042508055 /nfs/dbraw/zinc/50/80/55/1042508055.db2.gz AGJFRTMLPMPAKF-CALCHBBNSA-N 1 1 326.440 3.791 20 30 EHEDMO C[C@@H](c1cccs1)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248722081 1042530740 /nfs/dbraw/zinc/53/07/40/1042530740.db2.gz GTRXBPSYSTXHJY-YOEHRIQHSA-N 1 1 339.464 3.808 20 30 EHEDMO C[C@@H]([NH2+]CCOc1ccccc1C#N)c1nc(C(F)(F)F)cs1 ZINC000278920899 1042953957 /nfs/dbraw/zinc/95/39/57/1042953957.db2.gz LOPNZAMUZZRMPE-SNVBAGLBSA-N 1 1 341.358 3.763 20 30 EHEDMO CCn1c2cc(F)ccc2[nH+]c1NCc1ccc(F)c(C#N)c1Cl ZINC000432408735 1043101798 /nfs/dbraw/zinc/10/17/98/1043101798.db2.gz CRDVSGMDJPGBQW-UHFFFAOYSA-N 1 1 346.768 3.893 20 30 EHEDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2C#N)Cc2ccccc2O1 ZINC000344103614 1043260781 /nfs/dbraw/zinc/26/07/81/1043260781.db2.gz FTOUIPDOUGHQPI-UHFFFAOYSA-N 1 1 349.434 3.560 20 30 EHEDMO C=C[C@@](C)(O)CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000279160149 1043476485 /nfs/dbraw/zinc/47/64/85/1043476485.db2.gz GDPGDSXPLPAKAR-HXUWFJFHSA-N 1 1 330.472 3.717 20 30 EHEDMO C[N@@H+](CCCCCO)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000279664991 1044381766 /nfs/dbraw/zinc/38/17/66/1044381766.db2.gz DJOJTMFQKZZGSG-UHFFFAOYSA-N 1 1 336.479 3.981 20 30 EHEDMO C=CCSc1ccccc1C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000344765937 1044403722 /nfs/dbraw/zinc/40/37/22/1044403722.db2.gz DNZUFXPDYMPOQM-INIZCTEOSA-N 1 1 344.524 3.911 20 30 EHEDMO C(#Cc1ccccc1)CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512284809 1044548469 /nfs/dbraw/zinc/54/84/69/1044548469.db2.gz DNMDJPFQNGEFGU-QHCPKHFHSA-N 1 1 330.475 3.636 20 30 EHEDMO C=C[C@H](CC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000153867455 1125669908 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3.803 20 30 EHEDMO CC(C)(C#N)C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000381355937 1127483328 /nfs/dbraw/zinc/48/33/28/1127483328.db2.gz CHKOYSKHRDDILW-UHFFFAOYSA-N 1 1 346.066 3.851 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N=Cc1cc2ccccc2[nH]c1=O ZINC000764888601 1127545701 /nfs/dbraw/zinc/54/57/01/1127545701.db2.gz NDRQFVUDQSKKBX-BOVFSGPISA-N 1 1 345.446 3.880 20 30 EHEDMO C=CCCC[C@H](NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)c1ccccc1 ZINC000921646434 1128417733 /nfs/dbraw/zinc/41/77/33/1128417733.db2.gz SSMDFEJKGOFLSB-QUCCMNQESA-N 1 1 337.467 3.968 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](C)NC(=O)OC(C)(C)C ZINC000785442655 1128459423 /nfs/dbraw/zinc/45/94/23/1128459423.db2.gz SNIPVJCBOILNSM-HNNXBMFYSA-N 1 1 331.460 3.683 20 30 EHEDMO COc1ccccc1C[NH+]1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000301258422 1128580601 /nfs/dbraw/zinc/58/06/01/1128580601.db2.gz OCLSLINQUQLSDW-UHFFFAOYSA-N 1 1 341.842 3.542 20 30 EHEDMO C[C@@H](CCNc1ccc(Cl)c(C#N)n1)[N@@H+](C)Cc1ccccc1 ZINC000301475577 1128592714 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1 1 345.406 3.586 20 30 EHEDMO C[C@@H](NC(=O)C[N@H+](C)Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000073615258 1128772716 /nfs/dbraw/zinc/77/27/16/1128772716.db2.gz STOMWIQCJUTESP-CQSZACIVSA-N 1 1 341.842 3.521 20 30 EHEDMO C[C@@H](NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000073615258 1128772720 /nfs/dbraw/zinc/77/27/20/1128772720.db2.gz STOMWIQCJUTESP-CQSZACIVSA-N 1 1 341.842 3.521 20 30 EHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H](O)CCc3ccccc3)CC2)cc1 ZINC000542512276 1120860632 /nfs/dbraw/zinc/86/06/32/1120860632.db2.gz WHMKREYYTZVJKD-QFIPXVFZSA-N 1 1 332.447 3.641 20 30 EHEDMO C[C@H]1CC(N=Nc2ncnc3sc(-c4ccccc4)cc32)C[N@H+]1C ZINC000761800966 1120941041 /nfs/dbraw/zinc/94/10/41/1120941041.db2.gz IJJMSNVANGGZMM-LBPRGKRZSA-N 1 1 337.452 3.850 20 30 EHEDMO N#Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc2ccccc12 ZINC000310670477 1128956574 /nfs/dbraw/zinc/95/65/74/1128956574.db2.gz HYPVRZRQWNNBMT-GOSISDBHSA-N 1 1 328.419 3.793 20 30 EHEDMO C[C@@H](Nc1cc[nH+]c(N(C)C)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542967325 1128960773 /nfs/dbraw/zinc/96/07/73/1128960773.db2.gz UUOAZFRHMJKQPL-OAHLLOKOSA-N 1 1 343.434 3.676 20 30 EHEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000915216567 1121252413 /nfs/dbraw/zinc/25/24/13/1121252413.db2.gz QEZVSNVTVMGFQG-HFTRVMKXSA-N 1 1 348.450 3.734 20 30 EHEDMO C=CCn1c(-c2ccco2)nn(C[N@@H+](CC2CC2)C(C)C)c1=S ZINC000915208499 1121253379 /nfs/dbraw/zinc/25/33/79/1121253379.db2.gz NYSLMGZPNHETNF-UHFFFAOYSA-N 1 1 332.473 3.938 20 30 EHEDMO C=CCn1c(-c2ccco2)nn(C[N@H+](CC2CC2)C(C)C)c1=S ZINC000915208499 1121253386 /nfs/dbraw/zinc/25/33/86/1121253386.db2.gz NYSLMGZPNHETNF-UHFFFAOYSA-N 1 1 332.473 3.938 20 30 EHEDMO CCCC[C@H](CC)C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2CC1 ZINC001272610519 1121267749 /nfs/dbraw/zinc/26/77/49/1121267749.db2.gz HVQHOHGXGOBYLJ-CADBVGFASA-N 1 1 333.520 3.533 20 30 EHEDMO C=CCc1cc(C[N@H+](C)Cc2cccc(OC)c2)c(O)c(OC)c1 ZINC000915803567 1121632763 /nfs/dbraw/zinc/63/27/63/1121632763.db2.gz HTUGXLIKUNUAAF-UHFFFAOYSA-N 1 1 327.424 3.770 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CC(C)(C)CCC#N)C[C@H]2C1 ZINC000496479418 1122095979 /nfs/dbraw/zinc/09/59/79/1122095979.db2.gz JWSWNHIFRBNGEI-CVEARBPZSA-N 1 1 335.492 3.505 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000496563265 1122120267 /nfs/dbraw/zinc/12/02/67/1122120267.db2.gz GXZNZBIQFGLTCP-HNAYVOBHSA-N 1 1 335.407 3.576 20 30 EHEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H](O)c1ccccc1Br ZINC000154096832 1122219597 /nfs/dbraw/zinc/21/95/97/1122219597.db2.gz DJEKAVKHWKHQCV-HNNXBMFYSA-N 1 1 339.277 3.744 20 30 EHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)c1ccccc1Br ZINC000154096832 1122219599 /nfs/dbraw/zinc/21/95/99/1122219599.db2.gz DJEKAVKHWKHQCV-HNNXBMFYSA-N 1 1 339.277 3.744 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3c(Cl)c(Cl)ccc3C2)cc1 ZINC000763405488 1122229502 /nfs/dbraw/zinc/22/95/02/1122229502.db2.gz CBVHCYPPKDMXMD-QGZVFWFLSA-N 1 1 347.245 3.957 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCc3c(Cl)c(Cl)ccc3C2)cc1 ZINC000763405488 1122229508 /nfs/dbraw/zinc/22/95/08/1122229508.db2.gz CBVHCYPPKDMXMD-QGZVFWFLSA-N 1 1 347.245 3.957 20 30 EHEDMO CC(C)C[N@H+](Cc1ccccc1F)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763409969 1122230437 /nfs/dbraw/zinc/23/04/37/1122230437.db2.gz VWDVHPNYWCOSKY-HXUWFJFHSA-N 1 1 326.415 3.889 20 30 EHEDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000763412681 1122232792 /nfs/dbraw/zinc/23/27/92/1122232792.db2.gz HGMKXNGQZXCABM-RTWAWAEBSA-N 1 1 340.442 3.930 20 30 EHEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(N2CCOC2=O)c1 ZINC000497012942 1122245266 /nfs/dbraw/zinc/24/52/66/1122245266.db2.gz WLMXBEKHZYCHDW-ZDUSSCGKSA-N 1 1 339.370 3.505 20 30 EHEDMO Cc1cc(C[NH2+][C@@H](c2nc(-c3ccncc3)no2)C(C)C)ccc1C#N ZINC000488168081 1122254696 /nfs/dbraw/zinc/25/46/96/1122254696.db2.gz XFGYQTPAXPBSLJ-GOSISDBHSA-N 1 1 347.422 3.799 20 30 EHEDMO C=C[C@H](CC(=O)N[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000497414475 1122545560 /nfs/dbraw/zinc/54/55/60/1122545560.db2.gz DMUMIWWPVOUVEB-JRGCBEDISA-N 1 1 334.463 3.560 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000609280547 1122840962 /nfs/dbraw/zinc/84/09/62/1122840962.db2.gz ABXWFTNJPIDOCO-HKUYNNGSSA-N 1 1 347.462 3.840 20 30 EHEDMO C=CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)CC1CCCCC1 ZINC000069860247 1122845036 /nfs/dbraw/zinc/84/50/36/1122845036.db2.gz CHYHIRPYCYATRP-UHFFFAOYSA-N 1 1 343.471 3.652 20 30 EHEDMO C[N@@H+](CCOc1ccccc1Br)Cc1ccc(C#N)cc1 ZINC000508888256 1123017805 /nfs/dbraw/zinc/01/78/05/1123017805.db2.gz HRSHQCJADDXPJK-UHFFFAOYSA-N 1 1 345.240 3.832 20 30 EHEDMO N#Cc1ccc(C[N@@H+](Cc2cncc(Br)c2)C2CC2)cc1 ZINC000194960048 1123093590 /nfs/dbraw/zinc/09/35/90/1123093590.db2.gz QOOGZWFJEHCOIZ-UHFFFAOYSA-N 1 1 342.240 3.880 20 30 EHEDMO N#Cc1ccc(C[N@H+](Cc2cncc(Br)c2)C2CC2)cc1 ZINC000194960048 1123093595 /nfs/dbraw/zinc/09/35/95/1123093595.db2.gz QOOGZWFJEHCOIZ-UHFFFAOYSA-N 1 1 342.240 3.880 20 30 EHEDMO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(C#N)cn1 ZINC000780555684 1123104920 /nfs/dbraw/zinc/10/49/20/1123104920.db2.gz QRIMKVNCDLTKTL-UHFFFAOYSA-N 1 1 345.450 3.726 20 30 EHEDMO CC(=O)N1CC[N@H+](CC#Cc2ccc(Cl)cc2)CC12CCCCC2 ZINC000498927658 1123117568 /nfs/dbraw/zinc/11/75/68/1123117568.db2.gz GZQSQCSHVFGTIX-UHFFFAOYSA-N 1 1 344.886 3.559 20 30 EHEDMO CC(=O)N1CC[N@@H+](CC#Cc2ccc(Cl)cc2)CC12CCCCC2 ZINC000498927658 1123117569 /nfs/dbraw/zinc/11/75/69/1123117569.db2.gz GZQSQCSHVFGTIX-UHFFFAOYSA-N 1 1 344.886 3.559 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)OCCCC(C)(C)C#N ZINC000923846764 1123138323 /nfs/dbraw/zinc/13/83/23/1123138323.db2.gz KOFLDJRCAGOQPZ-FUHWJXTLSA-N 1 1 328.456 3.628 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)C1CCCCC1 ZINC000072948561 1123179563 /nfs/dbraw/zinc/17/95/63/1123179563.db2.gz DALLMRZDVDFJDX-UHFFFAOYSA-N 1 1 331.485 3.895 20 30 EHEDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000556975446 1123249749 /nfs/dbraw/zinc/24/97/49/1123249749.db2.gz ROSXBAAESJJCBQ-OAHLLOKOSA-N 1 1 341.405 3.715 20 30 EHEDMO C=CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)C ZINC000920411807 1123365323 /nfs/dbraw/zinc/36/53/23/1123365323.db2.gz HVYFFSRASSTMEU-UHFFFAOYSA-N 1 1 331.485 3.724 20 30 EHEDMO CC[N@@H+](CCNC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)C ZINC000077468604 1123557986 /nfs/dbraw/zinc/55/79/86/1123557986.db2.gz CFBQSRZGLNYYQA-HNNXBMFYSA-N 1 1 348.516 3.933 20 30 EHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)CCOc1ccccc1Cl ZINC000282143151 1123569371 /nfs/dbraw/zinc/56/93/71/1123569371.db2.gz ZRUFBNZDMJNJBP-UHFFFAOYSA-N 1 1 336.863 3.751 20 30 EHEDMO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000609549857 1123612549 /nfs/dbraw/zinc/61/25/49/1123612549.db2.gz ZOCIKCSTZMVPSY-LJQANCHMSA-N 1 1 335.407 3.773 20 30 EHEDMO C[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000609549857 1123612554 /nfs/dbraw/zinc/61/25/54/1123612554.db2.gz ZOCIKCSTZMVPSY-LJQANCHMSA-N 1 1 335.407 3.773 20 30 EHEDMO Cc1cccc([C@H]2CCCCC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000609801249 1123664324 /nfs/dbraw/zinc/66/43/24/1123664324.db2.gz FYSXYFQWKFQRKC-CTNGQTDRSA-N 1 1 339.483 3.721 20 30 EHEDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000610004502 1123712156 /nfs/dbraw/zinc/71/21/56/1123712156.db2.gz NJIXARIPALCTHT-AWEZNQCLSA-N 1 1 337.398 3.645 20 30 EHEDMO CC(C)C[C@@H]1CCCCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610144733 1123735565 /nfs/dbraw/zinc/73/55/65/1123735565.db2.gz ZVWOVAXIESAXSV-VQTJNVASSA-N 1 1 344.499 3.783 20 30 EHEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000610133132 1123739360 /nfs/dbraw/zinc/73/93/60/1123739360.db2.gz BYPWQZVIHPHQME-LJQANCHMSA-N 1 1 336.435 3.955 20 30 EHEDMO C[C@H](CNCc1cccc(OCCCC#N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000237570158 1123771931 /nfs/dbraw/zinc/77/19/31/1123771931.db2.gz YCPYSPHFUVXICS-QZTJIDSGSA-N 1 1 329.488 3.579 20 30 EHEDMO C[C@H](CNCc1cccc(OCCCC#N)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000237570158 1123771934 /nfs/dbraw/zinc/77/19/34/1123771934.db2.gz YCPYSPHFUVXICS-QZTJIDSGSA-N 1 1 329.488 3.579 20 30 EHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1COc2ccccc2O1 ZINC000615456360 1123803684 /nfs/dbraw/zinc/80/36/84/1123803684.db2.gz FDNYNFMTVFDWEL-SFHVURJKSA-N 1 1 325.408 3.523 20 30 EHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1ccc(C#N)c(F)c1 ZINC000616757933 1124033340 /nfs/dbraw/zinc/03/33/40/1124033340.db2.gz LAHKYWHUUFVVER-KRWDZBQOSA-N 1 1 337.442 3.794 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)cc2OC)no1 ZINC001212324901 1124664951 /nfs/dbraw/zinc/66/49/51/1124664951.db2.gz BWCGSLJUUQDACH-LBPRGKRZSA-N 1 1 339.317 3.567 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(NCc3ccccc3Cl)CC2)cc1 ZINC000181387568 1124801442 /nfs/dbraw/zinc/80/14/42/1124801442.db2.gz ZEIUVBBPLFDBGS-UHFFFAOYSA-N 1 1 339.870 3.966 20 30 EHEDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1cc(Cl)ccc1OCC#N ZINC000735306461 1131327798 /nfs/dbraw/zinc/32/77/98/1131327798.db2.gz NVAMTTZKZAHPMF-UHFFFAOYSA-N 1 1 348.805 3.892 20 30 EHEDMO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000618353215 1125051009 /nfs/dbraw/zinc/05/10/09/1125051009.db2.gz BIFIHIJWJHLACH-HXUWFJFHSA-N 1 1 326.484 3.530 20 30 EHEDMO COc1cccc(C[C@@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)c1 ZINC000619620084 1125374791 /nfs/dbraw/zinc/37/47/91/1125374791.db2.gz GQAWNJQONGULEO-IBGZPJMESA-N 1 1 342.483 3.803 20 30 EHEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCOCC(F)(F)C(F)F ZINC000682533011 1129219869 /nfs/dbraw/zinc/21/98/69/1129219869.db2.gz NSKNYOIVALFTFA-IUCAKERBSA-N 1 1 325.268 3.566 20 30 EHEDMO COc1ccccc1OCC[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000359850338 1129267049 /nfs/dbraw/zinc/26/70/49/1129267049.db2.gz VJVFLEMNAHKYQW-UHFFFAOYSA-N 1 1 330.815 3.731 20 30 EHEDMO COc1ccccc1OCC[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000359850338 1129267051 /nfs/dbraw/zinc/26/70/51/1129267051.db2.gz VJVFLEMNAHKYQW-UHFFFAOYSA-N 1 1 330.815 3.731 20 30 EHEDMO CCSc1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115599503 1129277683 /nfs/dbraw/zinc/27/76/83/1129277683.db2.gz AMVSLWSXDIYEKY-UGSOOPFHSA-N 1 1 339.464 3.547 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000735670897 1131372121 /nfs/dbraw/zinc/37/21/21/1131372121.db2.gz ZECZGPCASTWMGC-MAUKXSAKSA-N 1 1 343.471 3.951 20 30 EHEDMO C=CC[C@H](CC)NC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000466399423 1129423806 /nfs/dbraw/zinc/42/38/06/1129423806.db2.gz NUQZVBCXWBMGLA-PMACEKPBSA-N 1 1 343.515 3.895 20 30 EHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)CCc1ccccc1 ZINC000543450077 1129496234 /nfs/dbraw/zinc/49/62/34/1129496234.db2.gz YXYMZBKZDBHMSO-FQEVSTJZSA-N 1 1 340.423 3.577 20 30 EHEDMO Cc1cc(N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)nc(C(C)C)n1 ZINC000118391620 1129507249 /nfs/dbraw/zinc/50/72/49/1129507249.db2.gz ZWXSZADIMVLLDX-KRWDZBQOSA-N 1 1 349.482 3.663 20 30 EHEDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000118393694 1129507788 /nfs/dbraw/zinc/50/77/88/1129507788.db2.gz FPBLPAJLTMAXFX-QFBILLFUSA-N 1 1 348.450 3.673 20 30 EHEDMO N#Cc1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1F ZINC000388492166 1129530289 /nfs/dbraw/zinc/53/02/89/1129530289.db2.gz ZYCBPGLMWVWFDI-FPOVZHCZSA-N 1 1 349.453 3.651 20 30 EHEDMO N#CCCCOc1cccc(C[NH2+]Cc2nc3c(s2)CCC3)c1 ZINC000922471523 1129544596 /nfs/dbraw/zinc/54/45/96/1129544596.db2.gz VKJAIINIZCYFIY-UHFFFAOYSA-N 1 1 327.453 3.604 20 30 EHEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093531643 1129592783 /nfs/dbraw/zinc/59/27/83/1129592783.db2.gz GPFXLDUAICDNIO-AUUYWEPGSA-N 1 1 334.398 3.928 20 30 EHEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093531643 1129592786 /nfs/dbraw/zinc/59/27/86/1129592786.db2.gz GPFXLDUAICDNIO-AUUYWEPGSA-N 1 1 334.398 3.928 20 30 EHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(F)c2C#N)C1 ZINC000428955972 1129640301 /nfs/dbraw/zinc/64/03/01/1129640301.db2.gz PDXDFRMZBUUVJC-VTCANLHHSA-N 1 1 330.447 3.849 20 30 EHEDMO C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000429006068 1129690222 /nfs/dbraw/zinc/69/02/22/1129690222.db2.gz HOWMYIUYWRXOME-QFIPXVFZSA-N 1 1 331.463 3.753 20 30 EHEDMO CN1CC[C@]2(CC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000429006068 1129690223 /nfs/dbraw/zinc/69/02/23/1129690223.db2.gz HOWMYIUYWRXOME-QFIPXVFZSA-N 1 1 331.463 3.753 20 30 EHEDMO CN1CC[C@]2(CC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000429006068 1129690224 /nfs/dbraw/zinc/69/02/24/1129690224.db2.gz HOWMYIUYWRXOME-QFIPXVFZSA-N 1 1 331.463 3.753 20 30 EHEDMO C[N@@H+]1CC[C@]2(CCN(Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000429006068 1129690225 /nfs/dbraw/zinc/69/02/25/1129690225.db2.gz HOWMYIUYWRXOME-QFIPXVFZSA-N 1 1 331.463 3.753 20 30 EHEDMO C[N@H+]1CC[C@]2(CCN(Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000429006068 1129690226 /nfs/dbraw/zinc/69/02/26/1129690226.db2.gz HOWMYIUYWRXOME-QFIPXVFZSA-N 1 1 331.463 3.753 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c(Br)c1 ZINC000429015227 1129700967 /nfs/dbraw/zinc/70/09/67/1129700967.db2.gz ZRHFWXPVEOZVFT-INIZCTEOSA-N 1 1 349.272 3.569 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c(Br)c1 ZINC000429015227 1129700969 /nfs/dbraw/zinc/70/09/69/1129700969.db2.gz ZRHFWXPVEOZVFT-INIZCTEOSA-N 1 1 349.272 3.569 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000157160896 1129752082 /nfs/dbraw/zinc/75/20/82/1129752082.db2.gz WOLRDTCZNDDBJT-UHFFFAOYSA-N 1 1 342.464 3.929 20 30 EHEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000157160896 1129752084 /nfs/dbraw/zinc/75/20/84/1129752084.db2.gz WOLRDTCZNDDBJT-UHFFFAOYSA-N 1 1 342.464 3.929 20 30 EHEDMO COC(=O)c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1F ZINC000134155505 1129983085 /nfs/dbraw/zinc/98/30/85/1129983085.db2.gz ZSMIRXWTCLWNBQ-UHFFFAOYSA-N 1 1 340.398 3.895 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc2nsnc21 ZINC000766081618 1130219837 /nfs/dbraw/zinc/21/98/37/1130219837.db2.gz MPTFMVZOPQIKJN-FUHWJXTLSA-N 1 1 334.448 3.963 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc2nsnc21 ZINC000766081618 1130219843 /nfs/dbraw/zinc/21/98/43/1130219843.db2.gz MPTFMVZOPQIKJN-FUHWJXTLSA-N 1 1 334.448 3.963 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc2nsnc21 ZINC000766081621 1130220300 /nfs/dbraw/zinc/22/03/00/1130220300.db2.gz MPTFMVZOPQIKJN-WMZOPIPTSA-N 1 1 334.448 3.963 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc2nsnc21 ZINC000766081621 1130220301 /nfs/dbraw/zinc/22/03/01/1130220301.db2.gz MPTFMVZOPQIKJN-WMZOPIPTSA-N 1 1 334.448 3.963 20 30 EHEDMO N#Cc1cccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000245689534 1130287420 /nfs/dbraw/zinc/28/74/20/1130287420.db2.gz KCSOOIAFFVKREO-KOUNCHBCSA-N 1 1 331.463 3.843 20 30 EHEDMO N#Cc1cccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245689534 1130287424 /nfs/dbraw/zinc/28/74/24/1130287424.db2.gz KCSOOIAFFVKREO-KOUNCHBCSA-N 1 1 331.463 3.843 20 30 EHEDMO C=C(Cl)C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc(OC)c1 ZINC000766123307 1130358240 /nfs/dbraw/zinc/35/82/40/1130358240.db2.gz WXWFJYBBLIEONO-LJQANCHMSA-N 1 1 331.843 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Cc1cc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)ccc1C#N ZINC000774885628 1134090104 /nfs/dbraw/zinc/09/01/04/1134090104.db2.gz CQOCHJLXNNQUMJ-QAPCUYQASA-N 1 1 343.471 3.602 20 30 EHEDMO C#CCC1(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCCCC1 ZINC000788192811 1134092421 /nfs/dbraw/zinc/09/24/21/1134092421.db2.gz JCBQMUXXBPSCAZ-ICSRJNTNSA-N 1 1 338.495 3.912 20 30 EHEDMO c1ccc(C[N@@H+]2C[C@@H]3CCCC(=NNCCc4ccccn4)[C@H]3C2)cc1 ZINC000789105900 1134226066 /nfs/dbraw/zinc/22/60/66/1134226066.db2.gz WUZLOLWAVKBURE-FPOVZHCZSA-N 1 1 348.494 3.502 20 30 EHEDMO c1ccc(C[N@@H+]2C[C@@H]3CCCC(N=NCCc4ccccn4)[C@@H]3C2)cc1 ZINC000789105902 1134226545 /nfs/dbraw/zinc/22/65/45/1134226545.db2.gz WUZLOLWAVKBURE-PZJWPPBQSA-N 1 1 348.494 3.502 20 30 EHEDMO C[C@@H]1CN(c2c(Br)cccc2C#N)CC[N@H+](C2CCC2)C1 ZINC001186529153 1134229525 /nfs/dbraw/zinc/22/95/25/1134229525.db2.gz YYJSQYILJHVDPR-ZDUSSCGKSA-N 1 1 348.288 3.631 20 30 EHEDMO Cc1cc(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)ncc1C#N ZINC001186639682 1134241245 /nfs/dbraw/zinc/24/12/45/1134241245.db2.gz MIDARHHWIQXZIR-LJQANCHMSA-N 1 1 334.467 3.976 20 30 EHEDMO Cn1cc[nH+]c1[N-][NH+]=Cc1sc(Nc2ccccc2)nc1Cl ZINC000790303193 1134399724 /nfs/dbraw/zinc/39/97/24/1134399724.db2.gz QRTBCFFAABYLGH-UHFFFAOYSA-N 1 1 332.820 3.720 20 30 EHEDMO COCC[N@@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)[C@H]1CC[C@@H](C)C1 ZINC000790475606 1134422349 /nfs/dbraw/zinc/42/23/49/1134422349.db2.gz BLNGZTJTOWXNFD-APWZRJJASA-N 1 1 338.455 3.516 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCC[N@H+](C)CC2)c1 ZINC001189275948 1134566277 /nfs/dbraw/zinc/56/62/77/1134566277.db2.gz IKIWNBZZPAOXDB-GOSISDBHSA-N 1 1 329.488 3.738 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)NC[C@H]2CCCC[N@@H+]2C)c1 ZINC001189274973 1134566538 /nfs/dbraw/zinc/56/65/38/1134566538.db2.gz PDFKEQDHKOSZBW-GOSISDBHSA-N 1 1 329.488 3.738 20 30 EHEDMO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000792219410 1134668053 /nfs/dbraw/zinc/66/80/53/1134668053.db2.gz ZBXDYZSNGKPGTB-MRXNPFEDSA-N 1 1 347.434 3.529 20 30 EHEDMO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000792219410 1134668058 /nfs/dbraw/zinc/66/80/58/1134668058.db2.gz ZBXDYZSNGKPGTB-MRXNPFEDSA-N 1 1 347.434 3.529 20 30 EHEDMO COCC[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CC[C@@H](C)C1 ZINC000792463472 1134688784 /nfs/dbraw/zinc/68/87/84/1134688784.db2.gz IWUZRGOYCMGKGW-RHSMWYFYSA-N 1 1 336.863 3.879 20 30 EHEDMO CC(C)C[C@@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001190769997 1134748955 /nfs/dbraw/zinc/74/89/55/1134748955.db2.gz MSFUWGZPRLZCPA-RBUKOAKNSA-N 1 1 325.456 3.564 20 30 EHEDMO CC(C)(C)[NH+]1CCN(C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170389043 1134763628 /nfs/dbraw/zinc/76/36/28/1134763628.db2.gz JMXAYINJXZNBPH-UHFFFAOYSA-N 1 1 325.500 3.807 20 30 EHEDMO COC(=O)CC[C@@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170389267 1134763723 /nfs/dbraw/zinc/76/37/23/1134763723.db2.gz OZXOQUKIPQPERX-FQVISZRSSA-N 1 1 340.467 3.666 20 30 EHEDMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170382938 1134767103 /nfs/dbraw/zinc/76/71/03/1134767103.db2.gz GVOIZNJQVGAGIT-UHFFFAOYSA-N 1 1 328.456 3.664 20 30 EHEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H](c3ccccc3)C[C@H]2C)cc1 ZINC001191004205 1134778342 /nfs/dbraw/zinc/77/83/42/1134778342.db2.gz NVQDDHHFLSQMJA-YLJYHZDGSA-N 1 1 332.447 3.875 20 30 EHEDMO N#Cc1c(F)cccc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000794410536 1135045100 /nfs/dbraw/zinc/04/51/00/1135045100.db2.gz ANONHZVJCTVTIL-QGZVFWFLSA-N 1 1 340.398 3.584 20 30 EHEDMO N#Cc1c(F)cccc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000794410536 1135045105 /nfs/dbraw/zinc/04/51/05/1135045105.db2.gz ANONHZVJCTVTIL-QGZVFWFLSA-N 1 1 340.398 3.584 20 30 EHEDMO C[C@@H]([NH2+]Cc1cncc(C#N)c1)c1nc2ccccc2n1C(F)F ZINC001193413825 1135137148 /nfs/dbraw/zinc/13/71/48/1135137148.db2.gz QISIZITVVPCXOY-LLVKDONJSA-N 1 1 327.338 3.549 20 30 EHEDMO C[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)CC12CCCCC2 ZINC001193637417 1135163174 /nfs/dbraw/zinc/16/31/74/1135163174.db2.gz WPLHUDIHGFUQHO-HKUYNNGSSA-N 1 1 342.483 3.590 20 30 EHEDMO C=CC[C@H]1[N@@H+](CC(=O)Nc2cc(OC)cc(OC)c2)CCCC1(C)C ZINC001193921169 1135203936 /nfs/dbraw/zinc/20/39/36/1135203936.db2.gz WBJCHELQJPMWJB-GOSISDBHSA-N 1 1 346.471 3.709 20 30 EHEDMO C[NH+]1CCN(c2ccc(NC(=O)CCCCCC#N)cc2Cl)CC1 ZINC000805172267 1135242269 /nfs/dbraw/zinc/24/22/69/1135242269.db2.gz LJWHGTJXWHBWFG-UHFFFAOYSA-N 1 1 348.878 3.504 20 30 EHEDMO C[N@@H+](CC#Cc1ccccc1Cl)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001194417410 1135267462 /nfs/dbraw/zinc/26/74/62/1135267462.db2.gz BVBKFRGUPLOBLC-UHFFFAOYSA-N 1 1 348.874 3.679 20 30 EHEDMO CCCCCCCCOC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001194753307 1135309932 /nfs/dbraw/zinc/30/99/32/1135309932.db2.gz FWRLICZHXPOUGJ-GOSISDBHSA-N 1 1 333.476 3.743 20 30 EHEDMO CCCCCCCCOC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001194753307 1135309937 /nfs/dbraw/zinc/30/99/37/1135309937.db2.gz FWRLICZHXPOUGJ-GOSISDBHSA-N 1 1 333.476 3.743 20 30 EHEDMO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000805762257 1135330291 /nfs/dbraw/zinc/33/02/91/1135330291.db2.gz PACQHYFJFARYPQ-INIZCTEOSA-N 1 1 349.862 3.654 20 30 EHEDMO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000805762257 1135330297 /nfs/dbraw/zinc/33/02/97/1135330297.db2.gz PACQHYFJFARYPQ-INIZCTEOSA-N 1 1 349.862 3.654 20 30 EHEDMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000805804537 1135334306 /nfs/dbraw/zinc/33/43/06/1135334306.db2.gz SPQYPFYJYMTEJR-YOEHRIQHSA-N 1 1 348.874 3.679 20 30 EHEDMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000805804537 1135334311 /nfs/dbraw/zinc/33/43/11/1135334311.db2.gz SPQYPFYJYMTEJR-YOEHRIQHSA-N 1 1 348.874 3.679 20 30 EHEDMO CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C#N)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170491332 1135341208 /nfs/dbraw/zinc/34/12/08/1135341208.db2.gz IXUODYVAHWBYBV-NXOAAHMSSA-N 1 1 335.492 3.789 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001195497758 1135433767 /nfs/dbraw/zinc/43/37/67/1135433767.db2.gz KZZXSFNPVIFBHY-RVKKMQEKSA-N 1 1 328.456 3.919 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000775658053 1135435513 /nfs/dbraw/zinc/43/55/13/1135435513.db2.gz TZELMQCNUHJWOM-OAQYLSRUSA-N 1 1 338.426 3.720 20 30 EHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1CCN(c2ccccc2)C1=O ZINC000808146171 1135624374 /nfs/dbraw/zinc/62/43/74/1135624374.db2.gz ULMLXCHWVUQONR-UHFFFAOYSA-N 1 1 348.450 3.668 20 30 EHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1CCN(c2ccccc2)C1=O ZINC000808146171 1135624375 /nfs/dbraw/zinc/62/43/75/1135624375.db2.gz ULMLXCHWVUQONR-UHFFFAOYSA-N 1 1 348.450 3.668 20 30 EHEDMO C[N@H+](CCc1cccc(C#N)c1)CC(=O)Nc1ccc2ccccc2c1 ZINC001197113989 1135651441 /nfs/dbraw/zinc/65/14/41/1135651441.db2.gz DIWITBDQHSJPEO-UHFFFAOYSA-N 1 1 343.430 3.824 20 30 EHEDMO C[N@@H+](CCc1cccc(C#N)c1)CC(=O)Nc1ccc2ccccc2c1 ZINC001197113989 1135651444 /nfs/dbraw/zinc/65/14/44/1135651444.db2.gz DIWITBDQHSJPEO-UHFFFAOYSA-N 1 1 343.430 3.824 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1C ZINC000747531191 1135743614 /nfs/dbraw/zinc/74/36/14/1135743614.db2.gz SETPJQZHWXWKFE-QUCCMNQESA-N 1 1 339.483 3.815 20 30 EHEDMO Cc1csc(C[C@@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001197864376 1135749562 /nfs/dbraw/zinc/74/95/62/1135749562.db2.gz MCUGEZXWSVAIDA-KRWDZBQOSA-N 1 1 328.456 3.897 20 30 EHEDMO C=CCCC[N@H+](CC)CC(=O)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC001198457923 1135817184 /nfs/dbraw/zinc/81/71/84/1135817184.db2.gz OERWJKWABWHHNH-UHFFFAOYSA-N 1 1 332.532 3.949 20 30 EHEDMO N#CCOc1ccc(Nc2c[nH+]c3ccc(Br)cn23)cc1 ZINC001212605027 1135840630 /nfs/dbraw/zinc/84/06/30/1135840630.db2.gz HXYISKYNUNELQC-UHFFFAOYSA-N 1 1 343.184 3.743 20 30 EHEDMO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000809691993 1135867047 /nfs/dbraw/zinc/86/70/47/1135867047.db2.gz VOPUSVOOGYATKM-HNNXBMFYSA-N 1 1 335.473 3.501 20 30 EHEDMO CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000809691993 1135867048 /nfs/dbraw/zinc/86/70/48/1135867048.db2.gz VOPUSVOOGYATKM-HNNXBMFYSA-N 1 1 335.473 3.501 20 30 EHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1c(O)cccc1OC ZINC000809704841 1135875448 /nfs/dbraw/zinc/87/54/48/1135875448.db2.gz KAEGJVMUVCHFDX-UHFFFAOYSA-N 1 1 329.444 3.757 20 30 EHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1c(O)cccc1OC ZINC000809704841 1135875451 /nfs/dbraw/zinc/87/54/51/1135875451.db2.gz KAEGJVMUVCHFDX-UHFFFAOYSA-N 1 1 329.444 3.757 20 30 EHEDMO C#CC[N@H+](Cc1c[nH]nc1-c1ccc(OC)cc1)Cc1ccccc1 ZINC000809716753 1135877510 /nfs/dbraw/zinc/87/75/10/1135877510.db2.gz RUARUFILKQUVND-UHFFFAOYSA-N 1 1 331.419 3.721 20 30 EHEDMO C#Cc1ccc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1 ZINC000809753147 1135885660 /nfs/dbraw/zinc/88/56/60/1135885660.db2.gz ZJDKANJQLYZCDG-FQEVSTJZSA-N 1 1 342.446 3.833 20 30 EHEDMO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](CC4CCCCC4)C3)CC2=O)c1 ZINC001201397572 1136012354 /nfs/dbraw/zinc/01/23/54/1136012354.db2.gz MTAOCZGVDPMCTD-NRFANRHFSA-N 1 1 337.467 3.567 20 30 EHEDMO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1C[C@H](C)CCC=C(C)C ZINC001201490884 1136027941 /nfs/dbraw/zinc/02/79/41/1136027941.db2.gz PKTAQLPTAUHYDZ-IEBWSBKVSA-N 1 1 331.504 3.904 20 30 EHEDMO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1C[C@H](C)CCC=C(C)C ZINC001201490885 1136028103 /nfs/dbraw/zinc/02/81/03/1136028103.db2.gz PKTAQLPTAUHYDZ-MJGOQNOKSA-N 1 1 331.504 3.904 20 30 EHEDMO CCC[N@H+]1CCc2c(N)sc(Nc3cc(C#N)ccc3OC)c2C1 ZINC001201585168 1136043177 /nfs/dbraw/zinc/04/31/77/1136043177.db2.gz CXCDCSHRZZZWHR-UHFFFAOYSA-N 1 1 342.468 3.722 20 30 EHEDMO CN1CCN(c2cc(Nc3ccc(C#N)c4ccccc34)cc[nH+]2)CC1 ZINC001201658891 1136053004 /nfs/dbraw/zinc/05/30/04/1136053004.db2.gz MAEFFLLUWTUHOV-UHFFFAOYSA-N 1 1 343.434 3.602 20 30 EHEDMO CCCCCCCCC[N@H+]1CC[C@]2(CC(=O)N(c3cnn(C)c3)C2)C1 ZINC001201846913 1136070134 /nfs/dbraw/zinc/07/01/34/1136070134.db2.gz PMGPUSNJNQOCRF-FQEVSTJZSA-N 1 1 346.519 3.600 20 30 EHEDMO COc1ccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c(F)c1OC ZINC001202150168 1136096727 /nfs/dbraw/zinc/09/67/27/1136096727.db2.gz GUZDNFKPGHEIIS-UHFFFAOYSA-N 1 1 334.778 3.658 20 30 EHEDMO c1ccc(C[N@@H+]2C[C@@H]3CCCC(=NNC[C@@H]4CCSC4)[C@@H]3C2)cc1 ZINC000811660935 1136118462 /nfs/dbraw/zinc/11/84/62/1136118462.db2.gz BNNIEJCWOUYXMA-GBESFXJTSA-N 1 1 343.540 3.617 20 30 EHEDMO C#C[C@@H](C)N(C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000812010913 1136163539 /nfs/dbraw/zinc/16/35/39/1136163539.db2.gz NZPREEGOWOZVQK-QGZVFWFLSA-N 1 1 341.499 3.614 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Br)cc2F)c(F)c1 ZINC000105642692 1136189707 /nfs/dbraw/zinc/18/97/07/1136189707.db2.gz ATNUZTIKLYQOFE-UHFFFAOYSA-N 1 1 337.167 3.889 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000812292029 1136192498 /nfs/dbraw/zinc/19/24/98/1136192498.db2.gz UVIXVULPMOOQHC-OAHLLOKOSA-N 1 1 331.485 3.771 20 30 EHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000338934619 1136360625 /nfs/dbraw/zinc/36/06/25/1136360625.db2.gz FFNHVMJFEPSUNL-FQEVSTJZSA-N 1 1 326.415 3.511 20 30 EHEDMO CC(C)[N@@H+](CCOCCC#N)Cc1cc(Br)ccc1F ZINC000338936556 1136377069 /nfs/dbraw/zinc/37/70/69/1136377069.db2.gz QCBRFTMRUAOWSM-UHFFFAOYSA-N 1 1 343.240 3.729 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(N2CCCOC2=O)cc1 ZINC000814303114 1136438530 /nfs/dbraw/zinc/43/85/30/1136438530.db2.gz QLKZXJIQBOPETC-OAHLLOKOSA-N 1 1 335.407 3.756 20 30 EHEDMO C[N@@H+](CCSc1cccc(Cl)c1)C[C@H](O)c1cccc(C#N)c1 ZINC000852210735 1136440685 /nfs/dbraw/zinc/44/06/85/1136440685.db2.gz KQUMVPAZGMKKOG-SFHVURJKSA-N 1 1 346.883 3.969 20 30 EHEDMO C[N@@H+](CCSc1ccc(F)cc1F)C[C@@H](O)c1cccc(C#N)c1 ZINC000852211269 1136440785 /nfs/dbraw/zinc/44/07/85/1136440785.db2.gz QVKAUQLHJPSFBZ-QGZVFWFLSA-N 1 1 348.418 3.594 20 30 EHEDMO COCC[C@H](c1ccccc1)[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852331923 1136450026 /nfs/dbraw/zinc/45/00/26/1136450026.db2.gz NEAWAFZXMCICRC-CTNGQTDRSA-N 1 1 335.451 3.717 20 30 EHEDMO COCC[C@H](c1ccccc1)[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852331923 1136450028 /nfs/dbraw/zinc/45/00/28/1136450028.db2.gz NEAWAFZXMCICRC-CTNGQTDRSA-N 1 1 335.451 3.717 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852737480 1136482228 /nfs/dbraw/zinc/48/22/28/1136482228.db2.gz DOSWGNWDQLUCTM-KBRIMQKVSA-N 1 1 347.434 3.556 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852737480 1136482231 /nfs/dbraw/zinc/48/22/31/1136482231.db2.gz DOSWGNWDQLUCTM-KBRIMQKVSA-N 1 1 347.434 3.556 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+](CCCC#N)C2)C1 ZINC000814674667 1136489229 /nfs/dbraw/zinc/48/92/29/1136489229.db2.gz XBKCJWYBWQXPGF-IAGOWNOFSA-N 1 1 335.492 3.649 20 30 EHEDMO CC(=[NH+][N-]c1nc2ccccc2s1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814686704 1136494400 /nfs/dbraw/zinc/49/44/00/1136494400.db2.gz WWMAYDTWUZCYML-UHFFFAOYSA-N 1 1 336.464 3.821 20 30 EHEDMO CC(=NNc1nc2ccccc2s1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814686704 1136494402 /nfs/dbraw/zinc/49/44/02/1136494402.db2.gz WWMAYDTWUZCYML-UHFFFAOYSA-N 1 1 336.464 3.821 20 30 EHEDMO C[C@H](CNCc1cccc(OCCCC#N)c1)[N@@H+]1CCCC[C@H]1C ZINC000338955088 1136513382 /nfs/dbraw/zinc/51/33/82/1136513382.db2.gz DGABHNYUZJPNDM-QZTJIDSGSA-N 1 1 329.488 3.722 20 30 EHEDMO C[C@H](CNCc1cccc(OCCCC#N)c1)[N@H+]1CCCC[C@H]1C ZINC000338955088 1136513383 /nfs/dbraw/zinc/51/33/83/1136513383.db2.gz DGABHNYUZJPNDM-QZTJIDSGSA-N 1 1 329.488 3.722 20 30 EHEDMO CC(N=Nc1ccnc(Br)c1)c1ccc(C[NH+](C)C)cc1 ZINC000814904734 1136523261 /nfs/dbraw/zinc/52/32/61/1136523261.db2.gz WVDFYFLFYPLLCX-UHFFFAOYSA-N 1 1 347.260 3.742 20 30 EHEDMO CCOc1ccc(N[NH+]=C(C)c2cccc(N3CCOCC3)c2)cc1 ZINC000814983474 1136535196 /nfs/dbraw/zinc/53/51/96/1136535196.db2.gz KVMGPRSVUMKYKZ-UHFFFAOYSA-N 1 1 339.439 3.758 20 30 EHEDMO CC(C)CCO[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000853635622 1136551792 /nfs/dbraw/zinc/55/17/92/1136551792.db2.gz VAVWIUFQQJIXGD-LJQANCHMSA-N 1 1 338.455 3.516 20 30 EHEDMO CC(C)CCO[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000853635622 1136551794 /nfs/dbraw/zinc/55/17/94/1136551794.db2.gz VAVWIUFQQJIXGD-LJQANCHMSA-N 1 1 338.455 3.516 20 30 EHEDMO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000815448268 1136596167 /nfs/dbraw/zinc/59/61/67/1136596167.db2.gz JMEAPMMLTQJEAI-HNAYVOBHSA-N 1 1 326.440 3.960 20 30 EHEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccn1)c1ccc(Br)cc1F ZINC001170794037 1136617067 /nfs/dbraw/zinc/61/70/67/1136617067.db2.gz HYJOIKSPGYOESS-SNVBAGLBSA-N 1 1 334.192 3.706 20 30 EHEDMO O[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2C(F)(F)F)CC[C@H]1F ZINC001138019680 1136650737 /nfs/dbraw/zinc/65/07/37/1136650737.db2.gz UHRLCPYPKCRHOA-NEPJUHHUSA-N 1 1 345.258 3.629 20 30 EHEDMO O[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2C(F)(F)F)CC[C@H]1F ZINC001138019680 1136650739 /nfs/dbraw/zinc/65/07/39/1136650739.db2.gz UHRLCPYPKCRHOA-NEPJUHHUSA-N 1 1 345.258 3.629 20 30 EHEDMO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cccnc2Cl)ccc1OC ZINC000113348011 1136697381 /nfs/dbraw/zinc/69/73/81/1136697381.db2.gz XHJHLDCZZLFYLX-OAHLLOKOSA-N 1 1 345.830 3.714 20 30 EHEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000816656331 1136745456 /nfs/dbraw/zinc/74/54/56/1136745456.db2.gz OIJBHKDCQAHCTR-IBGZPJMESA-N 1 1 345.870 3.743 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@@H](COCC)C2)c1O ZINC000113923761 1136757189 /nfs/dbraw/zinc/75/71/89/1136757189.db2.gz GPLBFVASEYANCR-MRXNPFEDSA-N 1 1 333.472 3.768 20 30 EHEDMO C#CCCCCC(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000816840882 1136757351 /nfs/dbraw/zinc/75/73/51/1136757351.db2.gz HHUWRCIOBHYLJW-UHFFFAOYSA-N 1 1 333.435 3.776 20 30 EHEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2nn(CC)nc2C)cc1 ZINC000818343656 1136873179 /nfs/dbraw/zinc/87/31/79/1136873179.db2.gz COUNTLBHKORECB-CYBMUJFWSA-N 1 1 334.851 3.589 20 30 EHEDMO CCCCCCC[N@H+]1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001170914755 1136890846 /nfs/dbraw/zinc/89/08/46/1136890846.db2.gz IBGWLDDKWYZGRF-INIZCTEOSA-N 1 1 328.497 3.572 20 30 EHEDMO C=C[C@@H]1C[C@@]1(Nc1ccc2[nH+]c(C)n(C(C)C)c2c1)C(=O)OCC ZINC001170924155 1136921656 /nfs/dbraw/zinc/92/16/56/1136921656.db2.gz TYZJZYGFAQNVTG-KUHUBIRLSA-N 1 1 327.428 3.845 20 30 EHEDMO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2nc(C)cs2)ccc1OC ZINC000858378678 1136963044 /nfs/dbraw/zinc/96/30/44/1136963044.db2.gz QAPSYXGOUHVSRE-ZFWWWQNUSA-N 1 1 345.468 3.992 20 30 EHEDMO CN(C)c1[nH+]cc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)n1C ZINC000821032897 1137014654 /nfs/dbraw/zinc/01/46/54/1137014654.db2.gz XFXVLUDWLSNJNX-WAYWQWQTSA-N 1 1 329.787 3.782 20 30 EHEDMO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@H]1C[N@@H+](CCC(C)(C)C#N)C[C@H]12 ZINC000860038267 1137041486 /nfs/dbraw/zinc/04/14/86/1137041486.db2.gz QSKZITFYQRLXIM-QAETUUGQSA-N 1 1 347.503 3.504 20 30 EHEDMO C=C(Br)C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000860046686 1137041793 /nfs/dbraw/zinc/04/17/93/1137041793.db2.gz CVOXFZNENFMJNO-LBPRGKRZSA-N 1 1 339.060 3.915 20 30 EHEDMO CC[C@](C)(C(=O)OC)[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CC1CC1 ZINC000822504326 1137063470 /nfs/dbraw/zinc/06/34/70/1137063470.db2.gz RXKBEKBYHNIDNJ-MGPUTAFESA-N 1 1 344.455 3.531 20 30 EHEDMO Cc1cc(-c2noc([C@H]([NH3+])CCCC#N)n2)ccc1Br ZINC000822658743 1137068603 /nfs/dbraw/zinc/06/86/03/1137068603.db2.gz ATKBDKOMIVFRSD-GFCCVEGCSA-N 1 1 335.205 3.501 20 30 EHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H](C(=O)OC)C(F)(F)F)cc1 ZINC001171015522 1137097846 /nfs/dbraw/zinc/09/78/46/1137097846.db2.gz ODHBYSRLXOJJQL-HUUCEWRRSA-N 1 1 342.361 3.525 20 30 EHEDMO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C[C@](C)(O)c1ccccc1 ZINC000823591375 1137105538 /nfs/dbraw/zinc/10/55/38/1137105538.db2.gz KEKYTBWBUWRJOP-IBGZPJMESA-N 1 1 344.842 3.582 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000823616802 1137106792 /nfs/dbraw/zinc/10/67/92/1137106792.db2.gz BYZLHEYMSTUBOO-LAUBAEHRSA-N 1 1 347.462 3.742 20 30 EHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1nc2c(cc1C#N)CCC2 ZINC000339028715 1137109634 /nfs/dbraw/zinc/10/96/34/1137109634.db2.gz GCXNONYIJLHEMS-UHFFFAOYSA-N 1 1 334.467 3.894 20 30 EHEDMO Cc1ccn2c(C[N@H+]3CCC[C@H](Oc4ccc(C#N)cc4)C3)cnc2c1 ZINC001136893054 1137141686 /nfs/dbraw/zinc/14/16/86/1137141686.db2.gz XLZGJEAZDLBFOK-FQEVSTJZSA-N 1 1 346.434 3.558 20 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/nfs/dbraw/zinc/30/18/03/1137301803.db2.gz NQEAVDXAEQMJNY-INIZCTEOSA-N 1 1 345.487 3.756 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](CC(=O)OC(C)(C)C)CC2CC2)cc1 ZINC000846053170 1137330536 /nfs/dbraw/zinc/33/05/36/1137330536.db2.gz NSLYECJLNMQCKJ-HNNXBMFYSA-N 1 1 344.455 3.531 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+](CC(=O)OC(C)(C)C)CC2CC2)cc1 ZINC000846053170 1137330538 /nfs/dbraw/zinc/33/05/38/1137330538.db2.gz NSLYECJLNMQCKJ-HNNXBMFYSA-N 1 1 344.455 3.531 20 30 EHEDMO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866218759 1137335788 /nfs/dbraw/zinc/33/57/88/1137335788.db2.gz XJZYKHKQXWPSKZ-OLZOCXBDSA-N 1 1 326.396 3.693 20 30 EHEDMO C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(C#N)c1[O-] ZINC000866335640 1137346626 /nfs/dbraw/zinc/34/66/26/1137346626.db2.gz DIQBUCOCDPQXQU-YQQAZPJKSA-N 1 1 327.472 3.567 20 30 EHEDMO CC(=O)c1ccc(N2CC[NH+]([C@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171224972 1137350463 /nfs/dbraw/zinc/35/04/63/1137350463.db2.gz WESXFQIDRXYBIL-QGZVFWFLSA-N 1 1 347.462 3.514 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001171224964 1137350604 /nfs/dbraw/zinc/35/06/04/1137350604.db2.gz WCYKMFGPJHFUMI-JTSKRJEESA-N 1 1 345.446 3.904 20 30 EHEDMO Oc1ccc(Br)cc1/C=N/[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000846757398 1137363602 /nfs/dbraw/zinc/36/36/02/1137363602.db2.gz YNBKYVGTJTWJBG-PKMXSDERSA-N 1 1 337.261 3.591 20 30 EHEDMO C#C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000847024872 1137383287 /nfs/dbraw/zinc/38/32/87/1137383287.db2.gz MAERFCDRKRSKLO-CYBMUJFWSA-N 1 1 345.240 3.949 20 30 EHEDMO C#C[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000847024872 1137383288 /nfs/dbraw/zinc/38/32/88/1137383288.db2.gz MAERFCDRKRSKLO-CYBMUJFWSA-N 1 1 345.240 3.949 20 30 EHEDMO Cc1cccc(C(C)C)c1NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867943130 1137390612 /nfs/dbraw/zinc/39/06/12/1137390612.db2.gz MWFBIOUVCXUQIX-HXUWFJFHSA-N 1 1 333.435 3.816 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC3(CCC3)C2)cc1Cl 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N#CCC[C@@H](C#N)C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000264912136 1138674060 /nfs/dbraw/zinc/67/40/60/1138674060.db2.gz ZDFLIWLSSPXRFP-KSSFIOAISA-N 1 1 331.847 3.529 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@H+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC000338418023 1138905026 /nfs/dbraw/zinc/90/50/26/1138905026.db2.gz AKZCWWLVMOFTSP-UHFFFAOYSA-N 1 1 327.472 3.537 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC000338418023 1138905030 /nfs/dbraw/zinc/90/50/30/1138905030.db2.gz AKZCWWLVMOFTSP-UHFFFAOYSA-N 1 1 327.472 3.537 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cc(Br)cn1C ZINC000151514680 1139038889 /nfs/dbraw/zinc/03/88/89/1139038889.db2.gz PEFHOQGBZRWRAK-LBPRGKRZSA-N 1 1 332.245 3.852 20 30 EHEDMO N#CCC[C@@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000153663163 1139146820 /nfs/dbraw/zinc/14/68/20/1139146820.db2.gz YQWGSMSHOIAIAN-UYAOXDASSA-N 1 1 339.483 3.802 20 30 EHEDMO COc1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1OC1CCCC1 ZINC000174345873 1139414884 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3.662 20 30 EHEDMO N#Cc1ccc(-c2nnc(C[NH2+][C@@H](c3ccccc3)C3CC3)o2)cc1 ZINC000179697250 1139775924 /nfs/dbraw/zinc/77/59/24/1139775924.db2.gz ZTBDQHPROZYLSM-IBGZPJMESA-N 1 1 330.391 3.849 20 30 EHEDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@@H](C)c1ccc(C#N)cc1 ZINC000179722581 1139777481 /nfs/dbraw/zinc/77/74/81/1139777481.db2.gz QZKXMUMCWOHLMP-AWEZNQCLSA-N 1 1 340.423 3.864 20 30 EHEDMO C[C@H](NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181513543 1139911764 /nfs/dbraw/zinc/91/17/64/1139911764.db2.gz NQIGAHWOUJWCDN-KURKYZTESA-N 1 1 329.488 3.608 20 30 EHEDMO Cc1cnc([C@H](C)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000181863476 1139937348 /nfs/dbraw/zinc/93/73/48/1139937348.db2.gz VLCWDIPQSHEKCB-HNNXBMFYSA-N 1 1 340.496 3.638 20 30 EHEDMO CC[C@H](CC#N)[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000184093977 1140079080 /nfs/dbraw/zinc/07/90/80/1140079080.db2.gz KCVBEPLCONLJGO-MRXNPFEDSA-N 1 1 330.863 3.984 20 30 EHEDMO C=C(C)C[C@@H](C)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000185431707 1140149775 /nfs/dbraw/zinc/14/97/75/1140149775.db2.gz JUFUSCBAFWZKSB-GOSISDBHSA-N 1 1 328.500 3.959 20 30 EHEDMO C[N@@H+](CCCCC#N)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000198672758 1140639768 /nfs/dbraw/zinc/63/97/68/1140639768.db2.gz OTLVDYPWNXTSMW-UHFFFAOYSA-N 1 1 347.768 3.923 20 30 EHEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000267628789 1140813639 /nfs/dbraw/zinc/81/36/39/1140813639.db2.gz RZAKTFMBGPXJBT-VQIMIIECSA-N 1 1 333.435 3.765 20 30 EHEDMO CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000268699233 1140973285 /nfs/dbraw/zinc/97/32/85/1140973285.db2.gz QUGIDZCPPSASMH-IERDGZPVSA-N 1 1 338.451 3.553 20 30 EHEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000269637064 1141130425 /nfs/dbraw/zinc/13/04/25/1141130425.db2.gz MWIQMIIZJSCQPF-OAHLLOKOSA-N 1 1 349.356 3.539 20 30 EHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c[nH]nc1-c1ccccc1 ZINC000348647361 1141561554 /nfs/dbraw/zinc/56/15/54/1141561554.db2.gz QIHCWWJSWUTCEM-UHFFFAOYSA-N 1 1 337.423 3.740 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c[nH]nc1-c1ccccc1 ZINC000348647361 1141561560 /nfs/dbraw/zinc/56/15/60/1141561560.db2.gz QIHCWWJSWUTCEM-UHFFFAOYSA-N 1 1 337.423 3.740 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000339380511 1014302213 /nfs/dbraw/zinc/30/22/13/1014302213.db2.gz XTHYTWNOZMYSSC-INIZCTEOSA-N 1 1 340.398 3.574 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCCCc1ccccc1 ZINC001167056637 1014645437 /nfs/dbraw/zinc/64/54/37/1014645437.db2.gz YAKFLLMVKRQOBY-QGZVFWFLSA-N 1 1 335.451 3.840 20 30 EHEDMO C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000430186578 1014659439 /nfs/dbraw/zinc/65/94/39/1014659439.db2.gz MINYPDIPOKTYKI-SJBKTWHCSA-N 1 1 347.462 3.917 20 30 EHEDMO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)NCc2ccc(C#N)cc2)c1C ZINC000610215055 1015003627 /nfs/dbraw/zinc/00/36/27/1015003627.db2.gz DJVRRAXIWYUYQH-NRFANRHFSA-N 1 1 347.462 3.628 20 30 EHEDMO CCC1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000155108354 1016157677 /nfs/dbraw/zinc/15/76/77/1016157677.db2.gz KIOPYMYVEZBWQV-UHFFFAOYSA-N 1 1 339.483 3.563 20 30 EHEDMO CCC1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000155108354 1016157684 /nfs/dbraw/zinc/15/76/84/1016157684.db2.gz KIOPYMYVEZBWQV-UHFFFAOYSA-N 1 1 339.483 3.563 20 30 EHEDMO COc1ccc([C@H]2CC[N@@H+](CCCC3(C#N)CCOCC3)C2)cc1 ZINC000375606612 1016268580 /nfs/dbraw/zinc/26/85/80/1016268580.db2.gz IRZNOLHRESHXJO-SFHVURJKSA-N 1 1 328.456 3.585 20 30 EHEDMO C=CCCCCCCC[N@@H+]1CCn2c(C(=O)OCC)cnc2[C@H]1C ZINC001209442269 1016300546 /nfs/dbraw/zinc/30/05/46/1016300546.db2.gz PAMLABGGNVPHIQ-MRXNPFEDSA-N 1 1 333.476 3.963 20 30 EHEDMO C=CCCCCCCC[N@H+]1CCn2c(C(=O)OCC)cnc2[C@H]1C ZINC001209442269 1016300555 /nfs/dbraw/zinc/30/05/55/1016300555.db2.gz PAMLABGGNVPHIQ-MRXNPFEDSA-N 1 1 333.476 3.963 20 30 EHEDMO COc1cccc(C[N@@H+](CC(C)C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC001167199164 1016555451 /nfs/dbraw/zinc/55/54/51/1016555451.db2.gz GETCMGIKBCWEIP-NRFANRHFSA-N 1 1 338.451 3.758 20 30 EHEDMO C[C@H]([NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)N(C)CCC#N ZINC000070787126 1016580859 /nfs/dbraw/zinc/58/08/59/1016580859.db2.gz GQDSSNCUMMNCTQ-UWVGGRQHSA-N 1 1 346.233 3.544 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1ccoc1C ZINC000178726032 1016761075 /nfs/dbraw/zinc/76/10/75/1016761075.db2.gz MSLBMHKAYWSAQG-CQSZACIVSA-N 1 1 332.469 3.685 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccoc1C ZINC000178726032 1016761093 /nfs/dbraw/zinc/76/10/93/1016761093.db2.gz MSLBMHKAYWSAQG-CQSZACIVSA-N 1 1 332.469 3.685 20 30 EHEDMO C=CC[N@@H+](CCOc1ccccc1C(=O)OC)CCc1ccccc1 ZINC001167274146 1016925558 /nfs/dbraw/zinc/92/55/58/1016925558.db2.gz ZPEKMZACWFYNAH-UHFFFAOYSA-N 1 1 339.435 3.583 20 30 EHEDMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000414564164 1016971413 /nfs/dbraw/zinc/97/14/13/1016971413.db2.gz XJKLWNVMFAYGQO-CQSZACIVSA-N 1 1 334.485 3.954 20 30 EHEDMO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000538141258 1032162930 /nfs/dbraw/zinc/16/29/30/1032162930.db2.gz JVZLZEGPZDSYLL-LLVKDONJSA-N 1 1 345.245 3.984 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2coc(-c3ccc(F)cc3)n2)no1 ZINC000904664247 1032186935 /nfs/dbraw/zinc/18/69/35/1032186935.db2.gz DBDOYMUTCUCTEW-OAHLLOKOSA-N 1 1 342.374 3.811 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(C(C)(C)c2ccc(OC)c(OC)c2)no1 ZINC000904700840 1032198971 /nfs/dbraw/zinc/19/89/71/1032198971.db2.gz RFPSCZSTHBJUFE-CQSZACIVSA-N 1 1 345.443 3.769 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(C2(c3ccccc3)CCOCC2)no1 ZINC000904713641 1032203429 /nfs/dbraw/zinc/20/34/29/1032203429.db2.gz OYIVWURMNGJDLX-MRXNPFEDSA-N 1 1 327.428 3.522 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000485008727 1032235008 /nfs/dbraw/zinc/23/50/08/1032235008.db2.gz WWUDGJIJSAJPAX-WMZOPIPTSA-N 1 1 345.487 3.978 20 30 EHEDMO COc1ccc(Br)cc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000016377864 1032389193 /nfs/dbraw/zinc/38/91/93/1032389193.db2.gz SRYVRCACIKQMBP-UHFFFAOYSA-N 1 1 345.240 3.961 20 30 EHEDMO COc1ccc(Br)cc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000016377864 1032389183 /nfs/dbraw/zinc/38/91/83/1032389183.db2.gz SRYVRCACIKQMBP-UHFFFAOYSA-N 1 1 345.240 3.961 20 30 EHEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CCOc1ccccc1C#N)CCC2 ZINC000348219041 1032413668 /nfs/dbraw/zinc/41/36/68/1032413668.db2.gz RXZYHHWMDHANEB-INIZCTEOSA-N 1 1 327.453 3.711 20 30 EHEDMO CCOC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000459711735 1032442129 /nfs/dbraw/zinc/44/21/29/1032442129.db2.gz MIKZHHFJZHRVBK-OAHLLOKOSA-N 1 1 337.261 3.712 20 30 EHEDMO CCOC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000459711735 1032442133 /nfs/dbraw/zinc/44/21/33/1032442133.db2.gz MIKZHHFJZHRVBK-OAHLLOKOSA-N 1 1 337.261 3.712 20 30 EHEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000459768398 1032471185 /nfs/dbraw/zinc/47/11/85/1032471185.db2.gz RCQMAARZZVLQGN-HNNXBMFYSA-N 1 1 339.414 3.589 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459802893 1032482789 /nfs/dbraw/zinc/48/27/89/1032482789.db2.gz NCHBOCJKAGXYDC-AZUAARDMSA-N 1 1 326.484 3.861 20 30 EHEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000537048584 1032501698 /nfs/dbraw/zinc/50/16/98/1032501698.db2.gz QPNPVJKLPSFHQU-CQSZACIVSA-N 1 1 332.419 3.641 20 30 EHEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000537048584 1032501706 /nfs/dbraw/zinc/50/17/06/1032501706.db2.gz QPNPVJKLPSFHQU-CQSZACIVSA-N 1 1 332.419 3.641 20 30 EHEDMO Cc1ccccc1[C@@H](C)[N@H+](CC(=O)NC1(C#N)CCC1)CC(C)C ZINC000584425802 1032515487 /nfs/dbraw/zinc/51/54/87/1032515487.db2.gz ODZTVZIKUJNPFM-QGZVFWFLSA-N 1 1 327.472 3.577 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cc1 ZINC000449424917 1032539733 /nfs/dbraw/zinc/53/97/33/1032539733.db2.gz PPWRXTAFZJVWMJ-SFTDATJTSA-N 1 1 341.426 3.551 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2cccc(Cl)c2)CC1 ZINC000058580298 1032592148 /nfs/dbraw/zinc/59/21/48/1032592148.db2.gz JIYOLDYKRFHXSF-UHFFFAOYSA-N 1 1 325.843 3.924 20 30 EHEDMO CC[N@@H+](C[C@H]1CN(c2ccccc2)C(=O)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC000172385622 1032650147 /nfs/dbraw/zinc/65/01/47/1032650147.db2.gz RDVVEKOPDUKXCC-JXFKEZNVSA-N 1 1 349.434 3.967 20 30 EHEDMO C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC[N@H+]1C ZINC000610271190 1017121235 /nfs/dbraw/zinc/12/12/35/1017121235.db2.gz JBXYVDPKQVLBJM-DYESRHJHSA-N 1 1 349.478 3.710 20 30 EHEDMO C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCN1C ZINC000610271190 1017121241 /nfs/dbraw/zinc/12/12/41/1017121241.db2.gz JBXYVDPKQVLBJM-DYESRHJHSA-N 1 1 349.478 3.710 20 30 EHEDMO C[C@@H]1C[C@H](NCc2cccc(OCc3cccc(C#N)c3)c2)CC[N@@H+]1C ZINC000610271190 1017121249 /nfs/dbraw/zinc/12/12/49/1017121249.db2.gz JBXYVDPKQVLBJM-DYESRHJHSA-N 1 1 349.478 3.710 20 30 EHEDMO C[C@@H]1C[C@H](NCc2cccc(OCc3cccc(C#N)c3)c2)CC[N@H+]1C ZINC000610271190 1017121255 /nfs/dbraw/zinc/12/12/55/1017121255.db2.gz JBXYVDPKQVLBJM-DYESRHJHSA-N 1 1 349.478 3.710 20 30 EHEDMO C=C(C)c1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000890891424 1017252297 /nfs/dbraw/zinc/25/22/97/1017252297.db2.gz ZCEGRJPUBBKBJN-IBGZPJMESA-N 1 1 335.451 3.965 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000275592885 1017409059 /nfs/dbraw/zinc/40/90/59/1017409059.db2.gz KCGBWQUAIHGEKR-IIDMSEBBSA-N 1 1 343.471 3.854 20 30 EHEDMO C=C(C)CN1CCC([NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)CC1 ZINC000655731566 1017484954 /nfs/dbraw/zinc/48/49/54/1017484954.db2.gz SNDMLMMGHVKQEB-UHFFFAOYSA-N 1 1 338.499 3.619 20 30 EHEDMO C[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1ccc(C#N)c(F)c1 ZINC000537408953 1032709332 /nfs/dbraw/zinc/70/93/32/1032709332.db2.gz RMXDXZSIVIMLOT-NSHDSACASA-N 1 1 328.778 3.849 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2c(Cl)cccc2C#N)C1 ZINC000610281756 1017614493 /nfs/dbraw/zinc/61/44/93/1017614493.db2.gz IBWUMCYWTFYHBX-QGZVFWFLSA-N 1 1 325.843 3.922 20 30 EHEDMO C=C(C)C[N@@H+](CC)Cc1nc2cc(C(=O)OCC)ccc2n1CC ZINC000472751524 1017715336 /nfs/dbraw/zinc/71/53/36/1017715336.db2.gz ODFKORPHUGXCAK-UHFFFAOYSA-N 1 1 329.444 3.631 20 30 EHEDMO C=C(C)C[N@H+](CC)Cc1nc2cc(C(=O)OCC)ccc2n1CC ZINC000472751524 1017715350 /nfs/dbraw/zinc/71/53/50/1017715350.db2.gz ODFKORPHUGXCAK-UHFFFAOYSA-N 1 1 329.444 3.631 20 30 EHEDMO CC(C)[N@@H+](CCC(=O)N(C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000135009021 1018254159 /nfs/dbraw/zinc/25/41/59/1018254159.db2.gz CVCLXTOZBCSDTF-UHFFFAOYSA-N 1 1 335.451 3.822 20 30 EHEDMO Cc1c(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)oc2c1cccc2C ZINC000593088096 1032755088 /nfs/dbraw/zinc/75/50/88/1032755088.db2.gz SCQUTKQMQBMHGC-FQEVSTJZSA-N 1 1 341.455 3.536 20 30 EHEDMO Cc1c(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)oc2c1cccc2C ZINC000593088096 1032755100 /nfs/dbraw/zinc/75/51/00/1032755100.db2.gz SCQUTKQMQBMHGC-FQEVSTJZSA-N 1 1 341.455 3.536 20 30 EHEDMO C[C@H](NC(=O)Nc1cccc(CC#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000580282594 1018917058 /nfs/dbraw/zinc/91/70/58/1018917058.db2.gz SVCNCPGTFDVFFA-RDJZCZTQSA-N 1 1 340.471 3.527 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419369204 1018923610 /nfs/dbraw/zinc/92/36/10/1018923610.db2.gz HGRUGVDTUIUQDS-ZJIFWQFVSA-N 1 1 345.512 3.996 20 30 EHEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1snc(Cl)c1C#N ZINC000078674785 1018927117 /nfs/dbraw/zinc/92/71/17/1018927117.db2.gz IBSMGPGCWZTYDJ-AWEZNQCLSA-N 1 1 346.887 3.626 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1nc2c(cc1C#N)CCC2 ZINC000398006162 1018950425 /nfs/dbraw/zinc/95/04/25/1018950425.db2.gz BBAKMVYDPFHDII-OXJNMPFZSA-N 1 1 346.478 3.764 20 30 EHEDMO COC(=O)c1cccc(C[N@@H+](C)CC2(c3ccccc3)CC2)c1C#N ZINC000548073475 1018957809 /nfs/dbraw/zinc/95/78/09/1018957809.db2.gz SYPCMKDXLBTWRV-UHFFFAOYSA-N 1 1 334.419 3.508 20 30 EHEDMO COCC[N@@H+](CCOc1ccc(F)cc1)Cc1ccc(C#N)cc1C ZINC000614397992 1018964579 /nfs/dbraw/zinc/96/45/79/1018964579.db2.gz CXGCUYCEVASYRQ-UHFFFAOYSA-N 1 1 342.414 3.533 20 30 EHEDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181112158 1019367065 /nfs/dbraw/zinc/36/70/65/1019367065.db2.gz DHJDFKPEKGTLDX-CQSZACIVSA-N 1 1 337.261 3.569 20 30 EHEDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CC(C)(C)C#N ZINC000500982510 1019666142 /nfs/dbraw/zinc/66/61/42/1019666142.db2.gz OOTRIPOSVRFCBP-SFHVURJKSA-N 1 1 341.499 3.515 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1 ZINC000058733100 1032857548 /nfs/dbraw/zinc/85/75/48/1032857548.db2.gz LQGNOPXETBGSRX-HXUWFJFHSA-N 1 1 348.450 3.734 20 30 EHEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C(C)(C)C1 ZINC000610452529 1019879078 /nfs/dbraw/zinc/87/90/78/1019879078.db2.gz ZNXZBQPQBYZGMB-GFCCVEGCSA-N 1 1 331.485 3.557 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093318687 1032863387 /nfs/dbraw/zinc/86/33/87/1032863387.db2.gz FIZHHDDGAKFYMN-CQSZACIVSA-N 1 1 341.377 3.883 20 30 EHEDMO COc1ccc(C[N@@H+](C)Cc2cccc(Br)c2)cc1C#N ZINC000087833212 1020222073 /nfs/dbraw/zinc/22/20/73/1020222073.db2.gz LTAJDCIJQJIVLG-UHFFFAOYSA-N 1 1 345.240 3.961 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccn(C(F)F)c1=O ZINC000602484342 1032914269 /nfs/dbraw/zinc/91/42/69/1032914269.db2.gz OCTLTJWWGHWSOP-IRXDYDNUSA-N 1 1 343.377 3.515 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccn(C(F)F)c1=O ZINC000602484342 1032914274 /nfs/dbraw/zinc/91/42/74/1032914274.db2.gz OCTLTJWWGHWSOP-IRXDYDNUSA-N 1 1 343.377 3.515 20 30 EHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505169 1020857758 /nfs/dbraw/zinc/85/77/58/1020857758.db2.gz AIZZMRWOJHGMKK-HNNXBMFYSA-N 1 1 329.400 3.534 20 30 EHEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505169 1020857761 /nfs/dbraw/zinc/85/77/61/1020857761.db2.gz AIZZMRWOJHGMKK-HNNXBMFYSA-N 1 1 329.400 3.534 20 30 EHEDMO Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc(C#N)n1 ZINC000308280153 1021065081 /nfs/dbraw/zinc/06/50/81/1021065081.db2.gz RRUFDTJVDLAXIT-HXUWFJFHSA-N 1 1 334.467 3.974 20 30 EHEDMO CCCCCCCC(=O)N1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001270134787 1021289670 /nfs/dbraw/zinc/28/96/70/1021289670.db2.gz UCCBXUVSYPGTTB-UHFFFAOYSA-N 1 1 346.519 3.585 20 30 EHEDMO C[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000507715513 1021467910 /nfs/dbraw/zinc/46/79/10/1021467910.db2.gz DPFKTJLNFVOMAA-OAHLLOKOSA-N 1 1 341.405 3.715 20 30 EHEDMO CCCCCCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C1CCCC1 ZINC001270163811 1021510558 /nfs/dbraw/zinc/51/05/58/1021510558.db2.gz JBTYWNVQXQEMMB-MOPGFXCFSA-N 1 1 336.520 3.591 20 30 EHEDMO CCCCCCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C1CCCC1 ZINC001270163811 1021510575 /nfs/dbraw/zinc/51/05/75/1021510575.db2.gz JBTYWNVQXQEMMB-MOPGFXCFSA-N 1 1 336.520 3.591 20 30 EHEDMO CCCC[C@H](CC)C[N@H+]1CCC12CN(C(=O)c1ccccc1C#N)C2 ZINC001270803165 1021540886 /nfs/dbraw/zinc/54/08/86/1021540886.db2.gz HYXIRKXXKYGVBX-KRWDZBQOSA-N 1 1 339.483 3.675 20 30 EHEDMO C[C@@H](CNCc1ccc(C#N)cc1C(F)(F)F)[N@@H+]1CCCC[C@@H]1C ZINC000581755216 1021687723 /nfs/dbraw/zinc/68/77/23/1021687723.db2.gz BTAIGIKWWZVTTJ-KBPBESRZSA-N 1 1 339.405 3.930 20 30 EHEDMO C[C@@H](CNCc1ccc(C#N)cc1C(F)(F)F)[N@H+]1CCCC[C@@H]1C ZINC000581755216 1021687731 /nfs/dbraw/zinc/68/77/31/1021687731.db2.gz BTAIGIKWWZVTTJ-KBPBESRZSA-N 1 1 339.405 3.930 20 30 EHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cs1 ZINC000891494604 1021756905 /nfs/dbraw/zinc/75/69/05/1021756905.db2.gz GPUTWFQOZVWBIE-MRXNPFEDSA-N 1 1 326.421 3.728 20 30 EHEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cs1 ZINC000891494604 1021756897 /nfs/dbraw/zinc/75/68/97/1021756897.db2.gz GPUTWFQOZVWBIE-MRXNPFEDSA-N 1 1 326.421 3.728 20 30 EHEDMO CCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCc2ccccc21 ZINC000519906903 1021760431 /nfs/dbraw/zinc/76/04/31/1021760431.db2.gz AHWOQZZXKPFGJQ-NRFANRHFSA-N 1 1 347.462 3.574 20 30 EHEDMO Cc1oc(NC(=O)C[NH2+][C@H](C)c2ccccc2Cl)c(C#N)c1C ZINC000140550766 1021896141 /nfs/dbraw/zinc/89/61/41/1021896141.db2.gz XGVIQMBVPJLWDG-LLVKDONJSA-N 1 1 331.803 3.711 20 30 EHEDMO CCC[N@@H+](CC)C[C@H](C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000581853698 1021914208 /nfs/dbraw/zinc/91/42/08/1021914208.db2.gz RHCKGNPPXNHSPG-ZDUSSCGKSA-N 1 1 327.394 3.787 20 30 EHEDMO CCCN(CC)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000581853698 1021914217 /nfs/dbraw/zinc/91/42/17/1021914217.db2.gz RHCKGNPPXNHSPG-ZDUSSCGKSA-N 1 1 327.394 3.787 20 30 EHEDMO CC(C)C[N@@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000520173072 1021985602 /nfs/dbraw/zinc/98/56/02/1021985602.db2.gz IWMHCEGNSZYQIH-HDICACEKSA-N 1 1 341.499 3.806 20 30 EHEDMO C=CCOc1ccc(C[N@H+](C)Cc2cc(OC)cc(OC)c2)cc1 ZINC000506791262 1022025000 /nfs/dbraw/zinc/02/50/00/1022025000.db2.gz UJODZMWXGWDPQM-UHFFFAOYSA-N 1 1 327.424 3.901 20 30 EHEDMO C[C@@H](CCC#N)C[NH+]1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000602639992 1033028968 /nfs/dbraw/zinc/02/89/68/1033028968.db2.gz NTWJIJKRQKLHIQ-HNNXBMFYSA-N 1 1 341.480 3.599 20 30 EHEDMO CC[C@@H](CC#N)[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000517171584 1022103887 /nfs/dbraw/zinc/10/38/87/1022103887.db2.gz OJZBKFWLSZLHFS-RBUKOAKNSA-N 1 1 341.499 3.929 20 30 EHEDMO C=CC[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000426640894 1022123601 /nfs/dbraw/zinc/12/36/01/1022123601.db2.gz WAZCXLUSGUWGCN-MJGOQNOKSA-N 1 1 328.500 3.973 20 30 EHEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000441342640 1022180211 /nfs/dbraw/zinc/18/02/11/1022180211.db2.gz ZVXOZFVWMXYNLC-MAUKXSAKSA-N 1 1 343.446 3.551 20 30 EHEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000441342640 1022180220 /nfs/dbraw/zinc/18/02/20/1022180220.db2.gz ZVXOZFVWMXYNLC-MAUKXSAKSA-N 1 1 343.446 3.551 20 30 EHEDMO C=CCOc1ccc(C[NH2+][C@@H]2COc3ccc(F)cc32)cc1OC ZINC000341548368 1022262283 /nfs/dbraw/zinc/26/22/83/1022262283.db2.gz VBOSTJBTSQUMHO-MRXNPFEDSA-N 1 1 329.371 3.622 20 30 EHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891685303 1022317515 /nfs/dbraw/zinc/31/75/15/1022317515.db2.gz XIZOSSLHTQCNPW-MOPGFXCFSA-N 1 1 346.446 3.650 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)nc1 ZINC000574336688 1033046655 /nfs/dbraw/zinc/04/66/55/1033046655.db2.gz WMOLXMIVBYBBGY-OAHLLOKOSA-N 1 1 334.448 3.943 20 30 EHEDMO N#Cc1cccc(NC(=O)C[NH2+][C@H](CC(F)(F)F)c2ccccc2)c1 ZINC000341582679 1022390727 /nfs/dbraw/zinc/39/07/27/1022390727.db2.gz GRUFNZRMNWEYHZ-MRXNPFEDSA-N 1 1 347.340 3.780 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCC(=O)[C@H](C)C2)cc1F ZINC000328946955 1022537755 /nfs/dbraw/zinc/53/77/55/1022537755.db2.gz KCEWTNTYUSDROW-IUODEOHRSA-N 1 1 343.402 3.782 20 30 EHEDMO CCc1c(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cnn1C(C)(C)C ZINC000330589540 1022623067 /nfs/dbraw/zinc/62/30/67/1022623067.db2.gz YAFZILYENYPSLK-OAHLLOKOSA-N 1 1 334.508 3.626 20 30 EHEDMO Cc1c([C@@H](C)[NH2+]CC2(CC#N)CC2)nnn1-c1ccc(Cl)cc1 ZINC000430730487 1022631967 /nfs/dbraw/zinc/63/19/67/1022631967.db2.gz RLUJOOPDHGFDRQ-GFCCVEGCSA-N 1 1 329.835 3.574 20 30 EHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cn(C)nc2C(C)C)C1 ZINC000330702204 1022654972 /nfs/dbraw/zinc/65/49/72/1022654972.db2.gz ORAJKBYYCCBZNE-HNNXBMFYSA-N 1 1 334.508 3.749 20 30 EHEDMO CC(=O)c1ccc(NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1Cl ZINC000330798274 1022677325 /nfs/dbraw/zinc/67/73/25/1022677325.db2.gz HSRRMUGSFDUKFW-NSHDSACASA-N 1 1 335.835 3.519 20 30 EHEDMO CC(C)(C#N)c1ccc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000528901951 1033072193 /nfs/dbraw/zinc/07/21/93/1033072193.db2.gz SSNZAGZCBOEYEE-SFHVURJKSA-N 1 1 340.471 3.626 20 30 EHEDMO CC[C@H](C)n1ncc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)c1C ZINC000331101789 1022742887 /nfs/dbraw/zinc/74/28/87/1022742887.db2.gz DIWRJSONYMWBDQ-LZWOXQAQSA-N 1 1 335.496 3.513 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000331100648 1022743503 /nfs/dbraw/zinc/74/35/03/1022743503.db2.gz BKALENHXYGRPKP-IBGZPJMESA-N 1 1 347.890 3.574 20 30 EHEDMO N#Cc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)ccc1Cl ZINC001167979197 1022744448 /nfs/dbraw/zinc/74/44/48/1022744448.db2.gz XUQKCDXINADSIJ-AYHJJNSGSA-N 1 1 329.875 3.707 20 30 EHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000506309093 1022899720 /nfs/dbraw/zinc/89/97/20/1022899720.db2.gz JFHGSRBEICHTAH-OXJNMPFZSA-N 1 1 348.450 3.710 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000430936388 1022907497 /nfs/dbraw/zinc/90/74/97/1022907497.db2.gz UTCSUTIKZHZKEQ-IEBWSBKVSA-N 1 1 342.487 3.595 20 30 EHEDMO C=C(C)CN1CCC([NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000510713420 1022957013 /nfs/dbraw/zinc/95/70/13/1022957013.db2.gz DHGAQCRYNLJPHF-UHFFFAOYSA-N 1 1 343.496 3.956 20 30 EHEDMO C=C(C)C[N@@H+](CC)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000684535963 1023071233 /nfs/dbraw/zinc/07/12/33/1023071233.db2.gz YQHAGWPBVXGOMD-CYBMUJFWSA-N 1 1 344.528 3.839 20 30 EHEDMO C#CCCCC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000253336164 1023114260 /nfs/dbraw/zinc/11/42/60/1023114260.db2.gz IAZVAAZVAUGHRS-SJLPKXTDSA-N 1 1 336.838 3.534 20 30 EHEDMO C#CCCCC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000253336164 1023114267 /nfs/dbraw/zinc/11/42/67/1023114267.db2.gz IAZVAAZVAUGHRS-SJLPKXTDSA-N 1 1 336.838 3.534 20 30 EHEDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000598342436 1033107083 /nfs/dbraw/zinc/10/70/83/1033107083.db2.gz NFLHBIHBDPYFGQ-GOSISDBHSA-N 1 1 349.434 3.565 20 30 EHEDMO C=CCc1cc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1O ZINC000076274872 1023130391 /nfs/dbraw/zinc/13/03/91/1023130391.db2.gz BLSWAUVKHPTXNV-UHFFFAOYSA-N 1 1 332.488 3.528 20 30 EHEDMO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000190044793 1023157720 /nfs/dbraw/zinc/15/77/20/1023157720.db2.gz HEWVCRDBKGQPAU-IBGZPJMESA-N 1 1 334.891 3.977 20 30 EHEDMO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000190044793 1023157723 /nfs/dbraw/zinc/15/77/23/1023157723.db2.gz HEWVCRDBKGQPAU-IBGZPJMESA-N 1 1 334.891 3.977 20 30 EHEDMO C[C@H](c1ccc(F)cc1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507166527 1023159014 /nfs/dbraw/zinc/15/90/14/1023159014.db2.gz XAXDSPDTQIFDBX-CQSZACIVSA-N 1 1 327.378 3.720 20 30 EHEDMO CSc1cc2c(cc1C[N@@H+](C)Cc1ccc(C#N)cc1)OCCO2 ZINC000507214309 1023191380 /nfs/dbraw/zinc/19/13/80/1023191380.db2.gz RKIULEOYCBPZBX-UHFFFAOYSA-N 1 1 340.448 3.683 20 30 EHEDMO N#CCCCCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000593988272 1033113899 /nfs/dbraw/zinc/11/38/99/1033113899.db2.gz FCFXVEVXVSSWGP-NRFANRHFSA-N 1 1 339.483 3.585 20 30 EHEDMO Cc1cc(C#N)cc(C)c1C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000897711400 1033128828 /nfs/dbraw/zinc/12/88/28/1033128828.db2.gz LUIFVUCLJJRIOI-AEFFLSMTSA-N 1 1 339.483 3.558 20 30 EHEDMO COc1cc(F)c([C@H](C)[NH2+]Cc2cccc(C#N)c2F)cc1OC ZINC000341877402 1023511175 /nfs/dbraw/zinc/51/11/75/1023511175.db2.gz PBTRUDPCWZMRRV-NSHDSACASA-N 1 1 332.350 3.704 20 30 EHEDMO CN(Cc1ccccc1)[C@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000610786694 1023513432 /nfs/dbraw/zinc/51/34/32/1023513432.db2.gz ZHJVELZGFYSXRN-NRFANRHFSA-N 1 1 349.478 3.533 20 30 EHEDMO C[N@H+](Cc1ccccc1)[C@H]1CCN(CCCOc2cccc(C#N)c2)C1 ZINC000610786694 1023513436 /nfs/dbraw/zinc/51/34/36/1023513436.db2.gz ZHJVELZGFYSXRN-NRFANRHFSA-N 1 1 349.478 3.533 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(CCCOc2cccc(C#N)c2)C1 ZINC000610786694 1023513442 /nfs/dbraw/zinc/51/34/42/1023513442.db2.gz ZHJVELZGFYSXRN-NRFANRHFSA-N 1 1 349.478 3.533 20 30 EHEDMO N#CCCCCC(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000594036858 1033144837 /nfs/dbraw/zinc/14/48/37/1033144837.db2.gz DJTKKCIOUAUQPZ-UHFFFAOYSA-N 1 1 334.423 3.667 20 30 EHEDMO C[C@H]1CCN(Cc2cc(F)ccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000345761955 1024042012 /nfs/dbraw/zinc/04/20/12/1024042012.db2.gz UNFZORGSJZXQDN-KRWDZBQOSA-N 1 1 337.442 3.794 20 30 EHEDMO Cc1noc(C)c1C[NH+](CCCSCC#N)Cc1c(C)noc1C ZINC000342106518 1024046014 /nfs/dbraw/zinc/04/60/14/1024046014.db2.gz ZSPFCCNBELUTID-UHFFFAOYSA-N 1 1 348.472 3.545 20 30 EHEDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)C3(C#N)CCCCC3)sc2C1 ZINC000425087956 1024102123 /nfs/dbraw/zinc/10/21/23/1024102123.db2.gz VKDBKOKSCPIHPZ-UHFFFAOYSA-N 1 1 346.500 3.712 20 30 EHEDMO C=CC[NH+](CC=C)CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000514111766 1024143964 /nfs/dbraw/zinc/14/39/64/1024143964.db2.gz BENMXUWZQNXQME-FQEVSTJZSA-N 1 1 342.483 3.813 20 30 EHEDMO C=CCOc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000181665874 1024180443 /nfs/dbraw/zinc/18/04/43/1024180443.db2.gz FJCHISMZHLWTPN-WMZOPIPTSA-N 1 1 342.483 3.634 20 30 EHEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000329809728 1024203216 /nfs/dbraw/zinc/20/32/16/1024203216.db2.gz BDBXVSXXFFMQFG-BDJLRTHQSA-N 1 1 344.846 3.517 20 30 EHEDMO CC(C)CC1(CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC000329898755 1024239529 /nfs/dbraw/zinc/23/95/29/1024239529.db2.gz FBHJVUDGWUMHRU-MRXNPFEDSA-N 1 1 332.492 3.556 20 30 EHEDMO CCc1nc(C)c(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)s1 ZINC000329899832 1024241327 /nfs/dbraw/zinc/24/13/27/1024241327.db2.gz FUNYGQIIPPLOMD-ZBFHGGJFSA-N 1 1 344.484 3.785 20 30 EHEDMO CCCOc1cc(F)ccc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000329949196 1024261422 /nfs/dbraw/zinc/26/14/22/1024261422.db2.gz LIPDOOVAYQORTM-ZBFHGGJFSA-N 1 1 335.423 3.567 20 30 EHEDMO C[C@H](NC(=O)[C@@H]1CCC[C@H](C(N)=O)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329956403 1024265462 /nfs/dbraw/zinc/26/54/62/1024265462.db2.gz PAUIRHQCVKJMKD-JONQDZQNSA-N 1 1 335.492 3.938 20 30 EHEDMO O=C(Nc1cc(F)ccc1OCC1CC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000330084260 1024313165 /nfs/dbraw/zinc/31/31/65/1024313165.db2.gz BVLUYNBMHSEUAD-WBVHZDCISA-N 1 1 347.434 3.567 20 30 EHEDMO CC[C@H](C)n1ncc(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)c1C ZINC000330172612 1024342033 /nfs/dbraw/zinc/34/20/33/1024342033.db2.gz YCGREVNWUHOGAV-GDIGMMSISA-N 1 1 340.471 3.565 20 30 EHEDMO Cc1ccc(C)c([C@@H]2CCCN2C([O-])=[NH+][C@H]2CCn3ccnc3C2)c1 ZINC000330182751 1024345181 /nfs/dbraw/zinc/34/51/81/1024345181.db2.gz HMZDXGCWDZJKKG-WMZOPIPTSA-N 1 1 338.455 3.566 20 30 EHEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cc(C)cc(F)c1)CC2 ZINC001143587224 1024353024 /nfs/dbraw/zinc/35/30/24/1024353024.db2.gz GWGLDJXKIRSHEW-HXUWFJFHSA-N 1 1 330.447 3.667 20 30 EHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)C1 ZINC000330236219 1024367008 /nfs/dbraw/zinc/36/70/08/1024367008.db2.gz HGLXVTJOXSYNKG-DJIMGWMZSA-N 1 1 327.476 3.724 20 30 EHEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)C1 ZINC000330236219 1024367024 /nfs/dbraw/zinc/36/70/24/1024367024.db2.gz HGLXVTJOXSYNKG-DJIMGWMZSA-N 1 1 327.476 3.724 20 30 EHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)C1 ZINC000330236219 1024367037 /nfs/dbraw/zinc/36/70/37/1024367037.db2.gz HGLXVTJOXSYNKG-DJIMGWMZSA-N 1 1 327.476 3.724 20 30 EHEDMO C[C@@H]1[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000380660306 1024421212 /nfs/dbraw/zinc/42/12/12/1024421212.db2.gz HIPZAPZBOHPZEI-PBHICJAKSA-N 1 1 336.395 3.541 20 30 EHEDMO CC(C)(C)[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(F)cc1 ZINC000474153260 1024437237 /nfs/dbraw/zinc/43/72/37/1024437237.db2.gz KHTVLZFIBBCWFX-UHFFFAOYSA-N 1 1 339.414 3.937 20 30 EHEDMO C=CCN1CCC([NH2+][C@@H](c2cccnc2)c2ccc(F)c(C)c2)CC1 ZINC000544361265 1024454334 /nfs/dbraw/zinc/45/43/34/1024454334.db2.gz ZTBAMALCCHVFOQ-OAQYLSRUSA-N 1 1 339.458 3.859 20 30 EHEDMO CC1(C)CCC[N@H+]1CCNCc1ccc(C#N)cc1C(F)(F)F ZINC000449784169 1033212769 /nfs/dbraw/zinc/21/27/69/1033212769.db2.gz VQFBGRPOFMJOEE-UHFFFAOYSA-N 1 1 325.378 3.541 20 30 EHEDMO CC1(C)CCCN1CC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000449784169 1033212786 /nfs/dbraw/zinc/21/27/86/1033212786.db2.gz VQFBGRPOFMJOEE-UHFFFAOYSA-N 1 1 325.378 3.541 20 30 EHEDMO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000280953353 1024482700 /nfs/dbraw/zinc/48/27/00/1024482700.db2.gz XSSVNNGNAGAEPE-KGWSWXIGSA-N 1 1 340.511 3.753 20 30 EHEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000434897257 1024488646 /nfs/dbraw/zinc/48/86/46/1024488646.db2.gz VIQDXHIXAZZURB-OXJNMPFZSA-N 1 1 333.435 3.765 20 30 EHEDMO CCO[C@@H](C)c1nc(CO[NH+]=C(N)C2CCCCCC2)cs1 ZINC000179004947 1024502827 /nfs/dbraw/zinc/50/28/27/1024502827.db2.gz WJEBBBVQVCKIGL-LBPRGKRZSA-N 1 1 325.478 4.000 20 30 EHEDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000579593583 1024534435 /nfs/dbraw/zinc/53/44/35/1024534435.db2.gz UYZRTGLEZABQRY-WOJBJXKFSA-N 1 1 345.450 3.759 20 30 EHEDMO C=CCOc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 ZINC000434990021 1024544944 /nfs/dbraw/zinc/54/49/44/1024544944.db2.gz DTQIEHLFOBADPU-QFIPXVFZSA-N 1 1 347.462 3.634 20 30 EHEDMO C=C(C)CN1CCC([NH2+]Cc2nc(-c3ccccc3)cs2)CC1 ZINC000106245285 1024564599 /nfs/dbraw/zinc/56/45/99/1024564599.db2.gz FGMUELAICNWAFQ-UHFFFAOYSA-N 1 1 327.497 3.940 20 30 EHEDMO C=C1CCC(C(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)CC1 ZINC000895564177 1024614125 /nfs/dbraw/zinc/61/41/25/1024614125.db2.gz ACUYQMYEONCUCQ-UHFFFAOYSA-N 1 1 349.478 3.625 20 30 EHEDMO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1ncc(-c2ccccc2)o1 ZINC000184847140 1024776098 /nfs/dbraw/zinc/77/60/98/1024776098.db2.gz BQWQSWFZMQIPRP-OAHLLOKOSA-N 1 1 333.391 3.943 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000346521673 1024825720 /nfs/dbraw/zinc/82/57/20/1024825720.db2.gz FOTDSQOHKOBZIQ-INIZCTEOSA-N 1 1 340.492 3.710 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000346521673 1024825737 /nfs/dbraw/zinc/82/57/37/1024825737.db2.gz FOTDSQOHKOBZIQ-INIZCTEOSA-N 1 1 340.492 3.710 20 30 EHEDMO CCC#CC(=O)N1CCC[C@]2(CC[N@H+](C[C@H](CC)CCCC)C2)C1 ZINC001269950625 1024857086 /nfs/dbraw/zinc/85/70/86/1024857086.db2.gz XHEXKIODITZOLG-TZIWHRDSSA-N 1 1 332.532 3.931 20 30 EHEDMO CCc1oc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1C(=O)OC ZINC000425363309 1024859252 /nfs/dbraw/zinc/85/92/52/1024859252.db2.gz BFVSJNRTKUUIRV-CYBMUJFWSA-N 1 1 326.396 3.693 20 30 EHEDMO CCc1oc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1C(=O)OC ZINC000425363309 1024859270 /nfs/dbraw/zinc/85/92/70/1024859270.db2.gz BFVSJNRTKUUIRV-CYBMUJFWSA-N 1 1 326.396 3.693 20 30 EHEDMO C=CC[C@@H](C)C(=O)N1CCC[C@@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001269959175 1024909135 /nfs/dbraw/zinc/90/91/35/1024909135.db2.gz BMCLWTROTGHPLX-WBVHZDCISA-N 1 1 346.437 3.856 20 30 EHEDMO COc1cc(C[N@H+](C)CC#Cc2ccccc2)ccc1OC(F)F ZINC000514983111 1024942819 /nfs/dbraw/zinc/94/28/19/1024942819.db2.gz ZJFUHCGJBKNDIE-UHFFFAOYSA-N 1 1 331.362 3.780 20 30 EHEDMO COc1cc(C[N@@H+](C)CC#Cc2ccccc2)ccc1OC(F)F ZINC000514983111 1024942827 /nfs/dbraw/zinc/94/28/27/1024942827.db2.gz ZJFUHCGJBKNDIE-UHFFFAOYSA-N 1 1 331.362 3.780 20 30 EHEDMO C[N@H+](CCOc1cccc(C#N)c1)Cc1ccccc1Br ZINC000048331340 1024998238 /nfs/dbraw/zinc/99/82/38/1024998238.db2.gz LATQAWBCRSMOPA-UHFFFAOYSA-N 1 1 345.240 3.832 20 30 EHEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccc1Br ZINC000048331340 1024998246 /nfs/dbraw/zinc/99/82/46/1024998246.db2.gz LATQAWBCRSMOPA-UHFFFAOYSA-N 1 1 345.240 3.832 20 30 EHEDMO C=CCOc1ccccc1C[N@@H+]1CC2(CC(OC)(OC)C2)[C@H]1C(C)C ZINC000895997230 1025051125 /nfs/dbraw/zinc/05/11/25/1025051125.db2.gz XGFQJVFBYBTTFN-LJQANCHMSA-N 1 1 345.483 3.861 20 30 EHEDMO COCC[N@@H+](CCc1ccccc1)Cc1cn2ccccc2c1C#N ZINC000346755091 1025091852 /nfs/dbraw/zinc/09/18/52/1025091852.db2.gz YQBDGEVPGZVUIM-UHFFFAOYSA-N 1 1 333.435 3.502 20 30 EHEDMO CC(C)C[N@@H+](CC(=O)N(C)Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000346779031 1025117235 /nfs/dbraw/zinc/11/72/35/1025117235.db2.gz MJOHEXRLVOQFCA-UHFFFAOYSA-N 1 1 349.478 3.675 20 30 EHEDMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000185461863 1025130066 /nfs/dbraw/zinc/13/00/66/1025130066.db2.gz JYTWRBRRGSFEJM-AWEZNQCLSA-N 1 1 329.444 3.638 20 30 EHEDMO C[NH+](C)C[C@H](NCC1(CC#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000602916326 1033263278 /nfs/dbraw/zinc/26/32/78/1033263278.db2.gz SJZGUXXOZJVKHA-HNNXBMFYSA-N 1 1 326.271 3.880 20 30 EHEDMO N#CCSCCC[N@@H+](Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000602923473 1033268932 /nfs/dbraw/zinc/26/89/32/1033268932.db2.gz WVVBUQVMFLOCIG-HXUWFJFHSA-N 1 1 340.492 3.869 20 30 EHEDMO Cc1ccc(C#N)c(Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)n1 ZINC000342410589 1025258194 /nfs/dbraw/zinc/25/81/94/1025258194.db2.gz GPCHCIWECUDBKT-IYBDPMFKSA-N 1 1 336.439 3.615 20 30 EHEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425450575 1025326154 /nfs/dbraw/zinc/32/61/54/1025326154.db2.gz KULSOXJIAQOAJB-APWZRJJASA-N 1 1 342.487 3.525 20 30 EHEDMO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nncn1C ZINC000346933770 1025326551 /nfs/dbraw/zinc/32/65/51/1025326551.db2.gz CAUMUPXJKMEJHN-GJZGRUSLSA-N 1 1 331.423 3.766 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046526818 1033274873 /nfs/dbraw/zinc/27/48/73/1033274873.db2.gz ALQBAUMGGLDCFQ-ZDUSSCGKSA-N 1 1 327.815 3.671 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046526818 1033274881 /nfs/dbraw/zinc/27/48/81/1033274881.db2.gz ALQBAUMGGLDCFQ-ZDUSSCGKSA-N 1 1 327.815 3.671 20 30 EHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CCOc2cccc(C#N)c2)C1 ZINC000438994018 1025390613 /nfs/dbraw/zinc/39/06/13/1025390613.db2.gz CVPZJUBCLOEWJF-SEVLPDGMSA-N 1 1 342.483 3.589 20 30 EHEDMO C[C@@H](CCC#N)C[N@@H+]1CCc2ccc(Br)c(F)c2C1 ZINC000896397582 1025402150 /nfs/dbraw/zinc/40/21/50/1025402150.db2.gz QDIOJWXHJIPOTA-NSHDSACASA-N 1 1 325.225 3.886 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1CCc2ccc(Br)c(F)c2C1 ZINC000896397582 1025402155 /nfs/dbraw/zinc/40/21/55/1025402155.db2.gz QDIOJWXHJIPOTA-NSHDSACASA-N 1 1 325.225 3.886 20 30 EHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(F)c(C#N)c2)C1 ZINC000439015229 1025430723 /nfs/dbraw/zinc/43/07/23/1025430723.db2.gz OMUAYCNJGWXOOE-FPWFTKFVSA-N 1 1 330.447 3.849 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCC[C@H]1C#N ZINC000602979525 1033283252 /nfs/dbraw/zinc/28/32/52/1033283252.db2.gz FHSSIFIKUUKQRK-WFASDCNBSA-N 1 1 339.361 3.658 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000451101892 1025563355 /nfs/dbraw/zinc/56/33/55/1025563355.db2.gz HABRRCVRTJZNSO-PRXAMGSTSA-N 1 1 339.842 3.573 20 30 EHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(C#N)c(OC)c1 ZINC000442886719 1025567950 /nfs/dbraw/zinc/56/79/50/1025567950.db2.gz UOFIJFVABHIUEO-UHFFFAOYSA-N 1 1 337.379 3.663 20 30 EHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(C#N)c(OC)c1 ZINC000442886719 1025567959 /nfs/dbraw/zinc/56/79/59/1025567959.db2.gz UOFIJFVABHIUEO-UHFFFAOYSA-N 1 1 337.379 3.663 20 30 EHEDMO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)CC1 ZINC000329013680 1025568848 /nfs/dbraw/zinc/56/88/48/1025568848.db2.gz JDSFLAIXVGAPNK-BFYDXBDKSA-N 1 1 343.471 3.569 20 30 EHEDMO Cn1nc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1C(F)(F)F ZINC000898021242 1033292559 /nfs/dbraw/zinc/29/25/59/1033292559.db2.gz ZDEVQZWARBOHGP-UHFFFAOYSA-N 1 1 336.361 3.530 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000521686172 1025600014 /nfs/dbraw/zinc/60/00/14/1025600014.db2.gz XBNBPLYAMOLWHJ-UHFFFAOYSA-N 1 1 330.378 3.634 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000521686172 1025600025 /nfs/dbraw/zinc/60/00/25/1025600025.db2.gz XBNBPLYAMOLWHJ-UHFFFAOYSA-N 1 1 330.378 3.634 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCc2ccccc2C)c(C#N)c1C ZINC000451167837 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N#Cc1ccc(C2=CC[N@H+](CC(=O)NCCC3=CCCCC3)CC2)cc1 ZINC000502526906 1028292434 /nfs/dbraw/zinc/29/24/34/1028292434.db2.gz DGRRNBRXLXCQKH-UHFFFAOYSA-N 1 1 349.478 3.654 20 30 EHEDMO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NCCC3=CCCCC3)CC2)cc1 ZINC000502526906 1028292449 /nfs/dbraw/zinc/29/24/49/1028292449.db2.gz DGRRNBRXLXCQKH-UHFFFAOYSA-N 1 1 349.478 3.654 20 30 EHEDMO C=C(CC)CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455525709 1028300304 /nfs/dbraw/zinc/30/03/04/1028300304.db2.gz RQWRGTXWNYXCGP-PMACEKPBSA-N 1 1 341.499 3.649 20 30 EHEDMO CC1(C)[C@@H](c2ccccc2)CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000421391259 1028367810 /nfs/dbraw/zinc/36/78/10/1028367810.db2.gz AFAMVYQXODNGNZ-LJQANCHMSA-N 1 1 330.435 3.974 20 30 EHEDMO C=C(C)COc1cc(C[NH2+]Cc2cn3ccsc3n2)ccc1OC ZINC000057967872 1028379250 /nfs/dbraw/zinc/37/92/50/1028379250.db2.gz FVUUERIWMGWOBZ-UHFFFAOYSA-N 1 1 343.452 3.649 20 30 EHEDMO C=CC[N@H+](C)Cc1cc(Br)c(OCCC)c(OC)c1 ZINC000428382805 1028390502 /nfs/dbraw/zinc/39/05/02/1028390502.db2.gz SHROJIJGCDRBJD-UHFFFAOYSA-N 1 1 328.250 3.864 20 30 EHEDMO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCc1ccc(C#N)c(OC)c1 ZINC000440629005 1028475600 /nfs/dbraw/zinc/47/56/00/1028475600.db2.gz XOKTUCSJOCCBKA-RBUKOAKNSA-N 1 1 329.488 3.557 20 30 EHEDMO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237559138 1028657481 /nfs/dbraw/zinc/65/74/81/1028657481.db2.gz VTEYGKGBASUCLK-QRVBRYPASA-N 1 1 343.515 3.825 20 30 EHEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ncccc2C)no1 ZINC001211975883 1028727792 /nfs/dbraw/zinc/72/77/92/1028727792.db2.gz SAGPSHXJZZCVOQ-HOTGVXAUSA-N 1 1 344.459 3.518 20 30 EHEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000247745730 1028815434 /nfs/dbraw/zinc/81/54/34/1028815434.db2.gz PVEGSQPDOMWUHI-IEBWSBKVSA-N 1 1 325.456 3.588 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000245551683 1028819319 /nfs/dbraw/zinc/81/93/19/1028819319.db2.gz BSCPLMVYXJGAFU-WMLDXEAASA-N 1 1 328.437 3.612 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000245551683 1028819327 /nfs/dbraw/zinc/81/93/27/1028819327.db2.gz BSCPLMVYXJGAFU-WMLDXEAASA-N 1 1 328.437 3.612 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000091552900 1028881717 /nfs/dbraw/zinc/88/17/17/1028881717.db2.gz OQWIGHGEXNDHAO-QGZVFWFLSA-N 1 1 343.515 3.548 20 30 EHEDMO C=C(C)C[C@@H](C)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248625222 1028927864 /nfs/dbraw/zinc/92/78/64/1028927864.db2.gz NQZDTRYOFHMQAX-KURKYZTESA-N 1 1 344.499 3.514 20 30 EHEDMO C=C(C)C[C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248625222 1028927884 /nfs/dbraw/zinc/92/78/84/1028927884.db2.gz NQZDTRYOFHMQAX-KURKYZTESA-N 1 1 344.499 3.514 20 30 EHEDMO C[N@H+]1CCc2c(C#N)c(Nc3cccc(OC(F)F)c3)sc2C1 ZINC001212053841 1028929441 /nfs/dbraw/zinc/92/94/41/1028929441.db2.gz JAXFTJIZRZYKQE-UHFFFAOYSA-N 1 1 335.379 3.953 20 30 EHEDMO CC(C)C[N@@H+](CCc1ccccc1)CC(=O)Nc1sccc1C#N ZINC000532928081 1029052799 /nfs/dbraw/zinc/05/27/99/1029052799.db2.gz HPNSZSPMYZRVRU-UHFFFAOYSA-N 1 1 341.480 3.759 20 30 EHEDMO CCC[C@H]1CN(C(=O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000343086910 1029079181 /nfs/dbraw/zinc/07/91/81/1029079181.db2.gz DPBLSQOXFUVYKN-NRFANRHFSA-N 1 1 347.462 3.685 20 30 EHEDMO C=C(C)C(C)(C)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000424586575 1029136761 /nfs/dbraw/zinc/13/67/61/1029136761.db2.gz FLJQTXGLVOLGLH-IAGOWNOFSA-N 1 1 344.499 3.514 20 30 EHEDMO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000532982941 1029139214 /nfs/dbraw/zinc/13/92/14/1029139214.db2.gz SDJVOGIZTPDLBM-MRXNPFEDSA-N 1 1 339.826 3.640 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)ccc1OC ZINC000245727432 1029162234 /nfs/dbraw/zinc/16/22/34/1029162234.db2.gz JAWFFPSMPFTEDA-ROUUACIJSA-N 1 1 331.456 3.651 20 30 EHEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000533003662 1029163139 /nfs/dbraw/zinc/16/31/39/1029163139.db2.gz FAPSSGCFSUGKDA-WMZOPIPTSA-N 1 1 346.902 3.708 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)N(CC#N)C2CCCC2)cc1)C1CC1 ZINC000078207242 1029241785 /nfs/dbraw/zinc/24/17/85/1029241785.db2.gz DCWQPLUAOXEKTG-UHFFFAOYSA-N 1 1 325.456 3.579 20 30 EHEDMO C=C(C)C(C)(C)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424705128 1029282470 /nfs/dbraw/zinc/28/24/70/1029282470.db2.gz YBAQMBAWRPJHSI-IBGZPJMESA-N 1 1 328.500 3.959 20 30 EHEDMO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2cccs2)c1C#N ZINC000535978601 1029453633 /nfs/dbraw/zinc/45/36/33/1029453633.db2.gz QHBHMQKFMRTWEC-MRXNPFEDSA-N 1 1 326.421 3.743 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2cccs2)c1C#N ZINC000535978601 1029453637 /nfs/dbraw/zinc/45/36/37/1029453637.db2.gz QHBHMQKFMRTWEC-MRXNPFEDSA-N 1 1 326.421 3.743 20 30 EHEDMO C=C(C)CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000454927305 1029464135 /nfs/dbraw/zinc/46/41/35/1029464135.db2.gz QNDHPIDBLBDERY-GOSISDBHSA-N 1 1 329.488 3.553 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)c(Br)c1 ZINC000615093019 1029544875 /nfs/dbraw/zinc/54/48/75/1029544875.db2.gz CQPSUTJJFMPVHJ-SNVBAGLBSA-N 1 1 334.192 3.706 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(F)c1C#N ZINC000428439256 1029598483 /nfs/dbraw/zinc/59/84/83/1029598483.db2.gz LXLNWZIYMPGJRT-IERDGZPVSA-N 1 1 337.442 3.698 20 30 EHEDMO CCn1nc(C)c(C[NH2+][C@@H](CCC#N)c2ccc(OC)cc2)c1C ZINC000583361587 1029703307 /nfs/dbraw/zinc/70/33/07/1029703307.db2.gz AXXZRHFICYYMGW-IBGZPJMESA-N 1 1 326.444 3.663 20 30 EHEDMO C[C@@H](C[N@H+](CCCC1(C#N)CCOCC1)[C@H](C)CO)c1ccccc1 ZINC000347385596 1029720190 /nfs/dbraw/zinc/72/01/90/1029720190.db2.gz ZZYDQFCHYPCZLH-RBUKOAKNSA-N 1 1 344.499 3.573 20 30 EHEDMO C[N@H+](CC#Cc1cccc(Cl)c1)C[C@H]1OCCc2ccccc21 ZINC000446839999 1029821541 /nfs/dbraw/zinc/82/15/41/1029821541.db2.gz WKEJTYYZCLOLRT-HXUWFJFHSA-N 1 1 325.839 3.937 20 30 EHEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@H]1OCCc2ccccc21 ZINC000446839999 1029821551 /nfs/dbraw/zinc/82/15/51/1029821551.db2.gz WKEJTYYZCLOLRT-HXUWFJFHSA-N 1 1 325.839 3.937 20 30 EHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(CC#N)cc2Cl)[C@H](C)C1 ZINC000455695771 1029837342 /nfs/dbraw/zinc/83/73/42/1029837342.db2.gz BLSHNLYDPFDRPH-CXAGYDPISA-N 1 1 348.878 3.600 20 30 EHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(CC#N)cc2Cl)C[C@H]1C ZINC000455709920 1029855589 /nfs/dbraw/zinc/85/55/89/1029855589.db2.gz VVUGFORNNCTABJ-UKRRQHHQSA-N 1 1 348.878 3.743 20 30 EHEDMO CC[C@@H](C[N@@H+](CC)CC(=O)N(CC)C[C@H](C)C#N)c1ccccc1 ZINC000481746684 1029893116 /nfs/dbraw/zinc/89/31/16/1029893116.db2.gz SUGIISYLVWUAKS-MSOLQXFVSA-N 1 1 329.488 3.510 20 30 EHEDMO C[C@@H](Cc1ccsc1)[N@@H+](CCN(C)C)Cc1ccc(C#N)cc1 ZINC000583527327 1030042153 /nfs/dbraw/zinc/04/21/53/1030042153.db2.gz XVFWMSABMGBEHH-INIZCTEOSA-N 1 1 327.497 3.615 20 30 EHEDMO C[C@@H](Cc1ccsc1)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000583527327 1030042160 /nfs/dbraw/zinc/04/21/60/1030042160.db2.gz XVFWMSABMGBEHH-INIZCTEOSA-N 1 1 327.497 3.615 20 30 EHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)Cn1cc[nH+]c1C1CC1 ZINC000600611560 1030049882 /nfs/dbraw/zinc/04/98/82/1030049882.db2.gz QPEZEGHXEKGEMJ-ZDUSSCGKSA-N 1 1 340.452 3.651 20 30 EHEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000090450341 1030115547 /nfs/dbraw/zinc/11/55/47/1030115547.db2.gz KJLWPENFAJLBFO-IAGOWNOFSA-N 1 1 346.434 3.691 20 30 EHEDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000447830606 1030521259 /nfs/dbraw/zinc/52/12/59/1030521259.db2.gz KZXVPJZULDJSKB-YOEHRIQHSA-N 1 1 325.374 3.682 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000122248160 1030555436 /nfs/dbraw/zinc/55/54/36/1030555436.db2.gz UFGIYSSPAZXXTH-KRWDZBQOSA-N 1 1 345.487 3.741 20 30 EHEDMO COC(=O)C1([N@H+](C)Cc2cccc(OCCCC#N)c2)CCCCC1 ZINC000093359733 1030590472 /nfs/dbraw/zinc/59/04/72/1030590472.db2.gz IGGJRDASIOGNLH-UHFFFAOYSA-N 1 1 344.455 3.677 20 30 EHEDMO COC(=O)C1([N@@H+](C)Cc2cccc(OCCCC#N)c2)CCCCC1 ZINC000093359733 1030590484 /nfs/dbraw/zinc/59/04/84/1030590484.db2.gz IGGJRDASIOGNLH-UHFFFAOYSA-N 1 1 344.455 3.677 20 30 EHEDMO COc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1OCCCC#N ZINC000093442161 1030613334 /nfs/dbraw/zinc/61/33/34/1030613334.db2.gz OABQZSJLSPMGTC-HDICACEKSA-N 1 1 328.456 4.000 20 30 EHEDMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000093478390 1030616425 /nfs/dbraw/zinc/61/64/25/1030616425.db2.gz DJEXYTXQLVJOAT-UWJYYQICSA-N 1 1 336.435 3.859 20 30 EHEDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000093478390 1030616437 /nfs/dbraw/zinc/61/64/37/1030616437.db2.gz DJEXYTXQLVJOAT-UWJYYQICSA-N 1 1 336.435 3.859 20 30 EHEDMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000192631469 1030838310 /nfs/dbraw/zinc/83/83/10/1030838310.db2.gz INZAVTPQFBIUIL-AWEZNQCLSA-N 1 1 333.391 3.936 20 30 EHEDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000192631469 1030838331 /nfs/dbraw/zinc/83/83/31/1030838331.db2.gz INZAVTPQFBIUIL-AWEZNQCLSA-N 1 1 333.391 3.936 20 30 EHEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]2CCC[C@H]21)c1cccc(Cl)c1 ZINC000347364059 1030885542 /nfs/dbraw/zinc/88/55/42/1030885542.db2.gz DLZUFNXNUSKQEF-MAUKXSAKSA-N 1 1 345.874 3.851 20 30 EHEDMO C=CCn1c(SCC[C@H]2CCCC[N@@H+]2C)nc2ccccc2c1=O ZINC000061573628 1030932430 /nfs/dbraw/zinc/93/24/30/1030932430.db2.gz RPSXKJUDVZTTIY-OAHLLOKOSA-N 1 1 343.496 3.549 20 30 EHEDMO CC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC1CCC1 ZINC000483131669 1030991450 /nfs/dbraw/zinc/99/14/50/1030991450.db2.gz CFEWEXNZOJAQNX-HNNXBMFYSA-N 1 1 345.512 3.999 20 30 EHEDMO C=C(C)[C@@H](NC(=O)NCC[N@H+](C)CCCC)c1ccc(F)c(F)c1 ZINC000477076947 1031236103 /nfs/dbraw/zinc/23/61/03/1031236103.db2.gz YAEJRAMMPDBSAI-QGZVFWFLSA-N 1 1 339.430 3.613 20 30 EHEDMO C=CCCC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000483766371 1031330880 /nfs/dbraw/zinc/33/08/80/1031330880.db2.gz ZLQJYKUKEHVNQI-PKOBYXMFSA-N 1 1 326.484 3.760 20 30 EHEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)CCOc2cccc(C#N)c2)s1 ZINC000122067450 1031335187 /nfs/dbraw/zinc/33/51/87/1031335187.db2.gz BTQGMZRFHLWMMS-AWEZNQCLSA-N 1 1 329.469 3.957 20 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3.885 20 30 EHEDMO C[C@H](c1cccc(Nc2cccc(F)c2C#N)c1)[NH+]1CCOCC1 ZINC000511458922 1035470188 /nfs/dbraw/zinc/47/01/88/1035470188.db2.gz DVBOBGCXRGOACY-CQSZACIVSA-N 1 1 325.387 3.834 20 30 EHEDMO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cc2n(n1)CCC2 ZINC000414098772 1035489554 /nfs/dbraw/zinc/48/95/54/1035489554.db2.gz SVTKCHAHGIUAEN-ZDUSSCGKSA-N 1 1 333.357 3.550 20 30 EHEDMO C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428768355 1035507011 /nfs/dbraw/zinc/50/70/11/1035507011.db2.gz ANGBFUZHFRCWSI-GUYCJALGSA-N 1 1 327.815 3.821 20 30 EHEDMO C=CCCC1(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000475790872 1035905740 /nfs/dbraw/zinc/90/57/40/1035905740.db2.gz NVBFLOMRMHUUSW-UHFFFAOYSA-N 1 1 348.531 3.663 20 30 EHEDMO Cc1cc(C[NH2+][C@H](c2nc(-c3cccnc3)no2)C(C)C)ccc1C#N ZINC000443972588 1036022328 /nfs/dbraw/zinc/02/23/28/1036022328.db2.gz YCNRXQOTQXWGBU-SFHVURJKSA-N 1 1 347.422 3.799 20 30 EHEDMO C=CC[N@H+](CCC(=O)Nc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000063300128 1036042891 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EHEDMO COc1cc(CN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)ccc1C#N ZINC000589322846 1036359219 /nfs/dbraw/zinc/35/92/19/1036359219.db2.gz ORNRPUGCJPVVTA-HXUWFJFHSA-N 1 1 349.478 3.710 20 30 EHEDMO COc1cc(CN[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)ccc1C#N ZINC000589322846 1036359238 /nfs/dbraw/zinc/35/92/38/1036359238.db2.gz ORNRPUGCJPVVTA-HXUWFJFHSA-N 1 1 349.478 3.710 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000165295851 1036367082 /nfs/dbraw/zinc/36/70/82/1036367082.db2.gz ANLBXXFPJGJERX-UHFFFAOYSA-N 1 1 337.398 3.691 20 30 EHEDMO N#CC(CC[N@H+]1CC[C@]2(CCOC2)C1)(c1ccccc1)c1ccccc1 ZINC000191546509 1036412035 /nfs/dbraw/zinc/41/20/35/1036412035.db2.gz OEHBMMBKYGQZCT-QFIPXVFZSA-N 1 1 346.474 3.999 20 30 EHEDMO C=CCC1(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000191906300 1036442324 /nfs/dbraw/zinc/44/23/24/1036442324.db2.gz ICRIHXDWCVBHQF-GOSISDBHSA-N 1 1 326.484 3.856 20 30 EHEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2cnc3ccc(C#N)cn23)c1 ZINC000541554270 1036447704 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333.479 3.883 20 30 EHEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc(Cl)cc1C ZINC000491344079 1037401964 /nfs/dbraw/zinc/40/19/64/1037401964.db2.gz WDBONBDELGGYER-UHFFFAOYSA-N 1 1 332.831 3.911 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc(Cl)cc1C ZINC000491344079 1037401974 /nfs/dbraw/zinc/40/19/74/1037401974.db2.gz WDBONBDELGGYER-UHFFFAOYSA-N 1 1 332.831 3.911 20 30 EHEDMO C=CC[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)CC1CCCCC1 ZINC000303432301 1037405767 /nfs/dbraw/zinc/40/57/67/1037405767.db2.gz FBZDFXXFCYCAMV-UHFFFAOYSA-N 1 1 345.874 3.916 20 30 EHEDMO COc1ccc(F)cc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000462794749 1037409587 /nfs/dbraw/zinc/40/95/87/1037409587.db2.gz WRJHGGHPWZNRPX-UHFFFAOYSA-N 1 1 337.316 3.994 20 30 EHEDMO CC[N@H+](CC(=O)Nc1sccc1C#N)[C@@H](C)c1cccc(OC)c1 ZINC000045806104 1037431483 /nfs/dbraw/zinc/43/14/83/1037431483.db2.gz GBPSXURFSLHWOG-ZDUSSCGKSA-N 1 1 343.452 3.650 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H](C)c1cccc(OC)c1 ZINC000045806104 1037431490 /nfs/dbraw/zinc/43/14/90/1037431490.db2.gz GBPSXURFSLHWOG-ZDUSSCGKSA-N 1 1 343.452 3.650 20 30 EHEDMO C=CC[N@@H+](CCCc1nc(-c2ccccc2)no1)CCc1ccco1 ZINC000491379949 1037433943 /nfs/dbraw/zinc/43/39/43/1037433943.db2.gz KYZBSZCAGHYXFN-UHFFFAOYSA-N 1 1 337.423 3.993 20 30 EHEDMO C[C@H]1SCC[N@H+](Cc2ccc(C#N)cc2Br)[C@H]1C ZINC000181116592 1037436087 /nfs/dbraw/zinc/43/60/87/1037436087.db2.gz FKIGDKBKTGRFAE-WDEREUQCSA-N 1 1 325.275 3.647 20 30 EHEDMO C[C@H]1SCC[N@@H+](Cc2ccc(C#N)cc2Br)[C@H]1C ZINC000181116592 1037436096 /nfs/dbraw/zinc/43/60/96/1037436096.db2.gz FKIGDKBKTGRFAE-WDEREUQCSA-N 1 1 325.275 3.647 20 30 EHEDMO C=CC[N@H+](Cc1cc(=O)n2cccc(C)c2n1)CC1CCCCC1 ZINC000303466262 1037439669 /nfs/dbraw/zinc/43/96/69/1037439669.db2.gz PLCXBHAVXDFVCH-UHFFFAOYSA-N 1 1 325.456 3.571 20 30 EHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1cccc(O)c1 ZINC000181228440 1037455557 /nfs/dbraw/zinc/45/55/57/1037455557.db2.gz KHHITFVNVAVFBM-NSHDSACASA-N 1 1 331.213 3.877 20 30 EHEDMO C=CCCC[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000540066820 1037516541 /nfs/dbraw/zinc/51/65/41/1037516541.db2.gz VHYYVMNPCJQXHH-UHFFFAOYSA-N 1 1 330.501 3.593 20 30 EHEDMO C=C[C@@](C)(CC)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000573570603 1037632426 /nfs/dbraw/zinc/63/24/26/1037632426.db2.gz IQENPAWGKSPRGR-LPHOPBHVSA-N 1 1 334.529 3.939 20 30 EHEDMO C=C[C@@](C)(CC)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000573570600 1037633091 /nfs/dbraw/zinc/63/30/91/1037633091.db2.gz IQENPAWGKSPRGR-APWZRJJASA-N 1 1 334.529 3.939 20 30 EHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000172765239 1037639806 /nfs/dbraw/zinc/63/98/06/1037639806.db2.gz AVIAANMULKMISS-FQEVSTJZSA-N 1 1 347.418 3.572 20 30 EHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000172765239 1037639816 /nfs/dbraw/zinc/63/98/16/1037639816.db2.gz AVIAANMULKMISS-FQEVSTJZSA-N 1 1 347.418 3.572 20 30 EHEDMO CC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1nnc2n1CCCCC2 ZINC000573647259 1037670663 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C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(C#N)c2F)C1 ZINC000463215820 1037910041 /nfs/dbraw/zinc/91/00/41/1037910041.db2.gz YPIUUIOODHCDDM-FCLVOEFKSA-N 1 1 330.447 3.849 20 30 EHEDMO C[C@@H]1CC2(C[N@@H+]1Cc1ccc(Br)cc1C#N)CCOCC2 ZINC000592185437 1037932076 /nfs/dbraw/zinc/93/20/76/1037932076.db2.gz ZGOLHMLSPRCNNU-CYBMUJFWSA-N 1 1 349.272 3.712 20 30 EHEDMO C[C@@H]1CC2(C[N@H+]1Cc1ccc(Br)cc1C#N)CCOCC2 ZINC000592185437 1037932085 /nfs/dbraw/zinc/93/20/85/1037932085.db2.gz ZGOLHMLSPRCNNU-CYBMUJFWSA-N 1 1 349.272 3.712 20 30 EHEDMO C=CCOc1ccccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000538799763 1038537952 /nfs/dbraw/zinc/53/79/52/1038537952.db2.gz VDEJDSYRDSDSKJ-PXNSSMCTSA-N 1 1 326.484 3.700 20 30 EHEDMO CC(C)[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CC1 ZINC000108358059 1038540056 /nfs/dbraw/zinc/54/00/56/1038540056.db2.gz RCAKQAGYZAPYRV-AWEZNQCLSA-N 1 1 331.485 3.750 20 30 EHEDMO CC[C@H](C)c1nnc([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[nH]1 ZINC000330201005 1038633274 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340.467 3.841 20 30 EHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)COc1cccc2ccccc21 ZINC000609487403 1123590339 /nfs/dbraw/zinc/59/03/39/1123590339.db2.gz YQLAPWHOEYVKGH-GOSISDBHSA-N 1 1 340.467 3.841 20 30 EHEDMO C[C@H]1C[C@@H](NC(=O)Nc2cccc(C#Cc3ccccc3)c2)CC[N@H+]1C ZINC000466036213 1129126980 /nfs/dbraw/zinc/12/69/80/1129126980.db2.gz OJPNJRDGGIDFIW-UWJYYQICSA-N 1 1 347.462 3.691 20 30 EHEDMO CC(C)(C)[N@H+]1CCCN(c2c(C#N)cnc3c(F)cc(F)cc32)CC1 ZINC000609570876 1123611287 /nfs/dbraw/zinc/61/12/87/1123611287.db2.gz JRHWXMIEFAUXFX-UHFFFAOYSA-N 1 1 344.409 3.695 20 30 EHEDMO C[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000609549855 1123612174 /nfs/dbraw/zinc/61/21/74/1123612174.db2.gz ZOCIKCSTZMVPSY-IBGZPJMESA-N 1 1 335.407 3.773 20 30 EHEDMO C[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000609549855 1123612176 /nfs/dbraw/zinc/61/21/76/1123612176.db2.gz ZOCIKCSTZMVPSY-IBGZPJMESA-N 1 1 335.407 3.773 20 30 EHEDMO CCc1ccc(CC[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000609671736 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EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000247092921 1124587754 /nfs/dbraw/zinc/58/77/54/1124587754.db2.gz XNZCMJUNBNGOTQ-BZUAXINKSA-N 1 1 345.512 3.997 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000247092921 1124587763 /nfs/dbraw/zinc/58/77/63/1124587763.db2.gz XNZCMJUNBNGOTQ-BZUAXINKSA-N 1 1 345.512 3.997 20 30 EHEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000249058963 1124733151 /nfs/dbraw/zinc/73/31/51/1124733151.db2.gz HIBLKBQVCWESPA-SVFBPWRDSA-N 1 1 342.483 3.692 20 30 EHEDMO C[C@@H]([NH2+]Cc1nccn1CCc1ccccc1)c1cccc(C#N)c1 ZINC000181869008 1125071365 /nfs/dbraw/zinc/07/13/65/1125071365.db2.gz ISVIECLDYSEOFR-QGZVFWFLSA-N 1 1 330.435 3.848 20 30 EHEDMO C=CCc1cc(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)cc(OC)c1O ZINC000093324681 1125224984 /nfs/dbraw/zinc/22/49/84/1125224984.db2.gz BBJUUUCRYAJUIZ-OAHLLOKOSA-N 1 1 341.451 3.898 20 30 EHEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(c3ncco3)CC2)c1 ZINC000826776997 1131342702 /nfs/dbraw/zinc/34/27/02/1131342702.db2.gz LXHAHTZOGVUEOL-UHFFFAOYSA-N 1 1 346.228 3.688 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000619067587 1125271311 /nfs/dbraw/zinc/27/13/11/1125271311.db2.gz ZRIKFTMJRAUZJQ-UHFFFAOYSA-N 1 1 344.462 3.747 20 30 EHEDMO N#Cc1ccc(CN2CCC[N@H+](Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000619067587 1125271316 /nfs/dbraw/zinc/27/13/16/1125271316.db2.gz ZRIKFTMJRAUZJQ-UHFFFAOYSA-N 1 1 344.462 3.747 20 30 EHEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000619067587 1125271324 /nfs/dbraw/zinc/27/13/24/1125271324.db2.gz ZRIKFTMJRAUZJQ-UHFFFAOYSA-N 1 1 344.462 3.747 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000619403715 1125344833 /nfs/dbraw/zinc/34/48/33/1125344833.db2.gz ZZPDLGBDZBQARH-BBWFWOEESA-N 1 1 349.544 3.812 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@@H+](C)C[C@@H](C)c2nccs2)c1O ZINC000182837932 1125378299 /nfs/dbraw/zinc/37/82/99/1125378299.db2.gz ACAITWVKWOFCJN-CYBMUJFWSA-N 1 1 332.469 3.821 20 30 EHEDMO CCC[N@@H+](Cc1ccnc(C#N)c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000619723537 1125389307 /nfs/dbraw/zinc/38/93/07/1125389307.db2.gz KCOBXOPSULXTBY-INIZCTEOSA-N 1 1 336.439 3.583 20 30 EHEDMO CC(N=Nc1cc(F)cc(F)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735614146 1131363409 /nfs/dbraw/zinc/36/34/09/1131363409.db2.gz QDEFNNWBAIKFDL-LJQANCHMSA-N 1 1 345.393 3.654 20 30 EHEDMO CC(N=Nc1cc(F)cc(F)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735614146 1131363411 /nfs/dbraw/zinc/36/34/11/1131363411.db2.gz QDEFNNWBAIKFDL-LJQANCHMSA-N 1 1 345.393 3.654 20 30 EHEDMO Cc1cc(C[NH2+]Cc2cc(C#N)ccc2Br)cc(C)n1 ZINC000922191812 1129325132 /nfs/dbraw/zinc/32/51/32/1129325132.db2.gz LBDGVBBENHEOES-UHFFFAOYSA-N 1 1 330.229 3.622 20 30 EHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@H](C)C2)c1C#N ZINC000261382975 1129521179 /nfs/dbraw/zinc/52/11/79/1129521179.db2.gz HAAWUPVMFPWNAN-AWEZNQCLSA-N 1 1 342.487 3.762 20 30 EHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H](C)C2)c1C#N ZINC000261382975 1129521183 /nfs/dbraw/zinc/52/11/83/1129521183.db2.gz HAAWUPVMFPWNAN-AWEZNQCLSA-N 1 1 342.487 3.762 20 30 EHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(N2CCCC2)nc1 ZINC000154373475 1129553711 /nfs/dbraw/zinc/55/37/11/1129553711.db2.gz DUNDLNHFDZRTMX-UHFFFAOYSA-N 1 1 334.467 3.964 20 30 EHEDMO COc1ccc(CC[N@H+](Cc2ccc(C#N)o2)CC(C)C)cc1OC ZINC000093479429 1129590749 /nfs/dbraw/zinc/59/07/49/1129590749.db2.gz IGZOHGLOVIYVNJ-UHFFFAOYSA-N 1 1 342.439 3.869 20 30 EHEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2cnc3ccc(C#N)cn23)c1 ZINC000093512836 1129591488 /nfs/dbraw/zinc/59/14/88/1129591488.db2.gz ADHDAQVWSRUCDF-FQEVSTJZSA-N 1 1 345.450 3.609 20 30 EHEDMO C[C@@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)[C@@H]1c1cccc(F)c1 ZINC000093735847 1129601378 /nfs/dbraw/zinc/60/13/78/1129601378.db2.gz XVPYVMHOPLDORK-VLIAUNLRSA-N 1 1 334.398 3.928 20 30 EHEDMO C[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@@H]1c1cccc(F)c1 ZINC000093735847 1129601380 /nfs/dbraw/zinc/60/13/80/1129601380.db2.gz XVPYVMHOPLDORK-VLIAUNLRSA-N 1 1 334.398 3.928 20 30 EHEDMO CC[N@@H+](Cc1cc2ccccc2[nH]c1=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000171809106 1130089496 /nfs/dbraw/zinc/08/94/96/1130089496.db2.gz COXFUSOUUDAVRB-HNNXBMFYSA-N 1 1 331.419 3.983 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)CCc1ccc(Cl)cc1 ZINC000172078875 1130103836 /nfs/dbraw/zinc/10/38/36/1130103836.db2.gz RSBVJPMJFWLDQU-UHFFFAOYSA-N 1 1 347.871 3.776 20 30 EHEDMO Cc1ccc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000701831814 1130175900 /nfs/dbraw/zinc/17/59/00/1130175900.db2.gz SOAAKSIRBHTUBT-RXVVDRJESA-N 1 1 333.479 3.867 20 30 EHEDMO Cc1ccc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000701831814 1130175904 /nfs/dbraw/zinc/17/59/04/1130175904.db2.gz SOAAKSIRBHTUBT-RXVVDRJESA-N 1 1 333.479 3.867 20 30 EHEDMO C=CC[NH+](CC=C)CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000674709120 1130179847 /nfs/dbraw/zinc/17/98/47/1130179847.db2.gz AXKMGHZXUPAVHO-LBPRGKRZSA-N 1 1 327.255 3.845 20 30 EHEDMO CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000173873061 1130321494 /nfs/dbraw/zinc/32/14/94/1130321494.db2.gz FJRDEPHKTAZXET-NRFANRHFSA-N 1 1 347.462 3.571 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncc(C#N)cc2Cl)C1 ZINC000246766713 1130411345 /nfs/dbraw/zinc/41/13/45/1130411345.db2.gz OGYODBAZJKMSQO-HUUCEWRRSA-N 1 1 332.879 3.697 20 30 EHEDMO C=C[C@H](C)[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000675933865 1130507029 /nfs/dbraw/zinc/50/70/29/1130507029.db2.gz UFPCPSCCFYVCDT-QWRGUYRKSA-N 1 1 335.249 3.563 20 30 EHEDMO Oc1cccc(/C=N/C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1O ZINC000731938249 1130867571 /nfs/dbraw/zinc/86/75/71/1130867571.db2.gz SJSHQENSKYWKSB-ZOQJFYJNSA-N 1 1 336.435 3.712 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000732185289 1130894439 /nfs/dbraw/zinc/89/44/39/1130894439.db2.gz LXMNLOWXHOPPOF-CABCVRRESA-N 1 1 331.485 3.771 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000732185289 1130894443 /nfs/dbraw/zinc/89/44/43/1130894443.db2.gz LXMNLOWXHOPPOF-CABCVRRESA-N 1 1 331.485 3.771 20 30 EHEDMO C=CCOCCC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000348040402 1131135209 /nfs/dbraw/zinc/13/52/09/1131135209.db2.gz VKZICFXSHLOFAE-OAQYLSRUSA-N 1 1 328.500 3.567 20 30 EHEDMO C=CCOCCC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000348040402 1131135215 /nfs/dbraw/zinc/13/52/15/1131135215.db2.gz VKZICFXSHLOFAE-OAQYLSRUSA-N 1 1 328.500 3.567 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(C(F)F)CC2)cc1C ZINC000766191068 1131157582 /nfs/dbraw/zinc/15/75/82/1131157582.db2.gz QDIOXBHBNGATMY-UHFFFAOYSA-N 1 1 349.425 3.527 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1cccc([N+](=O)[O-])c1 ZINC000734362515 1131224441 /nfs/dbraw/zinc/22/44/41/1131224441.db2.gz QMHXBXFQRSWMIS-OAHLLOKOSA-N 1 1 338.411 3.905 20 30 EHEDMO CC(C)[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CCC1 ZINC000740886611 1131553851 /nfs/dbraw/zinc/55/38/51/1131553851.db2.gz XIAWETBJUKGIAL-AWEZNQCLSA-N 1 1 327.453 3.735 20 30 EHEDMO CC(C)[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CCC1 ZINC000740886611 1131553856 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C=CCc1cc(C[N@H+]2CCC[C@H]2C2CCOCC2)c(O)c(OC)c1 ZINC000776769542 1136659356 /nfs/dbraw/zinc/65/93/56/1136659356.db2.gz GUSKEHONLBXIOS-SFHVURJKSA-N 1 1 331.456 3.520 20 30 EHEDMO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc4ccccc4c3O)CCO2)c1 ZINC000816522114 1136732849 /nfs/dbraw/zinc/73/28/49/1136732849.db2.gz KTBJKMKTUWETPR-NRFANRHFSA-N 1 1 344.414 3.991 20 30 EHEDMO COc1nc(C)cc(C)c1C[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000857069058 1136840914 /nfs/dbraw/zinc/84/09/14/1136840914.db2.gz NPXOQAUAEXKSHX-MRXNPFEDSA-N 1 1 339.439 3.630 20 30 EHEDMO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000857069058 1136840917 /nfs/dbraw/zinc/84/09/17/1136840917.db2.gz NPXOQAUAEXKSHX-MRXNPFEDSA-N 1 1 339.439 3.630 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(CN[C@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000817919734 1136846345 /nfs/dbraw/zinc/84/63/45/1136846345.db2.gz VIJHZFXEGBUQBI-BHIYHBOVSA-N 1 1 329.488 3.768 20 30 EHEDMO Cc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)ccc1C#N ZINC000858016797 1136932338 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Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CCO[C@H](C)C#N ZINC000859915261 1137037027 /nfs/dbraw/zinc/03/70/27/1137037027.db2.gz PQWLNGCNAYAGGW-CZUORRHYSA-N 1 1 337.261 3.823 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859931223 1137037615 /nfs/dbraw/zinc/03/76/15/1137037615.db2.gz MWYHYNNGFLRJJC-MVJPYGJCSA-N 1 1 345.446 3.621 20 30 EHEDMO C#CCCOc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000822529365 1137062415 /nfs/dbraw/zinc/06/24/15/1137062415.db2.gz DBZZOLRWFTWRHE-OAQYLSRUSA-N 1 1 339.479 3.870 20 30 EHEDMO N#CCCC[C@H]([NH3+])c1nc(COc2cccc(Cl)c2Cl)no1 ZINC000823295218 1137094899 /nfs/dbraw/zinc/09/48/99/1137094899.db2.gz DXGHGAQJWWZFCP-JTQLQIEISA-N 1 1 341.198 3.649 20 30 EHEDMO C[C@@H]1CCC[N@H+](Cc2ccc(OCC#N)cc2)[C@H]1C(=O)OC(C)(C)C ZINC000823508959 1137104090 /nfs/dbraw/zinc/10/40/90/1137104090.db2.gz BGUAOXAWWFGGAX-CRAIPNDOSA-N 1 1 344.455 3.531 20 30 EHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)[C@H]1C(=O)OC(C)(C)C ZINC000823508959 1137104091 /nfs/dbraw/zinc/10/40/91/1137104091.db2.gz BGUAOXAWWFGGAX-CRAIPNDOSA-N 1 1 344.455 3.531 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000823616896 1137106611 /nfs/dbraw/zinc/10/66/11/1137106611.db2.gz DFBNZAXGHZSHGF-NVXWUHKLSA-N 1 1 343.471 3.808 20 30 EHEDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1O ZINC000823617334 1137106676 /nfs/dbraw/zinc/10/66/76/1137106676.db2.gz IEXIKKMQGCQRBO-LBPRGKRZSA-N 1 1 326.371 3.799 20 30 EHEDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1O ZINC000823617310 1137106810 /nfs/dbraw/zinc/10/68/10/1137106810.db2.gz IEXIKKMQGCQRBO-GFCCVEGCSA-N 1 1 326.371 3.799 20 30 EHEDMO Cc1cc(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)cn2cc[nH+]c12 ZINC000861833339 1137122075 /nfs/dbraw/zinc/12/20/75/1137122075.db2.gz STCFBSGHXKKUFE-UHFFFAOYSA-N 1 1 344.418 3.965 20 30 EHEDMO CCn1nc(C)c(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000824143574 1137125960 /nfs/dbraw/zinc/12/59/60/1137125960.db2.gz WCDHDRVBDLXLSC-OAHLLOKOSA-N 1 1 345.450 3.996 20 30 EHEDMO C#CC[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000862442440 1137144943 /nfs/dbraw/zinc/14/49/43/1137144943.db2.gz CBEMDHGGMAUSTG-GOSISDBHSA-N 1 1 342.446 3.780 20 30 EHEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000862444061 1137145139 /nfs/dbraw/zinc/14/51/39/1137145139.db2.gz XCPXMSONLFPYJL-KRWDZBQOSA-N 1 1 348.446 3.793 20 30 EHEDMO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cn3)C2)cc1 ZINC001136932969 1137149179 /nfs/dbraw/zinc/14/91/79/1137149179.db2.gz ZOUJUNYTGIRNHK-GOSISDBHSA-N 1 1 327.815 3.650 20 30 EHEDMO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(Cl)cn3)C2)cc1 ZINC001136932969 1137149181 /nfs/dbraw/zinc/14/91/81/1137149181.db2.gz ZOUJUNYTGIRNHK-GOSISDBHSA-N 1 1 327.815 3.650 20 30 EHEDMO NC(CCC(F)(F)F)=[NH+]OCc1c(F)c(F)c(F)c(F)c1F ZINC000863491812 1137189277 /nfs/dbraw/zinc/18/92/77/1137189277.db2.gz YSVJURMOVBYNPG-UHFFFAOYSA-N 1 1 336.182 3.723 20 30 EHEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(F)cc(F)c1C)C2 ZINC001143764152 1137196766 /nfs/dbraw/zinc/19/67/66/1137196766.db2.gz KUPMWJSESOUUFL-IEBWSBKVSA-N 1 1 337.410 3.599 20 30 EHEDMO FC(F)(F)CCNN=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000794551480 1137199946 /nfs/dbraw/zinc/19/99/46/1137199946.db2.gz CJPKYISOBVYGKV-CVEARBPZSA-N 1 1 339.405 3.817 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)c1 ZINC000844370636 1137213315 /nfs/dbraw/zinc/21/33/15/1137213315.db2.gz IHSQRMZVDFJYCL-LJQANCHMSA-N 1 1 326.827 3.695 20 30 EHEDMO N#CCc1ccc(C[N@@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000844374761 1137213877 /nfs/dbraw/zinc/21/38/77/1137213877.db2.gz MJCADWSABWDBDQ-FQEVSTJZSA-N 1 1 340.854 3.890 20 30 EHEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171133558 1137234338 /nfs/dbraw/zinc/23/43/38/1137234338.db2.gz NAFWKAJCMQOOFY-ZWKOTPCHSA-N 1 1 348.874 3.574 20 30 EHEDMO O=c1[nH]c2ccccc2cc1C=NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794833678 1137271892 /nfs/dbraw/zinc/27/18/92/1137271892.db2.gz OULZHXOWXLSZEQ-UEIZDATPSA-N 1 1 345.446 3.881 20 30 EHEDMO N#CCc1ccsc1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000865648503 1137301697 /nfs/dbraw/zinc/30/16/97/1137301697.db2.gz CLVGOEWSLYDJKI-QGZVFWFLSA-N 1 1 345.512 3.589 20 30 EHEDMO CC(C)(C)[N@H+]1CC[C@H]1COC(=O)CCCCOc1cccc(C#N)c1 ZINC000845741108 1137308067 /nfs/dbraw/zinc/30/80/67/1137308067.db2.gz RJCUSOUVZMHXMU-KRWDZBQOSA-N 1 1 344.455 3.523 20 30 EHEDMO CCOC(=O)C[N@H+](Cc1ccccc1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171203485 1137321957 /nfs/dbraw/zinc/32/19/57/1137321957.db2.gz NEQGEUPASVEIPE-KRWDZBQOSA-N 1 1 336.435 3.555 20 30 EHEDMO CCOC(=O)C[N@@H+](Cc1ccccc1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171203485 1137321959 /nfs/dbraw/zinc/32/19/59/1137321959.db2.gz NEQGEUPASVEIPE-KRWDZBQOSA-N 1 1 336.435 3.555 20 30 EHEDMO CC(C)c1noc([C@H]2CCC[N@H+]([C@H](C)Cc3cccc(C#N)c3)C2)n1 ZINC001171222917 1137347787 /nfs/dbraw/zinc/34/77/87/1137347787.db2.gz JKCRJKVBYRMWDI-QAPCUYQASA-N 1 1 338.455 3.875 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC001171222039 1137348114 /nfs/dbraw/zinc/34/81/14/1137348114.db2.gz ZWJKFXCPTHOKET-CRAIPNDOSA-N 1 1 328.456 3.685 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC001171222039 1137348116 /nfs/dbraw/zinc/34/81/16/1137348116.db2.gz ZWJKFXCPTHOKET-CRAIPNDOSA-N 1 1 328.456 3.685 20 30 EHEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc(Br)cn1 ZINC000866352257 1137348187 /nfs/dbraw/zinc/34/81/87/1137348187.db2.gz WFPOOCWLOQTDBQ-WDEREUQCSA-N 1 1 346.228 3.833 20 30 EHEDMO CC[C@H]([NH2+]Cc1cccc(C#N)c1F)c1cccc(OC)c1OC ZINC000866351066 1137348223 /nfs/dbraw/zinc/34/82/23/1137348223.db2.gz GTZJQZITVHSHLR-INIZCTEOSA-N 1 1 328.387 3.955 20 30 EHEDMO CC(=O)c1ccc(N2CC[NH+]([C@@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171224971 1137350539 /nfs/dbraw/zinc/35/05/39/1137350539.db2.gz WESXFQIDRXYBIL-KRWDZBQOSA-N 1 1 347.462 3.514 20 30 EHEDMO CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171230640 1137354873 /nfs/dbraw/zinc/35/48/73/1137354873.db2.gz WSTQITUCKNRWGG-INIZCTEOSA-N 1 1 345.487 3.678 20 30 EHEDMO C[C@H]([NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2)c1ccc(C#N)cc1 ZINC000866560044 1137364657 /nfs/dbraw/zinc/36/46/57/1137364657.db2.gz OPVYJCCTLAJMOQ-LBPRGKRZSA-N 1 1 348.372 3.961 20 30 EHEDMO C=CC[N@H+]1CCC[C@H]1CNC(F)(F)c1cnc(Cl)c(Cl)c1 ZINC001160952865 1137390331 /nfs/dbraw/zinc/39/03/31/1137390331.db2.gz GBJKJAFQWRKOBS-NSHDSACASA-N 1 1 336.213 3.678 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(F)(F)c1cnc(Cl)c(Cl)c1 ZINC001160952865 1137390332 /nfs/dbraw/zinc/39/03/32/1137390332.db2.gz GBJKJAFQWRKOBS-NSHDSACASA-N 1 1 336.213 3.678 20 30 EHEDMO CC(C)([NH3+])c1ccccc1NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC001171277491 1137390679 /nfs/dbraw/zinc/39/06/79/1137390679.db2.gz NGGCDDZFVOIARD-UHFFFAOYSA-N 1 1 348.494 3.851 20 30 EHEDMO Fc1cccnc1N=NC1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000794991041 1137398515 /nfs/dbraw/zinc/39/85/15/1137398515.db2.gz VUCPCQQTOCDXRC-SJORKVTESA-N 1 1 338.430 3.921 20 30 EHEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000772989684 1137420921 /nfs/dbraw/zinc/42/09/21/1137420921.db2.gz YWCQUKDJXSZFKA-AWEZNQCLSA-N 1 1 343.398 3.706 20 30 EHEDMO C=CCOc1ccccc1[C@@H](C)Nc1cc(-n2cc[nH+]c2C)ncn1 ZINC001171372671 1137460069 /nfs/dbraw/zinc/46/00/69/1137460069.db2.gz MCZDVZWEPHYCSX-CQSZACIVSA-N 1 1 335.411 3.709 20 30 EHEDMO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000773030302 1137460415 /nfs/dbraw/zinc/46/04/15/1137460415.db2.gz NCUMOPAINGIWPW-GFCCVEGCSA-N 1 1 341.386 3.515 20 30 EHEDMO C#CCCCCC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000773247985 1137481234 /nfs/dbraw/zinc/48/12/34/1137481234.db2.gz QIRRSQFOWWXDDQ-KDURUIRLSA-N 1 1 340.511 3.974 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c(O)c(OC)c1 ZINC000773257342 1137482052 /nfs/dbraw/zinc/48/20/52/1137482052.db2.gz DCSWNVQFHPPHAT-ROUUACIJSA-N 1 1 345.483 3.768 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@@H](C#N)C2)C[C@@H]1C(C)(C)C ZINC001171612197 1137500398 /nfs/dbraw/zinc/50/03/98/1137500398.db2.gz HCHYLCNVEBWTKN-HRCADAONSA-N 1 1 335.492 3.646 20 30 EHEDMO C[C@H]1C[C@H](N2CCc3ccc(C#N)cc3C2)C[N@H+]1Cc1ccccc1 ZINC001171749115 1137508103 /nfs/dbraw/zinc/50/81/03/1137508103.db2.gz HRJRXLIYJMPOLB-JTSKRJEESA-N 1 1 331.463 3.579 20 30 EHEDMO C[C@H]1C[C@@H](N2CCc3cc(C#N)ccc3C2)C[N@H+]1Cc1ccccc1 ZINC001171744122 1137508236 /nfs/dbraw/zinc/50/82/36/1137508236.db2.gz DQHDVCQVWIGBOF-HTAPYJJXSA-N 1 1 331.463 3.579 20 30 EHEDMO C=CC[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC001171847200 1137515839 /nfs/dbraw/zinc/51/58/39/1137515839.db2.gz IUSDCNNDNKRGGD-DYVFJYSZSA-N 1 1 336.838 3.873 20 30 EHEDMO CCOC(=O)[C@]1(F)C[N@H+](CCC2(C#N)CCCCC2)CC12CCC2 ZINC001171905937 1137517853 /nfs/dbraw/zinc/51/78/53/1137517853.db2.gz DLSIOVUGIXUDST-LJQANCHMSA-N 1 1 336.451 3.608 20 30 EHEDMO CCOC(=O)[C@]1(F)C[N@@H+](CCC2(C#N)CCCCC2)CC12CCC2 ZINC001171905937 1137517855 /nfs/dbraw/zinc/51/78/55/1137517855.db2.gz DLSIOVUGIXUDST-LJQANCHMSA-N 1 1 336.451 3.608 20 30 EHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871158057 1137524345 /nfs/dbraw/zinc/52/43/45/1137524345.db2.gz MERWQWDFFSDSTE-UHFFFAOYSA-N 1 1 341.480 3.638 20 30 EHEDMO CC1(C)C[C@H](NCc2ncc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC001171976044 1137525261 /nfs/dbraw/zinc/52/52/61/1137525261.db2.gz OWCNDEQPLCGCHU-MRXNPFEDSA-N 1 1 340.496 3.548 20 30 EHEDMO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CC[C@@H](C#N)C2)CC1 ZINC001172216534 1137541836 /nfs/dbraw/zinc/54/18/36/1137541836.db2.gz VCTOKKBYYZDWSH-STJZUHDESA-N 1 1 346.858 3.539 20 30 EHEDMO COc1ccc(CC[N@@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)cc1OC ZINC001172309155 1137545935 /nfs/dbraw/zinc/54/59/35/1137545935.db2.gz RRQXBRNOJCXSLB-INIZCTEOSA-N 1 1 338.451 3.681 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001172310938 1137546053 /nfs/dbraw/zinc/54/60/53/1137546053.db2.gz LWNLHCGZDRKBDO-KRWDZBQOSA-N 1 1 342.446 3.733 20 30 EHEDMO C[C@H](c1ccccc1)[NH+]1CCN([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172319112 1137546918 /nfs/dbraw/zinc/54/69/18/1137546918.db2.gz LIGWCQJARCMNFK-RBUKOAKNSA-N 1 1 333.479 3.868 20 30 EHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@H](C)CCO[C@H](C)CC)C2 ZINC001172329136 1137550850 /nfs/dbraw/zinc/55/08/50/1137550850.db2.gz FVUMNTRTNQDKOB-QWFCFKBJSA-N 1 1 336.520 3.613 20 30 EHEDMO CCCCCCC[C@H](CC)[N@H+]1[C@H]2COC[C@@H]1C[C@@H](C(=O)OC)C2 ZINC001172356817 1137554272 /nfs/dbraw/zinc/55/42/72/1137554272.db2.gz YKBCYLGEOWBPJH-FJIDUMEYSA-N 1 1 325.493 3.778 20 30 EHEDMO COc1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1Cn1cccn1 ZINC000873137828 1137591083 /nfs/dbraw/zinc/59/10/83/1137591083.db2.gz IJQBETPRSDGRBX-UHFFFAOYSA-N 1 1 338.455 3.504 20 30 EHEDMO CC[N@H+](C)[C@H](C(=O)Nc1cc(C#N)c(F)cc1C)c1ccccc1 ZINC000874901008 1137625718 /nfs/dbraw/zinc/62/57/18/1137625718.db2.gz YMLNPLNFOOBJNF-SFHVURJKSA-N 1 1 325.387 3.637 20 30 EHEDMO CC[N@@H+](C)[C@H](C(=O)Nc1cc(C#N)c(F)cc1C)c1ccccc1 ZINC000874901008 1137625719 /nfs/dbraw/zinc/62/57/19/1137625719.db2.gz YMLNPLNFOOBJNF-SFHVURJKSA-N 1 1 325.387 3.637 20 30 EHEDMO C[C@@]1(C#N)CC[C@H](OC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000875783237 1137638330 /nfs/dbraw/zinc/63/83/30/1137638330.db2.gz ZIXVPKPFLQDEMF-GGPKGHCWSA-N 1 1 326.440 3.524 20 30 EHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000125956285 1137652195 /nfs/dbraw/zinc/65/21/95/1137652195.db2.gz XGPGQKPHAQVKKZ-MRVPVSSYSA-N 1 1 336.304 3.607 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cc(C#N)cnc2Cl)C1 ZINC000876643206 1137658053 /nfs/dbraw/zinc/65/80/53/1137658053.db2.gz AGFRNYVIVKXPBW-HOTGVXAUSA-N 1 1 346.906 3.693 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000877313514 1137674124 /nfs/dbraw/zinc/67/41/24/1137674124.db2.gz WJCTZSQFMBBAGT-LTIDMASMSA-N 1 1 335.492 3.551 20 30 EHEDMO CC(C)([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000877360530 1137674908 /nfs/dbraw/zinc/67/49/08/1137674908.db2.gz MRIFEWNEFOSBBQ-UHFFFAOYSA-N 1 1 330.775 3.540 20 30 EHEDMO C#C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccc(F)cc1 ZINC000877544626 1137680727 /nfs/dbraw/zinc/68/07/27/1137680727.db2.gz SJFJKIXCDWKOTG-FQEVSTJZSA-N 1 1 336.410 3.526 20 30 EHEDMO COc1cccc([C@]2(C)CC[N@H+](Cc3cc(C#N)cnc3Cl)C2)c1 ZINC000877630445 1137683609 /nfs/dbraw/zinc/68/36/09/1137683609.db2.gz GFSPXLXULVXLTB-LJQANCHMSA-N 1 1 341.842 3.779 20 30 EHEDMO COc1cccc([C@]2(C)CC[N@@H+](Cc3cc(C#N)cnc3Cl)C2)c1 ZINC000877630445 1137683610 /nfs/dbraw/zinc/68/36/10/1137683610.db2.gz GFSPXLXULVXLTB-LJQANCHMSA-N 1 1 341.842 3.779 20 30 EHEDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000877795154 1137689895 /nfs/dbraw/zinc/68/98/95/1137689895.db2.gz ARUSMWAHKJQUHJ-AWEZNQCLSA-N 1 1 326.362 3.560 20 30 EHEDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](CC(C)(C)CCC#N)C[C@]2(C)C1 ZINC000877817383 1137691376 /nfs/dbraw/zinc/69/13/76/1137691376.db2.gz UOKWPRLDPHWHGO-HNAYVOBHSA-N 1 1 335.492 3.505 20 30 EHEDMO CCC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)C[C@@H]1CCCCO1 ZINC000878238828 1137708278 /nfs/dbraw/zinc/70/82/78/1137708278.db2.gz FKILOFVZDKBESV-LEWJYISDSA-N 1 1 342.483 3.708 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@@H](C)c1cccc(O)c1)c1ccccc1 ZINC000878243266 1137708432 /nfs/dbraw/zinc/70/84/32/1137708432.db2.gz YDDLEKVLBMLVLM-KKSFZXQISA-N 1 1 336.435 3.826 20 30 EHEDMO OC1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC000878277415 1137709516 /nfs/dbraw/zinc/70/95/16/1137709516.db2.gz OYUVXFHXCLCFHG-CBQGHPETSA-N 1 1 335.422 3.692 20 30 EHEDMO Cc1ccc(NC(=O)C[N@H+](C)CCc2cccc(C#N)c2)c(Cl)c1 ZINC000879433930 1137747630 /nfs/dbraw/zinc/74/76/30/1137747630.db2.gz KDAAXEOYMHTIBI-UHFFFAOYSA-N 1 1 341.842 3.633 20 30 EHEDMO Cc1ccc(NC(=O)C[N@@H+](C)CCc2cccc(C#N)c2)c(Cl)c1 ZINC000879433930 1137747631 /nfs/dbraw/zinc/74/76/31/1137747631.db2.gz KDAAXEOYMHTIBI-UHFFFAOYSA-N 1 1 341.842 3.633 20 30 EHEDMO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879434217 1137747682 /nfs/dbraw/zinc/74/76/82/1137747682.db2.gz GCEGUAHJMXMKCB-HNNXBMFYSA-N 1 1 339.414 3.507 20 30 EHEDMO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879434207 1137747805 /nfs/dbraw/zinc/74/78/05/1137747805.db2.gz FUQXMLROIZGFFU-OAHLLOKOSA-N 1 1 332.407 3.844 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCCC(C)(C)C#N ZINC000879755794 1137758208 /nfs/dbraw/zinc/75/82/08/1137758208.db2.gz WQVCGSKCPOHKEJ-HZPDHXFCSA-N 1 1 335.492 3.790 20 30 EHEDMO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000880306036 1137774188 /nfs/dbraw/zinc/77/41/88/1137774188.db2.gz KDPGILZNQHETIZ-INIZCTEOSA-N 1 1 326.362 3.641 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(CC#N)n2)cc1)C(C)C ZINC000882475711 1137828353 /nfs/dbraw/zinc/82/83/53/1137828353.db2.gz VCHSKQSGUAJWJQ-UHFFFAOYSA-N 1 1 336.439 3.630 20 30 EHEDMO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(SC)o2)ccc1OC ZINC000882996006 1137840879 /nfs/dbraw/zinc/84/08/79/1137840879.db2.gz WGCMXTCLUVVADW-CQSZACIVSA-N 1 1 346.452 3.981 20 30 EHEDMO C=CCC[C@@H](Cc1ccccc1)[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000883191264 1137847844 /nfs/dbraw/zinc/84/78/44/1137847844.db2.gz XYXGZYFYMQFTDG-UNMCSNQZSA-N 1 1 342.527 3.654 20 30 EHEDMO CC[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000331569782 1137913009 /nfs/dbraw/zinc/91/30/09/1137913009.db2.gz ZGTYURRFIQEERX-CYBMUJFWSA-N 1 1 331.485 3.702 20 30 EHEDMO C=CCc1cc(C[NH2+]C(C)(C)c2nc(C)cs2)cc(OC)c1O ZINC000116382291 1137925576 /nfs/dbraw/zinc/92/55/76/1137925576.db2.gz DZOIWQGVSTZPJW-UHFFFAOYSA-N 1 1 332.469 3.919 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000118532582 1137934043 /nfs/dbraw/zinc/93/40/43/1137934043.db2.gz XOCDAOATWAYEEU-APWZRJJASA-N 1 1 349.482 3.817 20 30 EHEDMO C#Cc1cccc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000118798719 1137935259 /nfs/dbraw/zinc/93/52/59/1137935259.db2.gz KLCYEBZIJHUTQM-HKUYNNGSSA-N 1 1 339.483 3.786 20 30 EHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000120498654 1137950196 /nfs/dbraw/zinc/95/01/96/1137950196.db2.gz UNKLJEZLALZJHQ-QAPCUYQASA-N 1 1 342.487 3.682 20 30 EHEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)cc1 ZINC000120882074 1137953231 /nfs/dbraw/zinc/95/32/31/1137953231.db2.gz DTEPEZVRKXIDMB-INIZCTEOSA-N 1 1 340.442 3.750 20 30 EHEDMO COc1ccc(C[N@@H+](C[C@H](O)CC2(C#N)CCC2)C(C)(C)C)cc1 ZINC000886209003 1138059405 /nfs/dbraw/zinc/05/94/05/1138059405.db2.gz CCOCHUNUVMYEJB-QGZVFWFLSA-N 1 1 330.472 3.741 20 30 EHEDMO COc1ccccc1[C@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886310013 1138066356 /nfs/dbraw/zinc/06/63/56/1138066356.db2.gz BBBZDKLBHDHHFK-ROUUACIJSA-N 1 1 342.483 3.710 20 30 EHEDMO C=CCOc1ccc(C[NH2+]Cc2c(OC)cc(OC)cc2OC)cc1 ZINC000069748786 1138090473 /nfs/dbraw/zinc/09/04/73/1138090473.db2.gz LVYGHXNWTAOCGV-UHFFFAOYSA-N 1 1 343.423 3.567 20 30 EHEDMO C[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)[C@@H]1c1ccccc1 ZINC000886542819 1138093265 /nfs/dbraw/zinc/09/32/65/1138093265.db2.gz GOLQKSFBWMSESH-DYVFJYSZSA-N 1 1 325.437 3.641 20 30 EHEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)[C@@H]1c1ccccc1 ZINC000886542819 1138093266 /nfs/dbraw/zinc/09/32/66/1138093266.db2.gz GOLQKSFBWMSESH-DYVFJYSZSA-N 1 1 325.437 3.641 20 30 EHEDMO C=CCCC[C@@H](COc1ccccc1)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000886612447 1138102231 /nfs/dbraw/zinc/10/22/31/1138102231.db2.gz LKEQVJQBRQWHAP-IRXDYDNUSA-N 1 1 325.456 3.661 20 30 EHEDMO C=CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)CC1 ZINC000886757774 1138133311 /nfs/dbraw/zinc/13/33/11/1138133311.db2.gz RBFKLIPAAUMLJP-DLBZAZTESA-N 1 1 344.499 3.930 20 30 EHEDMO N#CCC[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)CC1CC1 ZINC000081063197 1138165828 /nfs/dbraw/zinc/16/58/28/1138165828.db2.gz WSBLKTIMVFAZEA-UHFFFAOYSA-N 1 1 330.819 3.558 20 30 EHEDMO N#CCC[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)CC1CC1 ZINC000081063197 1138165832 /nfs/dbraw/zinc/16/58/32/1138165832.db2.gz WSBLKTIMVFAZEA-UHFFFAOYSA-N 1 1 330.819 3.558 20 30 EHEDMO C=CCN1CCC([NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000091334233 1138218535 /nfs/dbraw/zinc/21/85/35/1138218535.db2.gz WRSBWKLTZSTXDY-CYBMUJFWSA-N 1 1 332.879 3.528 20 30 EHEDMO CN(CCC#N)C(=O)CC[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000092798048 1138232032 /nfs/dbraw/zinc/23/20/32/1138232032.db2.gz XBLMMIALAWNIPR-OAQYLSRUSA-N 1 1 347.462 3.548 20 30 EHEDMO C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C[C@H]1CCOC1 ZINC000093840205 1138241875 /nfs/dbraw/zinc/24/18/75/1138241875.db2.gz YNNJWXCRKGIJOP-HXUWFJFHSA-N 1 1 336.435 3.606 20 30 EHEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)ccc1F ZINC000121981249 1138253088 /nfs/dbraw/zinc/25/30/88/1138253088.db2.gz XYHHDWFJZCZOMS-WBVHZDCISA-N 1 1 330.428 3.847 20 30 EHEDMO CCC[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000126159627 1138325839 /nfs/dbraw/zinc/32/58/39/1138325839.db2.gz HFDZWFMMGRIZMR-HXUWFJFHSA-N 1 1 341.499 3.665 20 30 EHEDMO CCC[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000126159627 1138325841 /nfs/dbraw/zinc/32/58/41/1138325841.db2.gz HFDZWFMMGRIZMR-HXUWFJFHSA-N 1 1 341.499 3.665 20 30 EHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000126605153 1138333908 /nfs/dbraw/zinc/33/39/08/1138333908.db2.gz WOOSOJSTCMBJGY-KBPBESRZSA-N 1 1 349.500 3.745 20 30 EHEDMO CC[N@H+](Cc1ccc(C#N)s1)CC1CCN(c2ccccn2)CC1 ZINC000129249774 1138407470 /nfs/dbraw/zinc/40/74/70/1138407470.db2.gz USHSCNFTADSVGC-UHFFFAOYSA-N 1 1 340.496 3.753 20 30 EHEDMO C=CCOc1cccc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c1 ZINC000131722535 1138537607 /nfs/dbraw/zinc/53/76/07/1138537607.db2.gz ZCYUTFONKZDILZ-HSZRJFAPSA-N 1 1 329.465 3.621 20 30 EHEDMO C=CCOc1cccc(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c1 ZINC000131722535 1138537609 /nfs/dbraw/zinc/53/76/09/1138537609.db2.gz ZCYUTFONKZDILZ-HSZRJFAPSA-N 1 1 329.465 3.621 20 30 EHEDMO C[C@H]1C[C@@H](N(C)C(=O)C2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000132533853 1138587451 /nfs/dbraw/zinc/58/74/51/1138587451.db2.gz XZRZQSWDSIQCIX-HKUYNNGSSA-N 1 1 339.483 3.582 20 30 EHEDMO C[C@@H]1C[C@H](N(C)C(=O)C2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000132533244 1138587635 /nfs/dbraw/zinc/58/76/35/1138587635.db2.gz XZRZQSWDSIQCIX-IEBWSBKVSA-N 1 1 339.483 3.582 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccncc1F ZINC000338361521 1138856663 /nfs/dbraw/zinc/85/66/63/1138856663.db2.gz URKLXSVFMAPPSD-CYBMUJFWSA-N 1 1 345.443 3.788 20 30 EHEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000151395523 1139029613 /nfs/dbraw/zinc/02/96/13/1139029613.db2.gz ZOMWKRFRQNYCHF-PXNSSMCTSA-N 1 1 326.484 3.782 20 30 EHEDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(c1c(C#N)cnc3c(F)ccc(Cl)c31)C2 ZINC000173988931 1139391567 /nfs/dbraw/zinc/39/15/67/1139391567.db2.gz CWEKVRFIDXJOBY-QWHCGFSZSA-N 1 1 344.821 3.572 20 30 EHEDMO CSCC[C@@H](C)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174868653 1139447191 /nfs/dbraw/zinc/44/71/91/1139447191.db2.gz JNPOHBMOHVRHOB-OAHLLOKOSA-N 1 1 343.496 3.811 20 30 EHEDMO C=CCOc1ccccc1C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181654672 1139921914 /nfs/dbraw/zinc/92/19/14/1139921914.db2.gz WLSPQDGCXHPBJO-IAGOWNOFSA-N 1 1 342.483 3.634 20 30 EHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](C)C[C@H](C)c2nccs2)c1C ZINC000183980337 1140071730 /nfs/dbraw/zinc/07/17/30/1140071730.db2.gz QYVWRYXSUFRBHW-ZDUSSCGKSA-N 1 1 331.485 3.666 20 30 EHEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)C[C@H](C)c2nccs2)c1C ZINC000183980337 1140071735 /nfs/dbraw/zinc/07/17/35/1140071735.db2.gz QYVWRYXSUFRBHW-ZDUSSCGKSA-N 1 1 331.485 3.666 20 30 EHEDMO C[C@H]([NH2+]CCOc1ccccc1C#N)c1nc(C2CCCCC2)no1 ZINC000185251429 1140141775 /nfs/dbraw/zinc/14/17/75/1140141775.db2.gz DKFWZXVDOPMEFU-AWEZNQCLSA-N 1 1 340.427 3.719 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186487892 1140206735 /nfs/dbraw/zinc/20/67/35/1140206735.db2.gz CXEDCRKJKCQCKO-AWEZNQCLSA-N 1 1 342.389 3.881 20 30 EHEDMO N#CC1CC[NH+](Cc2ccc(OCc3ccccc3F)nc2)CC1 ZINC000186887800 1140226570 /nfs/dbraw/zinc/22/65/70/1140226570.db2.gz JHFZNTHSLFLMQG-UHFFFAOYSA-N 1 1 325.387 3.535 20 30 EHEDMO COCC[N@H+](Cc1ccc(Br)o1)Cc1ccc(C#N)cc1 ZINC000191244592 1140447151 /nfs/dbraw/zinc/44/71/51/1140447151.db2.gz OXYFDRDSXCUNSA-UHFFFAOYSA-N 1 1 349.228 3.562 20 30 EHEDMO COCC[N@@H+](Cc1ccc(Br)o1)Cc1ccc(C#N)cc1 ZINC000191244592 1140447157 /nfs/dbraw/zinc/44/71/57/1140447157.db2.gz OXYFDRDSXCUNSA-UHFFFAOYSA-N 1 1 349.228 3.562 20 30 EHEDMO C=C(C)CN(CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000267367321 1140783255 /nfs/dbraw/zinc/78/32/55/1140783255.db2.gz JSKARQXKZSJPSD-MJGOQNOKSA-N 1 1 329.488 3.505 20 30 EHEDMO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000269442175 1141108587 /nfs/dbraw/zinc/10/85/87/1141108587.db2.gz SZKCGKVNBZOIFI-CQSZACIVSA-N 1 1 339.414 3.515 20 30 EHEDMO CC[N@@H+](CCOCCC#N)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000339147961 1141510149 /nfs/dbraw/zinc/51/01/49/1141510149.db2.gz IEODDNLLEXXMFC-AWEZNQCLSA-N 1 1 328.378 3.889 20 30 EHEDMO C=CCOCCC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339175782 1141518836 /nfs/dbraw/zinc/51/88/36/1141518836.db2.gz YIYHEMFTMRUORI-OAHLLOKOSA-N 1 1 325.250 3.574 20 30 EHEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339175782 1141518841 /nfs/dbraw/zinc/51/88/41/1141518841.db2.gz YIYHEMFTMRUORI-OAHLLOKOSA-N 1 1 325.250 3.574 20 30 EHEDMO C=CCCCCNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274450902 1141532757 /nfs/dbraw/zinc/53/27/57/1141532757.db2.gz AAMUYXMIAUNTBZ-LJQANCHMSA-N 1 1 329.488 3.506 20 30 EHEDMO N#Cc1csc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000348641455 1141560236 /nfs/dbraw/zinc/56/02/36/1141560236.db2.gz JKKJHKNOYAGULJ-HXUWFJFHSA-N 1 1 337.492 3.718 20 30 EHEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ncc(C[NH+](C)C)s1 ZINC000348875247 1141601667 /nfs/dbraw/zinc/60/16/67/1141601667.db2.gz KQCMNYWNROOYCN-UHFFFAOYSA-N 1 1 347.532 3.560 20 30 EHEDMO C[N@@H+](CCc1ccc(Br)cc1)Cc1ccccc1C#N ZINC000078551129 217073388 /nfs/dbraw/zinc/07/33/88/217073388.db2.gz UXNSZIBWJANLAF-UHFFFAOYSA-N 1 1 329.241 3.995 20 30 EHEDMO Cc1cc(C#N)c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1C ZINC001164624384 719072223 /nfs/dbraw/zinc/07/22/23/719072223.db2.gz LLYFMEKJSAAVAM-TZIWHRDSSA-N 1 1 346.478 3.671 20 30 EHEDMO C=C(C)C[N@@H+](CC)Cc1cc2c(cc1Br)OCCO2 ZINC000061758554 1031041507 /nfs/dbraw/zinc/04/15/07/1031041507.db2.gz FWGQHQDYOFPKRS-UHFFFAOYSA-N 1 1 326.234 3.618 20 30 EHEDMO C=C(C)C[N@H+](CC)Cc1cc2c(cc1Br)OCCO2 ZINC000061758554 1031041526 /nfs/dbraw/zinc/04/15/26/1031041526.db2.gz FWGQHQDYOFPKRS-UHFFFAOYSA-N 1 1 326.234 3.618 20 30 EHEDMO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000579821074 1014998228 /nfs/dbraw/zinc/99/82/28/1014998228.db2.gz GJKWUGCQAYMTMY-SFHVURJKSA-N 1 1 334.423 3.798 20 30 EHEDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000579821074 1014998232 /nfs/dbraw/zinc/99/82/32/1014998232.db2.gz GJKWUGCQAYMTMY-SFHVURJKSA-N 1 1 334.423 3.798 20 30 EHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000157621397 1015136801 /nfs/dbraw/zinc/13/68/01/1015136801.db2.gz SKBKMYYPBZWVRS-MRXNPFEDSA-N 1 1 340.373 3.931 20 30 EHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000157621397 1015136806 /nfs/dbraw/zinc/13/68/06/1015136806.db2.gz SKBKMYYPBZWVRS-MRXNPFEDSA-N 1 1 340.373 3.931 20 30 EHEDMO 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COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000120734831 1021344297 /nfs/dbraw/zinc/34/42/97/1021344297.db2.gz RLUUTAUSWYPFOQ-UHFFFAOYSA-N 1 1 342.464 3.929 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCC2CCCCC2)c(C#N)c1C ZINC000507658786 1021431749 /nfs/dbraw/zinc/43/17/49/1021431749.db2.gz OXMMOTVYKDYGJR-CQSZACIVSA-N 1 1 331.460 3.997 20 30 EHEDMO COCC[C@H](c1ccccc1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000581674190 1021436748 /nfs/dbraw/zinc/43/67/48/1021436748.db2.gz UATGWDYIZJTNIW-OAQYLSRUSA-N 1 1 338.451 3.784 20 30 EHEDMO C=CCC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)OCC ZINC000449656510 1032984305 /nfs/dbraw/zinc/98/43/05/1032984305.db2.gz LFNQWURPJURAKY-IHPCNDPISA-N 1 1 344.499 3.527 20 30 EHEDMO N#Cc1cc(C[NH+]2CCC(Oc3ccc(Cl)cn3)CC2)cs1 ZINC000894872242 1021552897 /nfs/dbraw/zinc/55/28/97/1021552897.db2.gz QHNNLVSSNHJNPP-UHFFFAOYSA-N 1 1 333.844 3.712 20 30 EHEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000134633693 1021808714 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ZINC000437575539 1021962184 /nfs/dbraw/zinc/96/21/84/1021962184.db2.gz GLJYGACXGSSOIY-UHFFFAOYSA-N 1 1 332.806 3.999 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)cc1F ZINC000437575539 1021962194 /nfs/dbraw/zinc/96/21/94/1021962194.db2.gz GLJYGACXGSSOIY-UHFFFAOYSA-N 1 1 332.806 3.999 20 30 EHEDMO NC(CCCc1ccccc1)=[NH+]OCc1cc(-c2ccco2)on1 ZINC000141244489 1022027724 /nfs/dbraw/zinc/02/77/24/1022027724.db2.gz SBUCNUMOXDIETJ-UHFFFAOYSA-N 1 1 325.368 3.746 20 30 EHEDMO C=C(C)C[N@@H+](CC)Cc1csc(-c2cccc(C(=O)OC)c2)n1 ZINC000441186787 1022043350 /nfs/dbraw/zinc/04/33/50/1022043350.db2.gz DYDARHVTJVJNDG-UHFFFAOYSA-N 1 1 330.453 3.995 20 30 EHEDMO C=C(C)C[N@H+](CC)Cc1csc(-c2cccc(C(=O)OC)c2)n1 ZINC000441186787 1022043368 /nfs/dbraw/zinc/04/33/68/1022043368.db2.gz DYDARHVTJVJNDG-UHFFFAOYSA-N 1 1 330.453 3.995 20 30 EHEDMO C=CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])Cc1cccs1 ZINC000441247210 1022087915 /nfs/dbraw/zinc/08/79/15/1022087915.db2.gz JNITWCUNPKOBGA-UHFFFAOYSA-N 1 1 348.424 3.732 20 30 EHEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CCCCCC#N)C2)s1 ZINC000593689311 1033024167 /nfs/dbraw/zinc/02/41/67/1033024167.db2.gz ZUPFXSJJMGVZQE-QGZVFWFLSA-N 1 1 347.528 3.811 20 30 EHEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000441358916 1022174549 /nfs/dbraw/zinc/17/45/49/1022174549.db2.gz OYGKXADPISKISE-LJQANCHMSA-N 1 1 341.499 3.591 20 30 EHEDMO CC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC1CC1 ZINC000112983053 1022369365 /nfs/dbraw/zinc/36/93/65/1022369365.db2.gz IFKCARDBNGKGGX-CQSZACIVSA-N 1 1 331.485 3.609 20 30 EHEDMO C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000328780745 1022498281 /nfs/dbraw/zinc/49/82/81/1022498281.db2.gz HDPOQAMHPDTKJJ-USXIJHARSA-N 1 1 335.492 3.885 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086233061 1022503037 /nfs/dbraw/zinc/50/30/37/1022503037.db2.gz WSODQKYONSPYJR-AWEZNQCLSA-N 1 1 326.396 3.764 20 30 EHEDMO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CC[C@H](C#N)C1 ZINC000330434279 1022577559 /nfs/dbraw/zinc/57/75/59/1022577559.db2.gz PRGFNHRZRWKMFX-WDEREUQCSA-N 1 1 326.227 3.556 20 30 EHEDMO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CC[C@H](C#N)C1 ZINC000330434279 1022577572 /nfs/dbraw/zinc/57/75/72/1022577572.db2.gz PRGFNHRZRWKMFX-WDEREUQCSA-N 1 1 326.227 3.556 20 30 EHEDMO N#Cc1ccc(CN2CCC[N@@H+](C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000506248056 1022704592 /nfs/dbraw/zinc/70/45/92/1022704592.db2.gz MSLBDHNAPVYRKX-DHIUTWEWSA-N 1 1 345.490 3.870 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000330904708 1022707561 /nfs/dbraw/zinc/70/75/61/1022707561.db2.gz ZBDDOVITYYWGLD-QLFBSQMISA-N 1 1 346.500 3.508 20 30 EHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894748182 1022832169 /nfs/dbraw/zinc/83/21/69/1022832169.db2.gz IRSAYTDMCHUCOY-UHFFFAOYSA-N 1 1 339.443 3.624 20 30 EHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894748182 1022832185 /nfs/dbraw/zinc/83/21/85/1022832185.db2.gz IRSAYTDMCHUCOY-UHFFFAOYSA-N 1 1 339.443 3.624 20 30 EHEDMO COc1cccc(C2=CC[N@@H+](CCOc3cccc(C#N)c3)CC2)c1 ZINC000476268086 1033087014 /nfs/dbraw/zinc/08/70/14/1033087014.db2.gz DCLMRABCEHSEEO-UHFFFAOYSA-N 1 1 334.419 3.735 20 30 EHEDMO C=CC(C)(C)CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000458989289 1023009341 /nfs/dbraw/zinc/00/93/41/1023009341.db2.gz PDWYUZFPPIUXGJ-QGZVFWFLSA-N 1 1 335.536 3.885 20 30 EHEDMO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C)(C(C)C)CC2)c(C#N)c1C ZINC000426778445 1023039104 /nfs/dbraw/zinc/03/91/04/1023039104.db2.gz XSDPDUMIHGWWOQ-CQSZACIVSA-N 1 1 331.460 3.853 20 30 EHEDMO C[C@H]1C[C@H](N(C)C(=O)CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000593980284 1033112261 /nfs/dbraw/zinc/11/22/61/1033112261.db2.gz PMYGWLKSMRPTJP-PKOBYXMFSA-N 1 1 327.472 3.582 20 30 EHEDMO CCS[C@@H]1CCCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075739107 1033112856 /nfs/dbraw/zinc/11/28/56/1033112856.db2.gz CDYAPWYPALJDEH-MRXNPFEDSA-N 1 1 342.468 3.716 20 30 EHEDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3cnccc3C#N)c2C1 ZINC000341941075 1023710378 /nfs/dbraw/zinc/71/03/78/1023710378.db2.gz KLOPIVWOZJHNGJ-UHFFFAOYSA-N 1 1 334.423 3.567 20 30 EHEDMO N#CCC1(C[N@@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)CC1 ZINC000602789461 1033161666 /nfs/dbraw/zinc/16/16/66/1033161666.db2.gz ZMRBUIOUAOQCBD-HNNXBMFYSA-N 1 1 340.402 3.749 20 30 EHEDMO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000610877420 1023819037 /nfs/dbraw/zinc/81/90/37/1023819037.db2.gz UNYAXOVOUYZMBY-UHFFFAOYSA-N 1 1 348.878 3.796 20 30 EHEDMO COc1ccc(C#N)cc1CN1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000610966979 1023913939 /nfs/dbraw/zinc/91/39/39/1023913939.db2.gz JQMPRTFWNANJDH-SFHVURJKSA-N 1 1 349.478 3.663 20 30 EHEDMO C=CC[C@H](C)NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000342096764 1023940116 /nfs/dbraw/zinc/94/01/16/1023940116.db2.gz CQTCKISWCFLWAZ-DLBZAZTESA-N 1 1 329.488 3.825 20 30 EHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1ccnc(C#N)c1 ZINC000610992185 1023989837 /nfs/dbraw/zinc/98/98/37/1023989837.db2.gz JNPSIJDOEYHTNN-UHFFFAOYSA-N 1 1 332.407 3.673 20 30 EHEDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@]3(C)CCCOC3)c2)C[C@@H](C)O1 ZINC000329713729 1024128213 /nfs/dbraw/zinc/12/82/13/1024128213.db2.gz RXKFATKAYKXSFU-QINHECLXSA-N 1 1 346.471 3.701 20 30 EHEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC000329772467 1024190079 /nfs/dbraw/zinc/19/00/79/1024190079.db2.gz HLWVGWFVYZVPEK-MWDXBVQZSA-N 1 1 332.492 3.821 20 30 EHEDMO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000434621619 1024191691 /nfs/dbraw/zinc/19/16/91/1024191691.db2.gz VEGHLVHLEGSHGQ-FQEVSTJZSA-N 1 1 339.414 3.965 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000329866256 1024226602 /nfs/dbraw/zinc/22/66/02/1024226602.db2.gz UUSNXLWMQPFDBT-IIYDPXPESA-N 1 1 342.443 3.875 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000329866256 1024226615 /nfs/dbraw/zinc/22/66/15/1024226615.db2.gz UUSNXLWMQPFDBT-IIYDPXPESA-N 1 1 342.443 3.875 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000329866256 1024226630 /nfs/dbraw/zinc/22/66/30/1024226630.db2.gz UUSNXLWMQPFDBT-IIYDPXPESA-N 1 1 342.443 3.875 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc2c(c1)sc(=O)n2C ZINC000474108025 1024227656 /nfs/dbraw/zinc/22/76/56/1024227656.db2.gz TYEMDZGZWJVMSW-UHFFFAOYSA-N 1 1 330.478 3.850 20 30 EHEDMO Cc1c2ccccc2oc1[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000330116977 1024325132 /nfs/dbraw/zinc/32/51/32/1024325132.db2.gz WGNQWDTWQODJKE-ZIAGYGMSSA-N 1 1 327.428 3.543 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cc(C)cc(F)c1)CC2 ZINC001143587223 1024353213 /nfs/dbraw/zinc/35/32/13/1024353213.db2.gz GWGLDJXKIRSHEW-FQEVSTJZSA-N 1 1 330.447 3.667 20 30 EHEDMO C=CCC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000505515641 1024416011 /nfs/dbraw/zinc/41/60/11/1024416011.db2.gz OEBDLAVDMXWXTE-FPOVZHCZSA-N 1 1 326.484 3.681 20 30 EHEDMO C[C@@H]1C[N@H+](CCCOc2ccc3ccccc3c2)C[C@H](C)N1CC#N ZINC000602856074 1033211790 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CC(C)c1nc(CC2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)n[nH]1 ZINC000602866915 1033239377 /nfs/dbraw/zinc/23/93/77/1033239377.db2.gz UVPCMQJQKQLOKH-HNNXBMFYSA-N 1 1 337.471 3.815 20 30 EHEDMO Cc1ccc(C[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)cc1C#N ZINC000602883641 1033234751 /nfs/dbraw/zinc/23/47/51/1033234751.db2.gz QBUMBPHJNVGPIB-GOSISDBHSA-N 1 1 328.419 3.799 20 30 EHEDMO N#Cc1ccc(C2CC[NH+](Cc3nc4cc(F)ccc4o3)CC2)nc1 ZINC000602910413 1033242128 /nfs/dbraw/zinc/24/21/28/1033242128.db2.gz QYVGUNXIOVGCFX-UHFFFAOYSA-N 1 1 336.370 3.613 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000548631253 1024894030 /nfs/dbraw/zinc/89/40/30/1024894030.db2.gz NSDIDLVLOJIDDM-VBQJREDUSA-N 1 1 345.874 3.689 20 30 EHEDMO N#Cc1cccc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)c1F ZINC000602893190 1033246569 /nfs/dbraw/zinc/24/65/69/1033246569.db2.gz BSFUSERCYDKRFX-UHFFFAOYSA-N 1 1 334.398 3.646 20 30 EHEDMO CC(C)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000346604429 1024943749 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/nfs/dbraw/zinc/27/59/40/1033275940.db2.gz FEGOGQHWBJIDOH-DLBZAZTESA-N 1 1 349.478 3.818 20 30 EHEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC2(CCSCC2)CC1 ZINC000602948566 1033276817 /nfs/dbraw/zinc/27/68/17/1033276817.db2.gz AHIPJMWDWWYNBM-UHFFFAOYSA-N 1 1 331.441 3.576 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCCC[C@H]2Cc2ccccc2)c1 ZINC000444092665 1025493423 /nfs/dbraw/zinc/49/34/23/1025493423.db2.gz FQKSCAWJOLKTFO-NRFANRHFSA-N 1 1 347.462 3.984 20 30 EHEDMO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000451413105 1025525688 /nfs/dbraw/zinc/52/56/88/1025525688.db2.gz YCZKZEKKZJKDTM-OCCSQVGLSA-N 1 1 339.361 3.550 20 30 EHEDMO C[N@@H+](CCCNC(=O)Nc1cccc(CC#N)c1)C1CCCCC1 ZINC000455945603 1033291400 /nfs/dbraw/zinc/29/14/00/1033291400.db2.gz LLKOTNFTUWKPCG-UHFFFAOYSA-N 1 1 328.460 3.529 20 30 EHEDMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)CC1 ZINC000329031323 1025573596 /nfs/dbraw/zinc/57/35/96/1025573596.db2.gz XFLHALHLUBNAJE-BHYGNILZSA-N 1 1 335.492 3.600 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000425532446 1025659568 /nfs/dbraw/zinc/65/95/68/1025659568.db2.gz BSPHURISBCWZBB-KSSFIOAISA-N 1 1 344.842 3.644 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000425529468 1025666040 /nfs/dbraw/zinc/66/60/40/1025666040.db2.gz BVSYGQWVMKFAON-AWEZNQCLSA-N 1 1 325.368 3.538 20 30 EHEDMO CC[N@@H+](CCOc1ccccc1C#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC000521809254 1025683907 /nfs/dbraw/zinc/68/39/07/1025683907.db2.gz ZXODWBHVHMJTIV-KRWDZBQOSA-N 1 1 338.451 3.899 20 30 EHEDMO CCC[N@@H+](CCC(=O)NCC1CCCCC1)Cc1ccc(C#N)cc1 ZINC000521810730 1025686131 /nfs/dbraw/zinc/68/61/31/1025686131.db2.gz AJPOMCSNRFWUKS-UHFFFAOYSA-N 1 1 341.499 3.857 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)NCCC1=CCCCC1 ZINC000425542151 1025698451 /nfs/dbraw/zinc/69/84/51/1025698451.db2.gz QEQITJXYMYZEMI-MRXNPFEDSA-N 1 1 325.456 3.558 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NCCC1=CCCCC1 ZINC000425542151 1025698461 /nfs/dbraw/zinc/69/84/61/1025698461.db2.gz QEQITJXYMYZEMI-MRXNPFEDSA-N 1 1 325.456 3.558 20 30 EHEDMO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)CCCCC1 ZINC000505818878 1025722275 /nfs/dbraw/zinc/72/22/75/1025722275.db2.gz KWLIBAMCYVMZOK-TZZQJPOUSA-N 1 1 337.467 3.507 20 30 EHEDMO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)CCCCC1 ZINC000505818878 1025722286 /nfs/dbraw/zinc/72/22/86/1025722286.db2.gz KWLIBAMCYVMZOK-TZZQJPOUSA-N 1 1 337.467 3.507 20 30 EHEDMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000178554163 1025749096 /nfs/dbraw/zinc/74/90/96/1025749096.db2.gz OLCFCLVLYLBJPA-UHFFFAOYSA-N 1 1 342.487 3.843 20 30 EHEDMO Cc1nc(NC(=O)[C@H](C)[N@H+]2CCC3(CCOCC3)[C@@H]2C)sc1C ZINC000329469372 1025886154 /nfs/dbraw/zinc/88/61/54/1025886154.db2.gz XMBTUBXOBNEJOP-JSGCOSHPSA-N 1 1 337.489 3.627 20 30 EHEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000185791232 1025891625 /nfs/dbraw/zinc/89/16/25/1025891625.db2.gz BDFBMAIMDAEVEO-QGZVFWFLSA-N 1 1 339.464 3.785 20 30 EHEDMO Cc1cc(C)nc(NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000329602425 1026059934 /nfs/dbraw/zinc/05/99/34/1026059934.db2.gz FVCLLCZXSMPXMI-SJLPKXTDSA-N 1 1 338.455 3.860 20 30 EHEDMO C=CCCc1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1 ZINC000545066656 1026089543 /nfs/dbraw/zinc/08/95/43/1026089543.db2.gz UPCQVXFOLDUJOH-UHFFFAOYSA-N 1 1 346.862 3.651 20 30 EHEDMO CC[C@@H]1C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC(=O)N1 ZINC000329621990 1026095322 /nfs/dbraw/zinc/09/53/22/1026095322.db2.gz UNRNJNNPBBMHNS-KSZLIROESA-N 1 1 343.471 3.753 20 30 EHEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000451733168 1026237524 /nfs/dbraw/zinc/23/75/24/1026237524.db2.gz HYRNMINJUBIFPN-QGZVFWFLSA-N 1 1 333.863 3.629 20 30 EHEDMO C[C@@H](CCC#N)C[N@@H+]1CCc2cc(Br)c(F)cc2C1 ZINC000897029417 1026240308 /nfs/dbraw/zinc/24/03/08/1026240308.db2.gz WRRBSGUDGLQMIK-NSHDSACASA-N 1 1 325.225 3.886 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1CCc2cc(Br)c(F)cc2C1 ZINC000897029417 1026240322 /nfs/dbraw/zinc/24/03/22/1026240322.db2.gz WRRBSGUDGLQMIK-NSHDSACASA-N 1 1 325.225 3.886 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000186251030 1026348511 /nfs/dbraw/zinc/34/85/11/1026348511.db2.gz LQOHZIYXZUAENK-IBGZPJMESA-N 1 1 347.462 3.509 20 30 EHEDMO N#Cc1c(F)cccc1C[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000452058817 1026469524 /nfs/dbraw/zinc/46/95/24/1026469524.db2.gz JHDLGPGHAWUGPH-KRWDZBQOSA-N 1 1 330.428 3.752 20 30 EHEDMO C=C(C)[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000187763472 1026502491 /nfs/dbraw/zinc/50/24/91/1026502491.db2.gz LUMMXAGROMDAFK-HXUWFJFHSA-N 1 1 344.405 3.830 20 30 EHEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCCCC[C@@H]2c2ccco2)cc1 ZINC000121275159 1026590248 /nfs/dbraw/zinc/59/02/48/1026590248.db2.gz JTTRZUTVDOQZAS-PKOBYXMFSA-N 1 1 340.423 3.508 20 30 EHEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCCCC#N)c1 ZINC000171500237 1026595226 /nfs/dbraw/zinc/59/52/26/1026595226.db2.gz OERJSMOVVYANKK-UHFFFAOYSA-N 1 1 335.451 3.742 20 30 EHEDMO C[C@H](Nc1cc(Br)c(C#N)cc1F)C1=CC[N@@H+](C)CC1 ZINC000563425617 1026869868 /nfs/dbraw/zinc/86/98/68/1026869868.db2.gz PCYAGUGCONEOIC-JTQLQIEISA-N 1 1 338.224 3.522 20 30 EHEDMO Cc1cc[nH+]c(N2CCN(c3ccc(C(F)(F)F)cc3C#N)CC2)c1 ZINC000153000263 1026911525 /nfs/dbraw/zinc/91/15/25/1026911525.db2.gz OUYKZXHFKUQVNN-UHFFFAOYSA-N 1 1 346.356 3.607 20 30 EHEDMO C=CC1CCN(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000123367364 1027191127 /nfs/dbraw/zinc/19/11/27/1027191127.db2.gz URABGCQIMSOEAR-OAHLLOKOSA-N 1 1 338.455 3.849 20 30 EHEDMO Cc1csc(C[C@@H]2CC[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)n1 ZINC000897299186 1027404892 /nfs/dbraw/zinc/40/48/92/1027404892.db2.gz WMSZXSFWTNHDCL-RDJZCZTQSA-N 1 1 341.480 3.807 20 30 EHEDMO COCC1(C#N)CC[NH+](Cc2cc(C)c(C)cc2OC(F)F)CC1 ZINC000342836344 1027551446 /nfs/dbraw/zinc/55/14/46/1027551446.db2.gz JIKBWFDCGUSWJU-UHFFFAOYSA-N 1 1 338.398 3.657 20 30 EHEDMO N#Cc1cccc(OCC[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000533357253 1027727228 /nfs/dbraw/zinc/72/72/28/1027727228.db2.gz CINKGJJTFALBNM-QFIPXVFZSA-N 1 1 343.430 3.844 20 30 EHEDMO N#Cc1cccc(OCC[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000533357253 1027727248 /nfs/dbraw/zinc/72/72/48/1027727248.db2.gz CINKGJJTFALBNM-QFIPXVFZSA-N 1 1 343.430 3.844 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cccc(CN2CCOCC2)c1 ZINC000420904352 1027845364 /nfs/dbraw/zinc/84/53/64/1027845364.db2.gz PGWVMEOOLPXMLR-UHFFFAOYSA-N 1 1 342.508 3.769 20 30 EHEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420944205 1027901896 /nfs/dbraw/zinc/90/18/96/1027901896.db2.gz IYLCBZYJIJYMND-CYBMUJFWSA-N 1 1 339.361 3.551 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420949594 1027912512 /nfs/dbraw/zinc/91/25/12/1027912512.db2.gz OVFJORBEJQPUTH-AWEZNQCLSA-N 1 1 342.361 3.610 20 30 EHEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420943007 1027940196 /nfs/dbraw/zinc/94/01/96/1027940196.db2.gz HSXLPIFECZBKOS-NSHDSACASA-N 1 1 345.390 3.613 20 30 EHEDMO C=C(C)CCNC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455312662 1027992350 /nfs/dbraw/zinc/99/23/50/1027992350.db2.gz PIQXWNSOLWTXRZ-LJQANCHMSA-N 1 1 329.488 3.506 20 30 EHEDMO C=CCCC[N@H+]1CCOC[C@H]1c1c(C)nn(-c2ccccc2F)c1C ZINC000502300945 1028078289 /nfs/dbraw/zinc/07/82/89/1028078289.db2.gz LJDQCMPTKNQWOK-IBGZPJMESA-N 1 1 343.446 3.968 20 30 EHEDMO C=CCCC[N@@H+]1CCOC[C@H]1c1c(C)nn(-c2ccccc2F)c1C ZINC000502300945 1028078306 /nfs/dbraw/zinc/07/83/06/1028078306.db2.gz LJDQCMPTKNQWOK-IBGZPJMESA-N 1 1 343.446 3.968 20 30 EHEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C[C@@H]1CCC[C@H]1O ZINC000444656092 1028117615 /nfs/dbraw/zinc/11/76/15/1028117615.db2.gz CJMWUGXARPDDCU-SIKLNZKXSA-N 1 1 348.490 3.979 20 30 EHEDMO CN(CC[N@@H+](C)C1CC1)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444677557 1028148361 /nfs/dbraw/zinc/14/83/61/1028148361.db2.gz WMOJNLYLWNLPJN-UHFFFAOYSA-N 1 1 347.506 3.912 20 30 EHEDMO CCOC(=O)C1(CC)CC[NH+](Cc2cc(C#N)ccc2Cl)CC1 ZINC001140604177 1028188282 /nfs/dbraw/zinc/18/82/82/1028188282.db2.gz SWCDFELMCMBFLV-UHFFFAOYSA-N 1 1 334.847 3.767 20 30 EHEDMO CC(C)[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000444766006 1028250287 /nfs/dbraw/zinc/25/02/87/1028250287.db2.gz GFBUOZYTUNNUND-ROUUACIJSA-N 1 1 327.472 3.690 20 30 EHEDMO C=CC[C@@H]1[N@H+](CC(=O)N2CCc3sccc3C2)CCCC1(C)C ZINC000444774275 1028261725 /nfs/dbraw/zinc/26/17/25/1028261725.db2.gz IFZSPQJHZJNVTD-KRWDZBQOSA-N 1 1 332.513 3.700 20 30 EHEDMO CC(C)[N@H+](C)Cc1ccccc1CNCc1ccc(C#N)c(F)c1 ZINC000421338834 1028281214 /nfs/dbraw/zinc/28/12/14/1028281214.db2.gz DSDDPHSGJVQTLO-UHFFFAOYSA-N 1 1 325.431 3.827 20 30 EHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccc(C#N)c(F)c1 ZINC000421338834 1028281227 /nfs/dbraw/zinc/28/12/27/1028281227.db2.gz DSDDPHSGJVQTLO-UHFFFAOYSA-N 1 1 325.431 3.827 20 30 EHEDMO C=C(CC)CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000455520910 1028321761 /nfs/dbraw/zinc/32/17/61/1028321761.db2.gz JVMNXARPASGUPQ-OAQYLSRUSA-N 1 1 341.499 3.650 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CCO)CC2)c(C(F)(F)F)c1 ZINC000421404922 1028391108 /nfs/dbraw/zinc/39/11/08/1028391108.db2.gz ZPWPOTVTNNDYMU-ZDUSSCGKSA-N 1 1 326.362 3.562 20 30 EHEDMO C=CCc1cc(C[NH2+]Cc2ccc3nc[nH]c3c2)cc(OC)c1OC ZINC000729683231 1028419730 /nfs/dbraw/zinc/41/97/30/1028419730.db2.gz HZZNYDSJRMNMHK-UHFFFAOYSA-N 1 1 337.423 3.598 20 30 EHEDMO C=CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193831724 1028470426 /nfs/dbraw/zinc/47/04/26/1028470426.db2.gz RKIMXIVWZHQUCY-IFMALSPDSA-N 1 1 348.490 3.985 20 30 EHEDMO C=CCOc1c(Cl)cc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)cc1OC ZINC000628189840 1028501535 /nfs/dbraw/zinc/50/15/35/1028501535.db2.gz OFAVDPFUJFOZIK-GOEBONIOSA-N 1 1 339.863 3.506 20 30 EHEDMO C=CC[N@@H+](C)Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000428388040 1028518200 /nfs/dbraw/zinc/51/82/00/1028518200.db2.gz LPKDITWYQRNBPF-UHFFFAOYSA-N 1 1 342.395 3.800 20 30 EHEDMO C=CC[N@H+](C)Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000428388040 1028518204 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20 30 EHEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(SCC#N)c2)C1 ZINC000079536295 1028819530 /nfs/dbraw/zinc/81/95/30/1028819530.db2.gz CJDFNTFHCWNHST-HNNXBMFYSA-N 1 1 345.512 3.543 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)cc(OC)c1O ZINC000428406767 1028852287 /nfs/dbraw/zinc/85/22/87/1028852287.db2.gz VWTNPHMWFOWDSN-GOSISDBHSA-N 1 1 331.456 3.520 20 30 EHEDMO C=CCn1cc(C[NH2+]Cc2cccc(OCC3CCCCC3)c2)nn1 ZINC000424170114 1028868132 /nfs/dbraw/zinc/86/81/32/1028868132.db2.gz JFGZTOFFGJYKGG-UHFFFAOYSA-N 1 1 340.471 3.713 20 30 EHEDMO CC(=O)c1ccc(C#N)cc1N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000324216286 1028883966 /nfs/dbraw/zinc/88/39/66/1028883966.db2.gz YGWHYKXFWKBCHA-QGZVFWFLSA-N 1 1 347.462 3.719 20 30 EHEDMO C=CCn1cc(C[NH2+][C@@H]2C[C@@H](C)c3c2cccc3Br)nn1 ZINC000424290982 1028932965 /nfs/dbraw/zinc/93/29/65/1028932965.db2.gz CXXIQEQSUYBEJU-IAQYHMDHSA-N 1 1 347.260 3.565 20 30 EHEDMO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(OC(C)C)c(Cl)c2)nn1 ZINC000424300622 1028942375 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N#Cc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)cc1F ZINC000192114950 1029590539 /nfs/dbraw/zinc/59/05/39/1029590539.db2.gz XKTBEUQQODILRJ-OAHLLOKOSA-N 1 1 328.412 3.996 20 30 EHEDMO CC[C@H](O)C[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccccc1 ZINC000441055580 1029721352 /nfs/dbraw/zinc/72/13/52/1029721352.db2.gz CMVFDVXBTFZFCJ-IBGZPJMESA-N 1 1 333.435 3.584 20 30 EHEDMO CC[C@H](O)C[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccccc1 ZINC000441055580 1029721361 /nfs/dbraw/zinc/72/13/61/1029721361.db2.gz CMVFDVXBTFZFCJ-IBGZPJMESA-N 1 1 333.435 3.584 20 30 EHEDMO C[C@@H]1CCSCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000429759120 1029768794 /nfs/dbraw/zinc/76/87/94/1029768794.db2.gz KPKWTOLNPOTUHN-LLVKDONJSA-N 1 1 325.275 3.648 20 30 EHEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000455657444 1029806347 /nfs/dbraw/zinc/80/63/47/1029806347.db2.gz LUXMNXROFWLUEE-UHFFFAOYSA-N 1 1 347.422 3.959 20 30 EHEDMO CC1(C)CCC[N@@H+](CCNC(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455740818 1029872524 /nfs/dbraw/zinc/87/25/24/1029872524.db2.gz YRKYLQQACQBESU-UHFFFAOYSA-N 1 1 348.878 3.650 20 30 EHEDMO C[C@@H]1[C@H](Nc2cc(C#N)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000385160485 1030000592 /nfs/dbraw/zinc/00/05/92/1030000592.db2.gz GSZOVKMZPWZNEB-RHSMWYFYSA-N 1 1 336.395 3.541 20 30 EHEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](c1ccccc1)c1cccc(F)c1 ZINC000447338178 1030107620 /nfs/dbraw/zinc/10/76/20/1030107620.db2.gz AAVLJPPLHIFMCL-NRFANRHFSA-N 1 1 340.442 3.929 20 30 EHEDMO C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CC#Cc1ccccc1 ZINC000447401449 1030169331 /nfs/dbraw/zinc/16/93/31/1030169331.db2.gz YQDWRISKJRYPOJ-LJQANCHMSA-N 1 1 341.458 3.797 20 30 EHEDMO C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1CC#Cc1ccccc1 ZINC000447401449 1030169334 /nfs/dbraw/zinc/16/93/34/1030169334.db2.gz YQDWRISKJRYPOJ-LJQANCHMSA-N 1 1 341.458 3.797 20 30 EHEDMO CC(C)[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000525886534 1030205641 /nfs/dbraw/zinc/20/56/41/1030205641.db2.gz NOXVQVIPNRZNCK-QGZVFWFLSA-N 1 1 333.863 3.531 20 30 EHEDMO CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000525886534 1030205657 /nfs/dbraw/zinc/20/56/57/1030205657.db2.gz NOXVQVIPNRZNCK-QGZVFWFLSA-N 1 1 333.863 3.531 20 30 EHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000091857348 1030319252 /nfs/dbraw/zinc/31/92/52/1030319252.db2.gz XVACUCGAQOGMDY-AWEZNQCLSA-N 1 1 348.878 3.715 20 30 EHEDMO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000453449133 1030320982 /nfs/dbraw/zinc/32/09/82/1030320982.db2.gz DYIRYTROKYTEMX-BRSBDYLESA-N 1 1 345.535 3.534 20 30 EHEDMO C=CCC[C@@H](NC(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000246392294 1030489460 /nfs/dbraw/zinc/48/94/60/1030489460.db2.gz PLHXUYVRPGPTPY-IEBWSBKVSA-N 1 1 329.488 3.677 20 30 EHEDMO Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2CCC(=O)N(C)CCC#N)cc1 ZINC000092797493 1030524972 /nfs/dbraw/zinc/52/49/72/1030524972.db2.gz GYUKKUZILSQYCV-XLIONFOSSA-N 1 1 327.472 3.530 20 30 EHEDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)n1 ZINC000249130255 1030528438 /nfs/dbraw/zinc/52/84/38/1030528438.db2.gz DPQILNSEDOTTCZ-VQIMIIECSA-N 1 1 348.450 3.673 20 30 EHEDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000482563142 1030538181 /nfs/dbraw/zinc/53/81/81/1030538181.db2.gz HAPHLTSHZVRXEX-FQEVSTJZSA-N 1 1 334.398 3.509 20 30 EHEDMO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(CC#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000160129109 1030555523 /nfs/dbraw/zinc/55/55/23/1030555523.db2.gz SFFKOYSUGAMJPP-OXQOHEQNSA-N 1 1 348.450 3.537 20 30 EHEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000160196650 1030586271 /nfs/dbraw/zinc/58/62/71/1030586271.db2.gz ZZPQLUBQBVHGSC-HNNXBMFYSA-N 1 1 328.437 3.507 20 30 EHEDMO C=CCOc1ccccc1C[NH+]1CCN([C@H](C)c2cccnc2)CC1 ZINC000093413334 1030609180 /nfs/dbraw/zinc/60/91/80/1030609180.db2.gz LEAIZXCEWPMGLK-GOSISDBHSA-N 1 1 337.467 3.525 20 30 EHEDMO C=CCOc1ccccc1CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000093413334 1030609192 /nfs/dbraw/zinc/60/91/92/1030609192.db2.gz LEAIZXCEWPMGLK-GOSISDBHSA-N 1 1 337.467 3.525 20 30 EHEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C[C@@H](C)C1 ZINC000246701580 1030650764 /nfs/dbraw/zinc/65/07/64/1030650764.db2.gz MXQPVEBGVIHAEK-CABCVRRESA-N 1 1 331.485 3.609 20 30 EHEDMO C=CCCCNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000448044752 1030689665 /nfs/dbraw/zinc/68/96/65/1030689665.db2.gz WWLIUTPAXWKGND-UHFFFAOYSA-N 1 1 335.879 3.524 20 30 EHEDMO C=CCCCNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000448044752 1030689674 /nfs/dbraw/zinc/68/96/74/1030689674.db2.gz WWLIUTPAXWKGND-UHFFFAOYSA-N 1 1 335.879 3.524 20 30 EHEDMO CC(C)[C@@H](CNC(=O)C[N@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000052580312 1030731748 /nfs/dbraw/zinc/73/17/48/1030731748.db2.gz CZGJFVZHNFLQDM-OAQYLSRUSA-N 1 1 349.478 3.546 20 30 EHEDMO CC(C)[C@@H](CNC(=O)C[N@@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000052580312 1030731766 /nfs/dbraw/zinc/73/17/66/1030731766.db2.gz CZGJFVZHNFLQDM-OAQYLSRUSA-N 1 1 349.478 3.546 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cc(F)ccc2C#N)C1 ZINC000160410160 1030734684 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C[C@@H]1CN(c2nc(Cl)c(C#N)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000324075614 1036109911 /nfs/dbraw/zinc/10/99/11/1036109911.db2.gz YPBWHJLYAGEWNA-ZDUSSCGKSA-N 1 1 346.887 3.626 20 30 EHEDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180197585 1036169627 /nfs/dbraw/zinc/16/96/27/1036169627.db2.gz HCAUPXKKYMMKHY-MRXNPFEDSA-N 1 1 342.446 3.906 20 30 EHEDMO CC(C)Oc1ccccc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000588979010 1036209309 /nfs/dbraw/zinc/20/93/09/1036209309.db2.gz NQKQURUGINALNR-UHFFFAOYSA-N 1 1 338.451 3.994 20 30 EHEDMO C=CC[N@H+](CCOC)Cc1cc(Br)cc2cccnc21 ZINC000191146304 1036341476 /nfs/dbraw/zinc/34/14/76/1036341476.db2.gz JDMXMDGUAXOGPC-UHFFFAOYSA-N 1 1 335.245 3.632 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(Cl)cc1 ZINC000031006298 1036388538 /nfs/dbraw/zinc/38/85/38/1036388538.db2.gz HMPXPDCUGLQDFC-UHFFFAOYSA-N 1 1 327.815 3.672 20 30 EHEDMO C[N@@H+](CCCC(C)(C)C#N)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000492942377 1036443187 /nfs/dbraw/zinc/44/31/87/1036443187.db2.gz 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ZINC000192201449 1036505380 /nfs/dbraw/zinc/50/53/80/1036505380.db2.gz IAZVAAZVAUGHRS-WMZOPIPTSA-N 1 1 336.838 3.534 20 30 EHEDMO C#CCCCC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000192201449 1036505398 /nfs/dbraw/zinc/50/53/98/1036505398.db2.gz IAZVAAZVAUGHRS-WMZOPIPTSA-N 1 1 336.838 3.534 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)nc1 ZINC000582853492 1036512614 /nfs/dbraw/zinc/51/26/14/1036512614.db2.gz GYMVQXPREHOZIP-OAHLLOKOSA-N 1 1 348.233 3.913 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)nc1 ZINC000582853492 1036512621 /nfs/dbraw/zinc/51/26/21/1036512621.db2.gz GYMVQXPREHOZIP-OAHLLOKOSA-N 1 1 348.233 3.913 20 30 EHEDMO c1ccc([C@@H]2CC(=NNC[C@@H]3CCSC3)CC[N@H+]2C2CC2)cc1 ZINC000841639130 1036581450 /nfs/dbraw/zinc/58/14/50/1036581450.db2.gz KTXGUTLBRLRKAR-KXBFYZLASA-N 1 1 329.513 3.685 20 30 EHEDMO C=C(C)C[NH+]1CCC(NCc2cc(C)c(Br)s2)CC1 ZINC000127564902 1036627277 /nfs/dbraw/zinc/62/72/77/1036627277.db2.gz IQDGYXKCRJOXKZ-UHFFFAOYSA-N 1 1 343.334 3.949 20 30 EHEDMO N#Cc1ccc(O[C@H]2CC[N@H+]([C@H]3CCc4c3cccc4Cl)C2)nc1 ZINC000428784224 1036634706 /nfs/dbraw/zinc/63/47/06/1036634706.db2.gz JSEOUDVZGBQTOR-KSSFIOAISA-N 1 1 339.826 3.747 20 30 EHEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000464723633 1036703160 /nfs/dbraw/zinc/70/31/60/1036703160.db2.gz BULYVWXDEMRBHV-AUUYWEPGSA-N 1 1 337.398 3.719 20 30 EHEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000464723633 1036703182 /nfs/dbraw/zinc/70/31/82/1036703182.db2.gz BULYVWXDEMRBHV-AUUYWEPGSA-N 1 1 337.398 3.719 20 30 EHEDMO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000464723642 1036703555 /nfs/dbraw/zinc/70/35/55/1036703555.db2.gz BULYVWXDEMRBHV-LIRRHRJNSA-N 1 1 337.398 3.719 20 30 EHEDMO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000464723642 1036703574 /nfs/dbraw/zinc/70/35/74/1036703574.db2.gz BULYVWXDEMRBHV-LIRRHRJNSA-N 1 1 337.398 3.719 20 30 EHEDMO C=CCCn1cc(C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)nn1 ZINC000653573947 1036744615 /nfs/dbraw/zinc/74/46/15/1036744615.db2.gz WLLOUKPTXIJODU-KRWDZBQOSA-N 1 1 335.455 3.715 20 30 EHEDMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC000180424395 1036816760 /nfs/dbraw/zinc/81/67/60/1036816760.db2.gz WQYYMZWMDTZCJU-LLVKDONJSA-N 1 1 336.361 3.785 20 30 EHEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464812477 1036824863 /nfs/dbraw/zinc/82/48/63/1036824863.db2.gz KWSJJAQLZMGODC-UXHICEINSA-N 1 1 331.419 3.709 20 30 EHEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464812477 1036824874 /nfs/dbraw/zinc/82/48/74/1036824874.db2.gz KWSJJAQLZMGODC-UXHICEINSA-N 1 1 331.419 3.709 20 30 EHEDMO CC(C)c1csc([C@H]2CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)n1 ZINC000191394843 1036949519 /nfs/dbraw/zinc/94/95/19/1036949519.db2.gz AVFNFGBXCZDBML-HNNXBMFYSA-N 1 1 328.485 3.856 20 30 EHEDMO COc1ccc(C#N)cc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000325895994 1036966517 /nfs/dbraw/zinc/96/65/17/1036966517.db2.gz VAALWWYOYAGATP-UHFFFAOYSA-N 1 1 341.842 3.542 20 30 EHEDMO C[C@H](CCC#N)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000591010285 1037187316 /nfs/dbraw/zinc/18/73/16/1037187316.db2.gz NGDAHKITXJLQSB-CQSZACIVSA-N 1 1 325.378 3.515 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](OCCC(C)C)C2)cc1OC ZINC000539836900 1037267765 /nfs/dbraw/zinc/26/77/65/1037267765.db2.gz MKPXGXRMGAGMKK-SFHVURJKSA-N 1 1 333.472 3.897 20 30 EHEDMO C=CCOc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000539897891 1037332897 /nfs/dbraw/zinc/33/28/97/1037332897.db2.gz JPJBGXCAPXNTOC-SJLPKXTDSA-N 1 1 334.891 3.821 20 30 EHEDMO Cc1cccc2c1ncc(C#N)c2N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000610946694 1037334546 /nfs/dbraw/zinc/33/45/46/1037334546.db2.gz IDENRUCJYUZJCI-OXJNMPFZSA-N 1 1 346.478 3.868 20 30 EHEDMO C[C@H](c1nc2ccccc2o1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000180968842 1037355132 /nfs/dbraw/zinc/35/51/32/1037355132.db2.gz HUJKPNWZVYMEMZ-MRXNPFEDSA-N 1 1 346.434 3.973 20 30 EHEDMO CSc1nc(N2CCCC2)cc(N[C@@H](C)c2cccc(C#N)c2)[nH+]1 ZINC001167707104 1037530846 /nfs/dbraw/zinc/53/08/46/1037530846.db2.gz CUERYHYUUMIZPM-ZDUSSCGKSA-N 1 1 339.468 3.843 20 30 EHEDMO CSc1nc(N[C@@H](C)c2cccc(C#N)c2)cc(N2CCCC2)[nH+]1 ZINC001167707104 1037530855 /nfs/dbraw/zinc/53/08/55/1037530855.db2.gz CUERYHYUUMIZPM-ZDUSSCGKSA-N 1 1 339.468 3.843 20 30 EHEDMO C#C[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)c1ccc(Cl)cc1F ZINC000491627416 1037595703 /nfs/dbraw/zinc/59/57/03/1037595703.db2.gz KVELUOKVKBGYJE-MRXNPFEDSA-N 1 1 347.821 3.680 20 30 EHEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000532571496 1037671668 /nfs/dbraw/zinc/67/16/68/1037671668.db2.gz ARYMMZVTSZRTII-LPHOPBHVSA-N 1 1 333.435 3.765 20 30 EHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000532571771 1037671741 /nfs/dbraw/zinc/67/17/41/1037671741.db2.gz AHSGOWMTBUDWER-OAHLLOKOSA-N 1 1 333.432 3.908 20 30 EHEDMO CSc1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1 ZINC000029857410 1037741917 /nfs/dbraw/zinc/74/19/17/1037741917.db2.gz GHALWEBXEKRKRZ-UHFFFAOYSA-N 1 1 341.455 3.741 20 30 EHEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4ccncc4C#N)C3)nc2c1 ZINC000592084002 1037829316 /nfs/dbraw/zinc/82/93/16/1037829316.db2.gz AIKFPPJNWJHOSR-MRXNPFEDSA-N 1 1 331.423 3.518 20 30 EHEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4ccncc4C#N)C3)nc2c1 ZINC000592084002 1037829340 /nfs/dbraw/zinc/82/93/40/1037829340.db2.gz AIKFPPJNWJHOSR-MRXNPFEDSA-N 1 1 331.423 3.518 20 30 EHEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4ccncc4C#N)C3)[nH]c2c1 ZINC000592084002 1037829358 /nfs/dbraw/zinc/82/93/58/1037829358.db2.gz AIKFPPJNWJHOSR-MRXNPFEDSA-N 1 1 331.423 3.518 20 30 EHEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4ccncc4C#N)C3)[nH]c2c1 ZINC000592084002 1037829372 /nfs/dbraw/zinc/82/93/72/1037829372.db2.gz AIKFPPJNWJHOSR-MRXNPFEDSA-N 1 1 331.423 3.518 20 30 EHEDMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3cc(C#N)ccc3C)CC2)c1 ZINC000058453524 1037918229 /nfs/dbraw/zinc/91/82/29/1037918229.db2.gz YHYAFVJIOSAYMD-UHFFFAOYSA-N 1 1 348.450 3.525 20 30 EHEDMO CCCC[N@@H+](Cc1ccnc(C#N)c1)[C@H]1CCc2ncsc2C1 ZINC000592189428 1037926403 /nfs/dbraw/zinc/92/64/03/1037926403.db2.gz UMWJVZMREDLZBF-INIZCTEOSA-N 1 1 326.469 3.569 20 30 EHEDMO CCCC[N@@H+](Cc1nc(C#N)cs1)[C@H]1CCc2ncsc2C1 ZINC000592187720 1037927636 /nfs/dbraw/zinc/92/76/36/1037927636.db2.gz KUUKWYWCEHHCLR-ZDUSSCGKSA-N 1 1 332.498 3.631 20 30 EHEDMO C[C@H]1OCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)[C@H]1C ZINC000538726241 1038494223 /nfs/dbraw/zinc/49/42/23/1038494223.db2.gz GKGVYUMWOLACLU-DLBZAZTESA-N 1 1 336.435 3.746 20 30 EHEDMO C[C@H]1OCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)[C@H]1C ZINC000538726241 1038494229 /nfs/dbraw/zinc/49/42/29/1038494229.db2.gz GKGVYUMWOLACLU-DLBZAZTESA-N 1 1 336.435 3.746 20 30 EHEDMO CCCOc1cccc(C[N@@H+](CCOC)Cc2ccc(C#N)cc2)c1 ZINC000538740338 1038504026 /nfs/dbraw/zinc/50/40/26/1038504026.db2.gz GJXGOVWSXAXXSB-UHFFFAOYSA-N 1 1 338.451 3.996 20 30 EHEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1cccc(CC#N)c1 ZINC000455918495 1038585914 /nfs/dbraw/zinc/58/59/14/1038585914.db2.gz KWHNSNXNMDDLGN-INIZCTEOSA-N 1 1 328.460 3.529 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(C(=O)OC)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000512380022 1038925411 /nfs/dbraw/zinc/92/54/11/1038925411.db2.gz UCSBGHVIYGFOQE-UHFFFAOYSA-N 1 1 340.379 3.570 20 30 EHEDMO C=CC[N@H+](Cc1ccc(C(=O)OC)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000512380022 1038925426 /nfs/dbraw/zinc/92/54/26/1038925426.db2.gz UCSBGHVIYGFOQE-UHFFFAOYSA-N 1 1 340.379 3.570 20 30 EHEDMO C=CCCCCC[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000488238885 1038996425 /nfs/dbraw/zinc/99/64/25/1038996425.db2.gz VSGRHJFSHOYVQY-UHFFFAOYSA-N 1 1 328.500 3.900 20 30 EHEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CCOc1ccc(C#N)cc1)CCC2 ZINC000478054047 1039155009 /nfs/dbraw/zinc/15/50/09/1039155009.db2.gz OVYGZMVOESREIE-KRWDZBQOSA-N 1 1 341.480 3.965 20 30 EHEDMO C[N@@H+](CCNC(=O)N[C@@H](CCCC#N)c1ccccc1)C1CCCC1 ZINC000431921510 1039433008 /nfs/dbraw/zinc/43/30/08/1039433008.db2.gz XHZPXEOBHLGMFF-IBGZPJMESA-N 1 1 342.487 3.595 20 30 EHEDMO C=CCN1CC[C@H]([N@@H+](CC)C(c2ccccc2)c2ccccc2)C1=O ZINC000554540890 1039458312 /nfs/dbraw/zinc/45/83/12/1039458312.db2.gz VNWHKEYEQIGAPA-FQEVSTJZSA-N 1 1 334.463 3.885 20 30 EHEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431928075 1039507429 /nfs/dbraw/zinc/50/74/29/1039507429.db2.gz SKMPZSRUWZYSLD-RTBURBONSA-N 1 1 342.487 3.595 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)N[C@@H](C)CCC)C2)cc1 ZINC000512521289 1039562503 /nfs/dbraw/zinc/56/25/03/1039562503.db2.gz CGQZKDHRVBSMNP-HKUYNNGSSA-N 1 1 344.499 3.768 20 30 EHEDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000584763043 1039757465 /nfs/dbraw/zinc/75/74/65/1039757465.db2.gz OXNLZAXISFQNPX-GJZGRUSLSA-N 1 1 346.500 3.639 20 30 EHEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000554863417 1039879242 /nfs/dbraw/zinc/87/92/42/1039879242.db2.gz RVNFREISXMSNJW-IBGZPJMESA-N 1 1 333.435 3.937 20 30 EHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC000489405494 1039919151 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3.782 20 30 EHEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CCOc1cccc(C#N)c1)CCC2 ZINC000111311998 1128859291 /nfs/dbraw/zinc/85/92/91/1128859291.db2.gz GCOJNWQULHIDEY-QGZVFWFLSA-N 1 1 327.453 3.711 20 30 EHEDMO C[C@H](C#N)C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000338754916 1128871791 /nfs/dbraw/zinc/87/17/91/1128871791.db2.gz HRXMFWBXULKMPE-GJLUPPFNSA-N 1 1 345.874 3.530 20 30 EHEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCCC3(CCCCC3)C2)cc1 ZINC000111698459 1128881100 /nfs/dbraw/zinc/88/11/00/1128881100.db2.gz YFPKSGSXFFRUJB-LJQANCHMSA-N 1 1 342.483 3.539 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000494239704 1120513678 /nfs/dbraw/zinc/51/36/78/1120513678.db2.gz ZECRHVPLIOKGEE-RHSMWYFYSA-N 1 1 335.879 3.693 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCSC[C@@H](C)C1 ZINC000190395575 1120636494 /nfs/dbraw/zinc/63/64/94/1120636494.db2.gz WPNJAGWVPIPOEQ-AWEZNQCLSA-N 1 1 336.526 3.588 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCSC[C@@H](C)C1 ZINC000190395575 1120636497 /nfs/dbraw/zinc/63/64/97/1120636497.db2.gz WPNJAGWVPIPOEQ-AWEZNQCLSA-N 1 1 336.526 3.588 20 30 EHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000494704486 1120720149 /nfs/dbraw/zinc/72/01/49/1120720149.db2.gz UWOXWDBGLKXOGT-SFHVURJKSA-N 1 1 337.385 3.948 20 30 EHEDMO N#Cc1cc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)cs1 ZINC000921939807 1128947417 /nfs/dbraw/zinc/94/74/17/1128947417.db2.gz WQLJMQAEGYHDPM-UHFFFAOYSA-N 1 1 334.391 3.693 20 30 EHEDMO Cc1nc(NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)ccc1C#N ZINC000487931870 1121272347 /nfs/dbraw/zinc/27/23/47/1121272347.db2.gz PVNLLQKOVKVLLD-MRXNPFEDSA-N 1 1 334.467 3.670 20 30 EHEDMO Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193755239 1121620596 /nfs/dbraw/zinc/62/05/96/1121620596.db2.gz PFIPTKBLXPGYAI-IBGZPJMESA-N 1 1 348.450 3.510 20 30 EHEDMO Cc1ccc2ncc(C#N)c(N3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)c2c1 ZINC000488115214 1122166083 /nfs/dbraw/zinc/16/60/83/1122166083.db2.gz VMFZECMHEWJAOH-MSOLQXFVSA-N 1 1 334.467 3.866 20 30 EHEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763398122 1122227296 /nfs/dbraw/zinc/22/72/96/1122227296.db2.gz QFZAQMTVXRFWOT-LEWJYISDSA-N 1 1 336.435 3.610 20 30 EHEDMO COc1cccc(C[N@@H+](CC(C)C)C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000763409825 1122230482 /nfs/dbraw/zinc/23/04/82/1122230482.db2.gz UMDCWUHKICWUME-OAQYLSRUSA-N 1 1 338.451 3.758 20 30 EHEDMO C=CCn1c(SCC[C@@H]2CCC[N@@H+]2C)nnc1-c1cccs1 ZINC000126836825 1122445728 /nfs/dbraw/zinc/44/57/28/1122445728.db2.gz MZJAGBTXNLGQMQ-ZDUSSCGKSA-N 1 1 334.514 3.769 20 30 EHEDMO NC(CCCc1ccccc1)=[NH+]OCc1nc(C(F)(F)F)cs1 ZINC000154292991 1122533254 /nfs/dbraw/zinc/53/32/54/1122533254.db2.gz MOBWTFMDNZFXQK-UHFFFAOYSA-N 1 1 343.374 3.974 20 30 EHEDMO CC[N@@H+](CC(=O)N(CC(C)C)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497599919 1122604774 /nfs/dbraw/zinc/60/47/74/1122604774.db2.gz NUTRFLWYBLVATB-KRWDZBQOSA-N 1 1 329.488 3.834 20 30 EHEDMO C[N@@H+](CCOc1ccccc1Cl)CCOc1ccccc1C#N ZINC000497605294 1122607026 /nfs/dbraw/zinc/60/70/26/1122607026.db2.gz DSUVKXOCQPYDEB-UHFFFAOYSA-N 1 1 330.815 3.601 20 30 EHEDMO CC[N@@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497618195 1122611267 /nfs/dbraw/zinc/61/12/67/1122611267.db2.gz FIJNLWXNEIXTDV-OGNFBWPZSA-N 1 1 341.499 3.882 20 30 EHEDMO C=CCN(Cc1ccccc1)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000128771267 1122665456 /nfs/dbraw/zinc/66/54/56/1122665456.db2.gz WFTSSWPNHYXXQT-IBGZPJMESA-N 1 1 343.515 3.896 20 30 EHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1csc(Cl)c1)C2 ZINC001142762139 1122768538 /nfs/dbraw/zinc/76/85/38/1122768538.db2.gz JGUAXGBNAPBDSP-QGZVFWFLSA-N 1 1 338.904 3.935 20 30 EHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1csc(Cl)c1)C2 ZINC001142762139 1122768541 /nfs/dbraw/zinc/76/85/41/1122768541.db2.gz JGUAXGBNAPBDSP-QGZVFWFLSA-N 1 1 338.904 3.935 20 30 EHEDMO C=CCC(C)(C)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000556267414 1122907415 /nfs/dbraw/zinc/90/74/15/1122907415.db2.gz VCPWQQMQYXRVOG-IYBDPMFKSA-N 1 1 330.472 3.837 20 30 EHEDMO C=CCC(C)(C)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000556267414 1122907419 /nfs/dbraw/zinc/90/74/19/1122907419.db2.gz VCPWQQMQYXRVOG-IYBDPMFKSA-N 1 1 330.472 3.837 20 30 EHEDMO C=CC[C@@H](CC)NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000499615127 1129088358 /nfs/dbraw/zinc/08/83/58/1129088358.db2.gz KDSFGVCHAZHLNT-HZPDHXFCSA-N 1 1 335.517 3.614 20 30 EHEDMO C=CCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CC(C)C)C1CC1 ZINC001127509925 1123096688 /nfs/dbraw/zinc/09/66/88/1123096688.db2.gz JNSBVUIFHBMTTL-TZIWHRDSSA-N 1 1 340.511 3.958 20 30 EHEDMO C[C@H](c1ccccc1Cl)[N@@H+](CCC(=O)N(C)CCC#N)C1CC1 ZINC000131434211 1123105532 /nfs/dbraw/zinc/10/55/32/1123105532.db2.gz ILJJNMMQOBAUIK-CQSZACIVSA-N 1 1 333.863 3.628 20 30 EHEDMO Cc1ccc(C[N@H+](CCCC(C)C)CC(=O)N[C@@](C)(C#N)C2CC2)o1 ZINC000919673115 1123111699 /nfs/dbraw/zinc/11/16/99/1123111699.db2.gz IDTMUZRMSMUTDV-FQEVSTJZSA-N 1 1 345.487 3.635 20 30 EHEDMO Cc1ccc(C[N@@H+](CCCC(C)C)CC(=O)N[C@@](C)(C#N)C2CC2)o1 ZINC000919673115 1123111701 /nfs/dbraw/zinc/11/17/01/1123111701.db2.gz IDTMUZRMSMUTDV-FQEVSTJZSA-N 1 1 345.487 3.635 20 30 EHEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1sc2ccc(C#N)cc2c1C ZINC000556944898 1123226767 /nfs/dbraw/zinc/22/67/67/1123226767.db2.gz UCIUCFAVBVVRIB-HNNXBMFYSA-N 1 1 341.480 3.686 20 30 EHEDMO COc1cccc(O)c1/C=N\Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000920387040 1123363238 /nfs/dbraw/zinc/36/32/38/1123363238.db2.gz KFGTWDPBEOLXLY-MTJSOVHGSA-N 1 1 339.370 3.653 20 30 EHEDMO CC(C)C[N@H+](CCC#N)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000921231063 1123492967 /nfs/dbraw/zinc/49/29/67/1123492967.db2.gz JXMSVFHWBFDYCF-SFHVURJKSA-N 1 1 332.488 3.595 20 30 EHEDMO CC(C)C[N@@H+](CCC#N)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000921231063 1123492971 /nfs/dbraw/zinc/49/29/71/1123492971.db2.gz JXMSVFHWBFDYCF-SFHVURJKSA-N 1 1 332.488 3.595 20 30 EHEDMO N#CC1(c2ccc(Nc3ccc(C[NH+]4CCOCC4)cc3)cc2)CC1 ZINC001212253576 1123499540 /nfs/dbraw/zinc/49/95/40/1123499540.db2.gz MIUMPUOEMWNRGI-UHFFFAOYSA-N 1 1 333.435 3.818 20 30 EHEDMO Cc1cc(N[C@@H]2CC[N@@H+](CC3CC3)C2)n2c3ccccc3nc2c1C#N ZINC000609384413 1123567780 /nfs/dbraw/zinc/56/77/80/1123567780.db2.gz SZSXUUAEOBBDCC-MRXNPFEDSA-N 1 1 345.450 3.564 20 30 EHEDMO CC(C)[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350366 1123573661 /nfs/dbraw/zinc/57/36/61/1123573661.db2.gz NBGTWKHUBCUHOW-UHFFFAOYSA-N 1 1 339.395 3.756 20 30 EHEDMO N#Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000609449217 1123581498 /nfs/dbraw/zinc/58/14/98/1123581498.db2.gz HRLOSFHVWOWDNF-IBGZPJMESA-N 1 1 340.471 3.724 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)C(C2CC2)C2CC2)cc1C ZINC000175139169 1123606895 /nfs/dbraw/zinc/60/68/95/1123606895.db2.gz RIDQFTXEPFIFRZ-UHFFFAOYSA-N 1 1 339.483 3.671 20 30 EHEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000609541481 1123607544 /nfs/dbraw/zinc/60/75/44/1123607544.db2.gz RSYFIZCIRLSTGJ-UHFFFAOYSA-N 1 1 349.453 3.972 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000609540084 1123607689 /nfs/dbraw/zinc/60/76/89/1123607689.db2.gz PNRSPPBYMRGBTC-GXTWGEPZSA-N 1 1 343.814 3.621 20 30 EHEDMO CC[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000179618532 1123809124 /nfs/dbraw/zinc/80/91/24/1123809124.db2.gz IFIVZQHJULSUHC-KRWDZBQOSA-N 1 1 329.350 3.516 20 30 EHEDMO C[C@H]1CCC[N@@H+](C(C)(C)CNCc2cccc(OCCCC#N)c2)C1 ZINC000237719434 1123833827 /nfs/dbraw/zinc/83/38/27/1123833827.db2.gz WSPBGLOCLHFNFH-SFHVURJKSA-N 1 1 343.515 3.969 20 30 EHEDMO C[C@H]1CCC[N@H+](C(C)(C)CNCc2cccc(OCCCC#N)c2)C1 ZINC000237719434 1123833832 /nfs/dbraw/zinc/83/38/32/1123833832.db2.gz WSPBGLOCLHFNFH-SFHVURJKSA-N 1 1 343.515 3.969 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@@](C)(NC(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001484052760 1123863810 /nfs/dbraw/zinc/86/38/10/1123863810.db2.gz STUYNTQVFMHNNK-HXUWFJFHSA-N 1 1 347.503 3.514 20 30 EHEDMO C#CC[N@H+](CCC(=O)Nc1ccccc1C(F)(F)F)C1CCCC1 ZINC000138354336 1123906176 /nfs/dbraw/zinc/90/61/76/1123906176.db2.gz DNEZMPNFSAKJPK-UHFFFAOYSA-N 1 1 338.373 3.912 20 30 EHEDMO C#CCOc1ccccc1C[NH2+][C@H]1CCOc2ccc(OCC)cc21 ZINC000180900920 1124096574 /nfs/dbraw/zinc/09/65/74/1124096574.db2.gz PVVBURPGCKNQNR-IBGZPJMESA-N 1 1 337.419 3.711 20 30 EHEDMO C=CC[C@@H](NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccncc1 ZINC000734657400 1131263099 /nfs/dbraw/zinc/26/30/99/1131263099.db2.gz DYOWNIAPHQMGEB-PKOBYXMFSA-N 1 1 344.503 3.510 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248862253 1124708828 /nfs/dbraw/zinc/70/88/28/1124708828.db2.gz PVHGEPLDNOCXLW-RKNHFHLDSA-N 1 1 325.500 3.815 20 30 EHEDMO CCOCCC[N@H+]1CCC(N=Nc2nccc3sccc32)[C@H](C)C1 ZINC000735229771 1131319141 /nfs/dbraw/zinc/31/91/41/1131319141.db2.gz QSEIMCYPPRBDSI-CQSZACIVSA-N 1 1 346.500 3.833 20 30 EHEDMO CC(C)[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(F)cc1F ZINC000181646713 1124998574 /nfs/dbraw/zinc/99/85/74/1124998574.db2.gz CAIWIQAAORSWEF-INIZCTEOSA-N 1 1 349.406 3.823 20 30 EHEDMO CC(C)(C)OCCC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000618326970 1125047448 /nfs/dbraw/zinc/04/74/48/1125047448.db2.gz UKJCAGNHTAAEHY-UHFFFAOYSA-N 1 1 335.879 3.539 20 30 EHEDMO C=CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000618665485 1125148438 /nfs/dbraw/zinc/14/84/38/1125148438.db2.gz JEWWWYVQTYEJQM-UYAOXDASSA-N 1 1 326.484 3.870 20 30 EHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2CCCOc2cccc(C#N)c2)C1 ZINC000619623753 1125372576 /nfs/dbraw/zinc/37/25/76/1125372576.db2.gz SKBAPHCUZKRHOP-RCOXNQKVSA-N 1 1 342.483 3.589 20 30 EHEDMO COc1cc(C[NH2+][C@H](CN2CCCCC2)c2ccccc2)ccc1C#N ZINC000619652606 1125378303 /nfs/dbraw/zinc/37/83/03/1125378303.db2.gz JULDMRKZETYKRK-OAQYLSRUSA-N 1 1 349.478 3.884 20 30 EHEDMO COc1cc(CN2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)ccc1C#N ZINC000619674404 1125379523 /nfs/dbraw/zinc/37/95/23/1125379523.db2.gz HEHWJLQASHWYBB-GOSISDBHSA-N 1 1 349.478 3.663 20 30 EHEDMO CCCCCC[N@@H+](C)CC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000735653068 1131370508 /nfs/dbraw/zinc/37/05/08/1131370508.db2.gz YNYKROANSQRRTI-UHFFFAOYSA-N 1 1 331.460 3.796 20 30 EHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCCCCC2)c1C#N ZINC000012485006 1129421915 /nfs/dbraw/zinc/42/19/15/1129421915.db2.gz POKUXXQENZUICQ-UHFFFAOYSA-N 1 1 342.487 3.906 20 30 EHEDMO CCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000069091950 1129422591 /nfs/dbraw/zinc/42/25/91/1129422591.db2.gz BQTQUYKFRMWHQK-UHFFFAOYSA-N 1 1 330.476 3.762 20 30 EHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)CCc1ccccc1 ZINC000543450078 1129496166 /nfs/dbraw/zinc/49/61/66/1129496166.db2.gz YXYMZBKZDBHMSO-HXUWFJFHSA-N 1 1 340.423 3.577 20 30 EHEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000261386459 1129522052 /nfs/dbraw/zinc/52/20/52/1129522052.db2.gz BVMSRACUVDSADR-APWZRJJASA-N 1 1 342.487 3.573 20 30 EHEDMO N#Cc1c(F)cccc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000428956806 1129637137 /nfs/dbraw/zinc/63/71/37/1129637137.db2.gz ZBUYMGVCSIXSTA-QUCCMNQESA-N 1 1 349.453 3.651 20 30 EHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C#N)cc1 ZINC000390987057 1129644440 /nfs/dbraw/zinc/64/44/40/1129644440.db2.gz LPJKEAXHHONFNF-FQEVSTJZSA-N 1 1 347.462 3.589 20 30 EHEDMO N#Cc1c(F)cccc1CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000428968546 1129649800 /nfs/dbraw/zinc/64/98/00/1129649800.db2.gz SKLUKEALGUVONI-UHFFFAOYSA-N 1 1 338.430 3.610 20 30 EHEDMO C#CC[N@H+](C[C@H]1CN(c2ccccc2)C(=O)O1)[C@H]1CCc2ccccc21 ZINC000735920734 1131391208 /nfs/dbraw/zinc/39/12/08/1131391208.db2.gz ZWGUTSAMIDJZPB-FPOVZHCZSA-N 1 1 346.430 3.635 20 30 EHEDMO CC[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000125721474 1129712138 /nfs/dbraw/zinc/71/21/38/1129712138.db2.gz DQBWNBQKGCEOEE-CYBMUJFWSA-N 1 1 331.485 3.559 20 30 EHEDMO C=CC[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000625702565 1129986235 /nfs/dbraw/zinc/98/62/35/1129986235.db2.gz VEEXOHNEJWIODA-LBPRGKRZSA-N 1 1 348.244 3.897 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429215779 1129988317 /nfs/dbraw/zinc/98/83/17/1129988317.db2.gz QSIAUYROAFGLOZ-HNNXBMFYSA-N 1 1 347.890 3.504 20 30 EHEDMO N#Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000245718236 1130304034 /nfs/dbraw/zinc/30/40/34/1130304034.db2.gz DDDRXNSVNMJXQU-WIYYLYMNSA-N 1 1 335.451 3.638 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)o1 ZINC000174326413 1130351544 /nfs/dbraw/zinc/35/15/44/1130351544.db2.gz UUSHFJLTIFFICI-UHFFFAOYSA-N 1 1 349.365 3.832 20 30 EHEDMO COc1ccc(C[NH2+]C2CCN([C@@H](C)c3ccccc3)CC2)cc1C#N ZINC000174402476 1130356870 /nfs/dbraw/zinc/35/68/70/1130356870.db2.gz IUDDFUQPRDMWDB-KRWDZBQOSA-N 1 1 349.478 3.882 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000246540898 1130390551 /nfs/dbraw/zinc/39/05/51/1130390551.db2.gz JRGKAZAKVVCXRS-WMZOPIPTSA-N 1 1 329.463 3.784 20 30 EHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNCc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000732229999 1130902522 /nfs/dbraw/zinc/90/25/22/1130902522.db2.gz UBZRYYJSFMIMAA-QZTJIDSGSA-N 1 1 343.515 3.968 20 30 EHEDMO CC[C@@H]1CCCN(C(C)(C)C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000732229999 1130902526 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CCCCCCCC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741205992 1131588230 /nfs/dbraw/zinc/58/82/30/1131588230.db2.gz ZIYQREUFIGCFPC-UYAOXDASSA-N 1 1 346.515 3.753 20 30 EHEDMO CCCCCCCC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741205992 1131588234 /nfs/dbraw/zinc/58/82/34/1131588234.db2.gz ZIYQREUFIGCFPC-UYAOXDASSA-N 1 1 346.515 3.753 20 30 EHEDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)ccc1OCC#N ZINC000741249916 1131589191 /nfs/dbraw/zinc/58/91/91/1131589191.db2.gz GPJKKFPRCCNLAL-HNNXBMFYSA-N 1 1 344.842 3.625 20 30 EHEDMO Cc1nc2sc3c(c2c(N=NC2CC[N@@H+](C)[C@H](C)C2)n1)CCCC3 ZINC000741456754 1131604764 /nfs/dbraw/zinc/60/47/64/1131604764.db2.gz SAEDVFUIWGGIDA-LLVKDONJSA-N 1 1 343.500 3.761 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCCC3(CCOCC3)C2)c1O ZINC000742159746 1131695041 /nfs/dbraw/zinc/69/50/41/1131695041.db2.gz VEYKTJTVLQQPOX-UHFFFAOYSA-N 1 1 345.483 3.912 20 30 EHEDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000742236591 1131698856 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ZINC001169260370 1132711906 /nfs/dbraw/zinc/71/19/06/1132711906.db2.gz BBJGQWJYOWTVQF-IAQYHMDHSA-N 1 1 346.254 3.810 20 30 EHEDMO C=CC[C@H](C(=O)OC)[N@@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001169260370 1132711910 /nfs/dbraw/zinc/71/19/10/1132711910.db2.gz BBJGQWJYOWTVQF-IAQYHMDHSA-N 1 1 346.254 3.810 20 30 EHEDMO C[C@@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC001176337352 1132902403 /nfs/dbraw/zinc/90/24/03/1132902403.db2.gz XOVMFYVBCXZYNJ-LJQANCHMSA-N 1 1 334.463 3.997 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](C)C2)cc1 ZINC000766989267 1132921337 /nfs/dbraw/zinc/92/13/37/1132921337.db2.gz UFEBFHNFEMXWLC-BZSNNMDCSA-N 1 1 327.472 3.608 20 30 EHEDMO C#CC[N@@H+](C[C@@H]1CCC2(CCOCC2)O1)[C@H]1CCCc2ccccc21 ZINC001176453406 1132937989 /nfs/dbraw/zinc/93/79/89/1132937989.db2.gz TXUQMRQPQJQJSD-FPOVZHCZSA-N 1 1 339.479 3.727 20 30 EHEDMO OC1(c2ccccc2)CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000767854825 1133060358 /nfs/dbraw/zinc/06/03/58/1133060358.db2.gz BPNKWPIEZRWXBA-UHFFFAOYSA-N 1 1 325.839 3.675 20 30 EHEDMO C=C(C)C[C@H](C)C(=O)OC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000767992662 1133079190 /nfs/dbraw/zinc/07/91/90/1133079190.db2.gz ZLOQABXWEMYSAP-IEZWGBDMSA-N 1 1 331.456 3.834 20 30 EHEDMO CC[C@H](CSC)[N@@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000773711341 1133108574 /nfs/dbraw/zinc/10/85/74/1133108574.db2.gz MXOBQACPJJRICE-QGZVFWFLSA-N 1 1 347.528 3.624 20 30 EHEDMO C[C@@H]1C[C@@H](NCc2cc(C#N)ccc2F)C[N@H+](Cc2ccccc2)C1 ZINC000768517188 1133154118 /nfs/dbraw/zinc/15/41/18/1133154118.db2.gz IXCFXGLTPITNRX-OXQOHEQNSA-N 1 1 337.442 3.698 20 30 EHEDMO C[C@@H]1C[C@@H](NCc2cc(C#N)ccc2F)C[N@@H+](Cc2ccccc2)C1 ZINC000768517188 1133154121 /nfs/dbraw/zinc/15/41/21/1133154121.db2.gz IXCFXGLTPITNRX-OXQOHEQNSA-N 1 1 337.442 3.698 20 30 EHEDMO C#CCCOc1ccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000769045976 1133218072 /nfs/dbraw/zinc/21/80/72/1133218072.db2.gz KRRCZUUIFUJCSB-NRFANRHFSA-N 1 1 339.435 3.863 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000769315212 1133260399 /nfs/dbraw/zinc/26/03/99/1133260399.db2.gz HSCNLSVDEXPSHM-UTKZUKDTSA-N 1 1 336.435 3.941 20 30 EHEDMO C=CC1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769400952 1133276323 /nfs/dbraw/zinc/27/63/23/1133276323.db2.gz AZKLKPXJSNOBDM-UHFFFAOYSA-N 1 1 325.206 3.755 20 30 EHEDMO COC(=O)c1cccc2c(C[N@H+](CCC#N)CC(C)(C)C)ccnc12 ZINC001180030223 1133318198 /nfs/dbraw/zinc/31/81/98/1133318198.db2.gz LHOAQWLKIMVLQS-UHFFFAOYSA-N 1 1 339.439 3.783 20 30 EHEDMO COC(=O)c1cccc2c(C[N@@H+](CCC#N)CC(C)(C)C)ccnc12 ZINC001180030223 1133318205 /nfs/dbraw/zinc/31/82/05/1133318205.db2.gz LHOAQWLKIMVLQS-UHFFFAOYSA-N 1 1 339.439 3.783 20 30 EHEDMO N#Cc1ccccc1N1CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC001180547192 1133391055 /nfs/dbraw/zinc/39/10/55/1133391055.db2.gz XTOJMUFDPJBQII-ONEGZZNKSA-N 1 1 339.389 3.672 20 30 EHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2snc(Cl)c2C#N)C1 ZINC000771126985 1133508795 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342.483 3.521 20 30 EHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1ccc(F)cc1C ZINC000746661944 1133972578 /nfs/dbraw/zinc/97/25/78/1133972578.db2.gz OKWMWMIXOCJQBP-HXUWFJFHSA-N 1 1 329.415 3.864 20 30 EHEDMO Cc1cc(F)c(C#N)c(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC001184681058 1133980914 /nfs/dbraw/zinc/98/09/14/1133980914.db2.gz IVRFFWUSEGTLGM-UHFFFAOYSA-N 1 1 341.405 3.857 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cc(C(C)C)c(C)cc2O)n1 ZINC000788371394 1134118389 /nfs/dbraw/zinc/11/83/89/1134118389.db2.gz KWYPMHVCFWQXLG-UHFFFAOYSA-N 1 1 325.456 3.676 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)Cc2cc(C(C)C)c(C)cc2O)n1 ZINC000788371394 1134118391 /nfs/dbraw/zinc/11/83/91/1134118391.db2.gz KWYPMHVCFWQXLG-UHFFFAOYSA-N 1 1 325.456 3.676 20 30 EHEDMO OC[C@@H](N[NH+]=Cc1c(Cl)cccc1N1CCCC1)c1ccccc1 ZINC000788469218 1134128832 /nfs/dbraw/zinc/12/88/32/1134128832.db2.gz PMEAMOZWJDMFFL-GOSISDBHSA-N 1 1 343.858 3.597 20 30 EHEDMO CC[NH+](CC)[C@@H](C(=O)OCc1cccc(C#N)c1F)c1ccccc1 ZINC000774950550 1134142007 /nfs/dbraw/zinc/14/20/07/1134142007.db2.gz UONPGOFBMMVWNA-LJQANCHMSA-N 1 1 340.398 3.824 20 30 EHEDMO C[C@H](c1ccccc1)N(C(=O)[C@H]1CCC[N@@H+](C)C1)C1=CC(=O)CCC1 ZINC001186360742 1134201751 /nfs/dbraw/zinc/20/17/51/1134201751.db2.gz QGTKMKGTPJENGN-AEFFLSMTSA-N 1 1 340.467 3.555 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)CCSc2ccc(C)c(C)c2)n1 ZINC000789330106 1134258104 /nfs/dbraw/zinc/25/81/04/1134258104.db2.gz WPMYHBJBIWKNFO-UHFFFAOYSA-N 1 1 327.497 3.747 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)CCSc2ccc(C)c(C)c2)n1 ZINC000789330106 1134258107 /nfs/dbraw/zinc/25/81/07/1134258107.db2.gz WPMYHBJBIWKNFO-UHFFFAOYSA-N 1 1 327.497 3.747 20 30 EHEDMO COCC[N@@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)[C@H]1CC[C@H](C)C1 ZINC000790475611 1134422021 /nfs/dbraw/zinc/42/20/21/1134422021.db2.gz BLNGZTJTOWXNFD-LPHOPBHVSA-N 1 1 338.455 3.516 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)NCC[N@@H+]2CCC[C@@H](F)C2)c1 ZINC001189281253 1134560797 /nfs/dbraw/zinc/56/07/97/1134560797.db2.gz FVENDCJCLWVZEJ-GOSISDBHSA-N 1 1 347.478 3.688 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)NCC[N@H+]2CCC[C@@H](F)C2)c1 ZINC001189281253 1134560802 /nfs/dbraw/zinc/56/08/02/1134560802.db2.gz FVENDCJCLWVZEJ-GOSISDBHSA-N 1 1 347.478 3.688 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC001189259500 1134564217 /nfs/dbraw/zinc/56/42/17/1134564217.db2.gz VLYUQTCYPKSFNI-JKSUJKDBSA-N 1 1 329.488 3.689 20 30 EHEDMO C=C(C)Cc1ccc(C(=O)N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)cc1 ZINC001190224478 1134669022 /nfs/dbraw/zinc/66/90/22/1134669022.db2.gz OVXONEDRFOKUII-QFIPXVFZSA-N 1 1 346.474 3.860 20 30 EHEDMO C=C(C)Cc1ccc(C(=O)N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)cc1 ZINC001190224478 1134669026 /nfs/dbraw/zinc/66/90/26/1134669026.db2.gz OVXONEDRFOKUII-QFIPXVFZSA-N 1 1 346.474 3.860 20 30 EHEDMO C#CC[C@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1ccccc1 ZINC000775398324 1134725304 /nfs/dbraw/zinc/72/53/04/1134725304.db2.gz GKLLAZBVHACEBY-HNNXBMFYSA-N 1 1 349.459 3.740 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC001190698744 1134734000 /nfs/dbraw/zinc/73/40/00/1134734000.db2.gz ATQJITPMDSFNLG-OAQYLSRUSA-N 1 1 334.463 3.831 20 30 EHEDMO Cc1nnc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C#N)c1C ZINC001170330742 1134750815 /nfs/dbraw/zinc/75/08/15/1134750815.db2.gz SZLBBIQBCVKXLU-LDLYASANSA-N 1 1 347.466 3.573 20 30 EHEDMO COC(=O)C1([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCCCC1 ZINC001170359721 1134755563 /nfs/dbraw/zinc/75/55/63/1134755563.db2.gz DYUWRGUAYLLESV-UHFFFAOYSA-N 1 1 340.467 3.856 20 30 EHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@H](N3CCCCC3)C2)CC1 ZINC001170388851 1134762572 /nfs/dbraw/zinc/76/25/72/1134762572.db2.gz HTJATCCFNWEKFB-ORFBVSJDSA-N 1 1 337.511 3.951 20 30 EHEDMO N#CC1(c2ccccc2)CCC(N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC001170388851 1134762574 /nfs/dbraw/zinc/76/25/74/1134762574.db2.gz HTJATCCFNWEKFB-ORFBVSJDSA-N 1 1 337.511 3.951 20 30 EHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@@](F)(CO)CC2)CC1 ZINC001170379423 1134767227 /nfs/dbraw/zinc/76/72/27/1134767227.db2.gz XTNATOUSDWQWDM-MHJFOBGBSA-N 1 1 330.447 3.577 20 30 EHEDMO CN(C)c1ccc(C[N@H+](CCC#N)CC2CC2)c(C(F)(F)F)c1 ZINC000792813659 1134795189 /nfs/dbraw/zinc/79/51/89/1134795189.db2.gz URYJADYOYNDKIK-UHFFFAOYSA-N 1 1 325.378 3.897 20 30 EHEDMO CN(C)c1ccc(C[N@@H+](CCC#N)CC2CC2)c(C(F)(F)F)c1 ZINC000792813659 1134795195 /nfs/dbraw/zinc/79/51/95/1134795195.db2.gz URYJADYOYNDKIK-UHFFFAOYSA-N 1 1 325.378 3.897 20 30 EHEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC2(C1)CCCCC2 ZINC001191201537 1134815296 /nfs/dbraw/zinc/81/52/96/1134815296.db2.gz AGODGCHAYQVURG-IDYZSHNDSA-N 1 1 345.531 3.962 20 30 EHEDMO Cc1cccc(OC[C@H](O)C[N@@H+](Cc2cccc(C#N)c2)C(C)C)c1 ZINC001191204891 1134816753 /nfs/dbraw/zinc/81/67/53/1134816753.db2.gz WMIVVVZKCZLSMQ-HXUWFJFHSA-N 1 1 338.451 3.517 20 30 EHEDMO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2cnc[nH]2)cc1 ZINC000793041997 1134841230 /nfs/dbraw/zinc/84/12/30/1134841230.db2.gz DFODKTRVCOOXDW-IBGZPJMESA-N 1 1 330.391 3.636 20 30 EHEDMO COc1ccc(C[NH2+]Cc2c(F)cccc2Br)cc1C#N ZINC000793027340 1134844855 /nfs/dbraw/zinc/84/48/55/1134844855.db2.gz HPFYVXNNPWZUEC-UHFFFAOYSA-N 1 1 349.203 3.758 20 30 EHEDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC001191443678 1134867411 /nfs/dbraw/zinc/86/74/11/1134867411.db2.gz FIKBDJOYWBLAOT-WOJBJXKFSA-N 1 1 326.484 3.776 20 30 EHEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC001191617706 1134891891 /nfs/dbraw/zinc/89/18/91/1134891891.db2.gz PLBXNLROMMGFGS-KRWDZBQOSA-N 1 1 347.503 3.521 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(CNc2cc[nH+]cc2Br)c1 ZINC000775476994 1134914933 /nfs/dbraw/zinc/91/49/33/1134914933.db2.gz KNIROASJKKVQJQ-CYBMUJFWSA-N 1 1 346.228 3.559 20 30 EHEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC001191743658 1134916589 /nfs/dbraw/zinc/91/65/89/1134916589.db2.gz VOWSCGDEYNSYPF-RTBURBONSA-N 1 1 330.472 3.853 20 30 EHEDMO C#C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccc(Cl)cc1F ZINC000804417799 1135071478 /nfs/dbraw/zinc/07/14/78/1135071478.db2.gz UDKCMBYVDPTYCB-MSOLQXFVSA-N 1 1 348.849 3.677 20 30 EHEDMO CCC[N@H+](CCc1cccs1)[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC001193141761 1135109091 /nfs/dbraw/zinc/10/90/91/1135109091.db2.gz NPIZQZCKHFOICM-GOSISDBHSA-N 1 1 342.464 3.789 20 30 EHEDMO CCC[N@@H+](CCc1cccs1)[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC001193141761 1135109092 /nfs/dbraw/zinc/10/90/92/1135109092.db2.gz NPIZQZCKHFOICM-GOSISDBHSA-N 1 1 342.464 3.789 20 30 EHEDMO C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001129786477 1135161854 /nfs/dbraw/zinc/16/18/54/1135161854.db2.gz WESTUUXWCINBFR-FCHUYYIVSA-N 1 1 348.490 3.812 20 30 EHEDMO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1CC1CCC(C#N)CC1 ZINC001193675951 1135169656 /nfs/dbraw/zinc/16/96/56/1135169656.db2.gz USUDFDUOOUGSAJ-RYTJFDOTSA-N 1 1 335.492 3.646 20 30 EHEDMO C=CC[C@@H]1[N@H+](CC(=O)Nc2ccc(C(C)=O)cc2)CCCC1(C)C ZINC001193920282 1135203876 /nfs/dbraw/zinc/20/38/76/1135203876.db2.gz LNODDFFVZPTTAU-SFHVURJKSA-N 1 1 328.456 3.894 20 30 EHEDMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2ccc(C(C)=O)cc2)CCCC1(C)C ZINC001193920282 1135203882 /nfs/dbraw/zinc/20/38/82/1135203882.db2.gz LNODDFFVZPTTAU-SFHVURJKSA-N 1 1 328.456 3.894 20 30 EHEDMO CCCCCCCOC(=O)NC1CC[NH+](CC(=O)C(C)(C)C)CC1 ZINC001194019116 1135214914 /nfs/dbraw/zinc/21/49/14/1135214914.db2.gz BWHUTSURQGIXIM-UHFFFAOYSA-N 1 1 340.508 3.763 20 30 EHEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC001194100481 1135233396 /nfs/dbraw/zinc/23/33/96/1135233396.db2.gz BPZKVCQUAYHWRC-IBGZPJMESA-N 1 1 327.855 3.881 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C3CCC3)C2)cc1Cl ZINC001195147486 1135377724 /nfs/dbraw/zinc/37/77/24/1135377724.db2.gz MXROTIIYXCBLOC-OAHLLOKOSA-N 1 1 331.847 3.662 20 30 EHEDMO Cc1cc(Br)cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1O ZINC000775648376 1135405463 /nfs/dbraw/zinc/40/54/63/1135405463.db2.gz GLOVYRVLWPCWEC-UHFFFAOYSA-N 1 1 345.240 3.967 20 30 EHEDMO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001195796459 1135471554 /nfs/dbraw/zinc/47/15/54/1135471554.db2.gz FWWDCGFQDAXZJA-INIZCTEOSA-N 1 1 332.419 3.784 20 30 EHEDMO COc1cccc(O)c1/C=N/C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000747362059 1135499314 /nfs/dbraw/zinc/49/93/14/1135499314.db2.gz KUENMHUQUHTZOZ-SLDJAQPHSA-N 1 1 344.480 3.793 20 30 EHEDMO C=CC[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)C1 ZINC001196441299 1135557681 /nfs/dbraw/zinc/55/76/81/1135557681.db2.gz KZQRLDSJJSHHEM-HZPDHXFCSA-N 1 1 326.440 3.850 20 30 EHEDMO C#C[C@@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1F ZINC000807689450 1135563158 /nfs/dbraw/zinc/56/31/58/1135563158.db2.gz RJTYUZRTLYBVIL-WMLDXEAASA-N 1 1 336.838 3.534 20 30 EHEDMO CN(C)c1ccccc1C[N@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000808235432 1135639275 /nfs/dbraw/zinc/63/92/75/1135639275.db2.gz PLHYCJVNVMECGC-UHFFFAOYSA-N 1 1 345.450 3.577 20 30 EHEDMO CN(C)c1ccccc1C[N@@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000808235432 1135639276 /nfs/dbraw/zinc/63/92/76/1135639276.db2.gz PLHYCJVNVMECGC-UHFFFAOYSA-N 1 1 345.450 3.577 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+](CC(C)C)C2CC2)cc1C ZINC000747525105 1135720274 /nfs/dbraw/zinc/72/02/74/1135720274.db2.gz YXTSOIAIWYCJSS-UHFFFAOYSA-N 1 1 327.472 3.671 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000808778482 1135735201 /nfs/dbraw/zinc/73/52/01/1135735201.db2.gz YGZCUDAIYHYNHY-IEBWSBKVSA-N 1 1 339.483 3.752 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001198676504 1135846263 /nfs/dbraw/zinc/84/62/63/1135846263.db2.gz SCQNZBDFFWNOEQ-SJLPKXTDSA-N 1 1 334.847 3.776 20 30 EHEDMO C#CC[NH+]1CCC(c2nc([C@H](c3ccc(C)cc3)C(C)C)no2)CC1 ZINC000809507786 1135846494 /nfs/dbraw/zinc/84/64/94/1135846494.db2.gz KKKGUEKGIZPZEF-IBGZPJMESA-N 1 1 337.467 3.979 20 30 EHEDMO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000809691854 1135866998 /nfs/dbraw/zinc/86/69/98/1135866998.db2.gz SGUNSWVELPXPEX-CQSZACIVSA-N 1 1 335.473 3.501 20 30 EHEDMO CCCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000809691854 1135867001 /nfs/dbraw/zinc/86/70/01/1135867001.db2.gz SGUNSWVELPXPEX-CQSZACIVSA-N 1 1 335.473 3.501 20 30 EHEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000809938432 1135902366 /nfs/dbraw/zinc/90/23/66/1135902366.db2.gz ARJLIIZDNPWICC-ULQDDVLXSA-N 1 1 337.508 3.799 20 30 EHEDMO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@@H](CC)CCCCCC ZINC001170592913 1135908633 /nfs/dbraw/zinc/90/86/33/1135908633.db2.gz OBETZWVFBHRWQD-FUHWJXTLSA-N 1 1 334.508 3.666 20 30 EHEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CCCC2)c1 ZINC000810033908 1135917374 /nfs/dbraw/zinc/91/73/74/1135917374.db2.gz NJYKCIKMCPIHDP-IBGZPJMESA-N 1 1 341.455 3.582 20 30 EHEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810077345 1135918417 /nfs/dbraw/zinc/91/84/17/1135918417.db2.gz GNAWSMPSNZHXGS-HXUWFJFHSA-N 1 1 345.462 3.509 20 30 EHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(C(=O)OCc3ccccc3)cc2)o1 ZINC000810167795 1135929651 /nfs/dbraw/zinc/92/96/51/1135929651.db2.gz OOHLIUIMRHWWTG-UHFFFAOYSA-N 1 1 346.386 3.798 20 30 EHEDMO C#CCOc1ccc([C@@H](C)OC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC000810575789 1135977300 /nfs/dbraw/zinc/97/73/00/1135977300.db2.gz JQFGWRXWBVWTOI-QRWLVFNGSA-N 1 1 347.430 3.515 20 30 EHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN=Nc1ccc([N+](=O)[O-])cn1 ZINC000747632751 1136007524 /nfs/dbraw/zinc/00/75/24/1136007524.db2.gz ICOWGZTUXMXKFQ-UHFFFAOYSA-N 1 1 341.415 3.546 20 30 EHEDMO C=CCC[C@H]([NH2+]Cc1cn(Cc2cccnc2)nn1)c1ccccc1 ZINC001201557224 1136039826 /nfs/dbraw/zinc/03/98/26/1136039826.db2.gz HXSXVSWARMGYIX-FQEVSTJZSA-N 1 1 333.439 3.519 20 30 EHEDMO CCCCCCCCC[N@H+]1C[C@H]2CN(Cc3ccncc3)C(=O)[C@H]2C1 ZINC001201840304 1136069835 /nfs/dbraw/zinc/06/98/35/1136069835.db2.gz XYIXNZZMJMWCES-PMACEKPBSA-N 1 1 343.515 3.722 20 30 EHEDMO CCCCCCCCC[N@@H+]1CCc2onc(C(=O)NC(C)C)c2C1 ZINC001201845961 1136070570 /nfs/dbraw/zinc/07/05/70/1136070570.db2.gz BFDFDQRLDSZEBH-UHFFFAOYSA-N 1 1 335.492 3.922 20 30 EHEDMO CCCCCCCCC[N@H+]1CCc2onc(C(=O)NC(C)C)c2C1 ZINC001201845961 1136070573 /nfs/dbraw/zinc/07/05/73/1136070573.db2.gz BFDFDQRLDSZEBH-UHFFFAOYSA-N 1 1 335.492 3.922 20 30 EHEDMO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=NNC[C@@H]2CCSC2)C3)cc1 ZINC000811659173 1136114520 /nfs/dbraw/zinc/11/45/20/1136114520.db2.gz SPHJXUINIZAIEV-YTQUADARSA-N 1 1 329.513 3.512 20 30 EHEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cc(COC)cs1 ZINC000850377208 1136245116 /nfs/dbraw/zinc/24/51/16/1136245116.db2.gz BKKLIHKBRXLLRH-UHFFFAOYSA-N 1 1 335.856 3.850 20 30 EHEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812849977 1136261451 /nfs/dbraw/zinc/26/14/51/1136261451.db2.gz SCUMYQHFEKCLOV-UTKZUKDTSA-N 1 1 338.451 3.771 20 30 EHEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000852333416 1136450032 /nfs/dbraw/zinc/45/00/32/1136450032.db2.gz LTNVOMOMQBLMSR-LJQANCHMSA-N 1 1 325.843 3.835 20 30 EHEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000852333416 1136450034 /nfs/dbraw/zinc/45/00/34/1136450034.db2.gz LTNVOMOMQBLMSR-LJQANCHMSA-N 1 1 325.843 3.835 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852526927 1136462634 /nfs/dbraw/zinc/46/26/34/1136462634.db2.gz BMLHWIHCXDPGDK-PCVOSPCESA-N 1 1 341.455 3.608 20 30 EHEDMO C#CCC[N@H+](CCOC)Cc1c(-c2ccccc2)nc2sccn12 ZINC000852753086 1136483720 /nfs/dbraw/zinc/48/37/20/1136483720.db2.gz WLSUEDZQKBFXPR-UHFFFAOYSA-N 1 1 339.464 3.535 20 30 EHEDMO C[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000747967063 1136487862 /nfs/dbraw/zinc/48/78/62/1136487862.db2.gz IGSYKGIUQPKQBI-MAUKXSAKSA-N 1 1 343.471 3.683 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+](CC3(C#N)CC3)C2)C1 ZINC000814674358 1136488972 /nfs/dbraw/zinc/48/89/72/1136488972.db2.gz PDNLHCNQLBFZDM-DLBZAZTESA-N 1 1 347.503 3.649 20 30 EHEDMO CC1(C)CC(=[NH+]NCc2cnc3ccccc3c2)c2cc(N)ccc2O1 ZINC000814876808 1136518756 /nfs/dbraw/zinc/51/87/56/1136518756.db2.gz IXDSYKBNOPJRJQ-UHFFFAOYSA-N 1 1 346.434 3.872 20 30 EHEDMO CCC1(CC)CCC[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000853562559 1136543835 /nfs/dbraw/zinc/54/38/35/1136543835.db2.gz ARYSDWCSXCADBU-UHFFFAOYSA-N 1 1 337.471 3.985 20 30 EHEDMO Cc1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)ccc1N(C)C ZINC000815078331 1136548526 /nfs/dbraw/zinc/54/85/26/1136548526.db2.gz WZFDRFQGUKLQLH-OAQYLSRUSA-N 1 1 335.451 3.506 20 30 EHEDMO Cc1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)ccc1N(C)C ZINC000815078331 1136548528 /nfs/dbraw/zinc/54/85/28/1136548528.db2.gz WZFDRFQGUKLQLH-OAQYLSRUSA-N 1 1 335.451 3.506 20 30 EHEDMO N#Cc1ccc(F)c(COC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000815444257 1136595512 /nfs/dbraw/zinc/59/55/12/1136595512.db2.gz XQTHBSDPDKOHQK-GOSISDBHSA-N 1 1 330.403 3.538 20 30 EHEDMO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1cccc(C#N)c1 ZINC000815446950 1136596179 /nfs/dbraw/zinc/59/61/79/1136596179.db2.gz IICUQZWWJXXQLZ-HNAYVOBHSA-N 1 1 326.440 3.960 20 30 EHEDMO N#Cc1cc(F)ccc1COC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000815445239 1136596290 /nfs/dbraw/zinc/59/62/90/1136596290.db2.gz VBBZIGLBHWWFDZ-SFHVURJKSA-N 1 1 330.403 3.538 20 30 EHEDMO C=CCC(F)(F)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000815744024 1136633174 /nfs/dbraw/zinc/63/31/74/1136633174.db2.gz FJBGQYCMDSBWKI-LJQANCHMSA-N 1 1 348.437 3.713 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000776787959 1136665800 /nfs/dbraw/zinc/66/58/00/1136665800.db2.gz YIRAFIYRVLRTQL-KRWDZBQOSA-N 1 1 343.471 3.603 20 30 EHEDMO Cc1oc(C#N)cc1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000816451869 1136722242 /nfs/dbraw/zinc/72/22/42/1136722242.db2.gz SQBDXXAIPRJTBU-IFXJQAMLSA-N 1 1 338.407 3.527 20 30 EHEDMO C#Cc1ccccc1CC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000816451993 1136722440 /nfs/dbraw/zinc/72/24/40/1136722440.db2.gz UQYPFCAUWQOMRH-AVRDEDQJSA-N 1 1 347.458 3.664 20 30 EHEDMO C[C@@H](NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)c1ccc(C#N)cc1 ZINC000856882525 1136820183 /nfs/dbraw/zinc/82/01/83/1136820183.db2.gz ULKDKHZFAZUXPT-IERDGZPVSA-N 1 1 347.462 3.858 20 30 EHEDMO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+](CC(C)(C)CCC#N)C2 ZINC000857069778 1136840637 /nfs/dbraw/zinc/84/06/37/1136840637.db2.gz SOSGGLKVNYCJSG-DNVCBOLYSA-N 1 1 335.492 3.696 20 30 EHEDMO Cc1ccc(C#N)cc1NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857086468 1136842961 /nfs/dbraw/zinc/84/29/61/1136842961.db2.gz SLSCJVSWGCIQBS-IBGZPJMESA-N 1 1 333.435 3.928 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000817919737 1136846082 /nfs/dbraw/zinc/84/60/82/1136846082.db2.gz VIJHZFXEGBUQBI-YTQUADARSA-N 1 1 329.488 3.768 20 30 EHEDMO Cn1cc(N=NC[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000857210132 1136854075 /nfs/dbraw/zinc/85/40/75/1136854075.db2.gz VFWYYIRZXXHYGI-HXUWFJFHSA-N 1 1 339.487 3.756 20 30 EHEDMO C[N@H+]1CCC[C@H](c2cccc(C(=O)N3Cc4ccc(C#N)cc4C3)c2)C1 ZINC000857298899 1136860950 /nfs/dbraw/zinc/86/09/50/1136860950.db2.gz LOXOMMYBHSAGSW-IBGZPJMESA-N 1 1 345.446 3.523 20 30 EHEDMO C[C@@H](N[NH+]=Cc1ccc(N(C)C)cc1C(F)(F)F)c1ccncc1 ZINC000819816030 1136962083 /nfs/dbraw/zinc/96/20/83/1136962083.db2.gz FSBKMRHSSRUVJR-GFCCVEGCSA-N 1 1 336.361 3.851 20 30 EHEDMO C=CC[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000859446160 1137015233 /nfs/dbraw/zinc/01/52/33/1137015233.db2.gz VPAYZZOLBYNYAB-NHYWBVRUSA-N 1 1 328.225 3.520 20 30 EHEDMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)OCCCCC#N ZINC000859959274 1137038853 /nfs/dbraw/zinc/03/88/53/1137038853.db2.gz FSZDCOLJGHQNHE-RTBURBONSA-N 1 1 328.456 3.772 20 30 EHEDMO O[C@H](C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cccc(F)c1 ZINC000117351617 1137052848 /nfs/dbraw/zinc/05/28/48/1137052848.db2.gz BMZVITCTSCVDBK-LLVKDONJSA-N 1 1 345.258 3.676 20 30 EHEDMO O[C@H](C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cccc(F)c1 ZINC000117351617 1137052850 /nfs/dbraw/zinc/05/28/50/1137052850.db2.gz BMZVITCTSCVDBK-LLVKDONJSA-N 1 1 345.258 3.676 20 30 EHEDMO C[NH+]1CCN(c2ccc(NC3CCC(C)(C#N)CC3)cc2Cl)CC1 ZINC000823538712 1137103671 /nfs/dbraw/zinc/10/36/71/1137103671.db2.gz SSVMPEAQRVAYNN-UHFFFAOYSA-N 1 1 346.906 3.976 20 30 EHEDMO CCCCCCCNC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000862358931 1137140139 /nfs/dbraw/zinc/14/01/39/1137140139.db2.gz AVSZSKKXFJOAIR-UHFFFAOYSA-N 1 1 337.533 3.750 20 30 EHEDMO C#CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000824695975 1137148754 /nfs/dbraw/zinc/14/87/54/1137148754.db2.gz FUCADWVCRTZJTA-PWRODBHTSA-N 1 1 327.468 3.604 20 30 EHEDMO COC(=O)C1(C#N)CC[NH+](Cc2cccc(-c3ccccc3C)c2)CC1 ZINC000824867583 1137155192 /nfs/dbraw/zinc/15/51/92/1137155192.db2.gz SCMJHPIIEBBERM-UHFFFAOYSA-N 1 1 348.446 3.941 20 30 EHEDMO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC001136996396 1137168259 /nfs/dbraw/zinc/16/82/59/1137168259.db2.gz FWHXIGOVUGDMQS-QGZVFWFLSA-N 1 1 327.815 3.650 20 30 EHEDMO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2cncc(Cl)c2)C1 ZINC001136996396 1137168261 /nfs/dbraw/zinc/16/82/61/1137168261.db2.gz FWHXIGOVUGDMQS-QGZVFWFLSA-N 1 1 327.815 3.650 20 30 EHEDMO C[C@@H]1C[NH+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@@H](C)C1(F)F ZINC000863274841 1137179119 /nfs/dbraw/zinc/17/91/19/1137179119.db2.gz MXXVXDSVNUJNKB-ZIAGYGMSSA-N 1 1 330.382 3.602 20 30 EHEDMO C/C=C\C[C@@H]1CCC[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000863339572 1137181482 /nfs/dbraw/zinc/18/14/82/1137181482.db2.gz DKTLKAFQYKPTFM-CWIOURORSA-N 1 1 335.455 3.761 20 30 EHEDMO C#C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)c1ccc(Cl)cc1F ZINC000843884686 1137186557 /nfs/dbraw/zinc/18/65/57/1137186557.db2.gz UOTHWPMKVLILTH-LRDDRELGSA-N 1 1 347.821 3.680 20 30 EHEDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CCc2ccc(Cl)cc21 ZINC000844395817 1137217061 /nfs/dbraw/zinc/21/70/61/1137217061.db2.gz DWAKPDVKJVHEBE-JLTOFOAXSA-N 1 1 340.854 3.907 20 30 EHEDMO C[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844403666 1137217537 /nfs/dbraw/zinc/21/75/37/1137217537.db2.gz XIMIVNYHYDQWCD-HZPDHXFCSA-N 1 1 337.508 3.942 20 30 EHEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@H]2NC(=O)c3ccccc32)cc1 ZINC001171129931 1137231111 /nfs/dbraw/zinc/23/11/11/1137231111.db2.gz NRWZCVIHEUQFFP-PMACEKPBSA-N 1 1 333.435 3.864 20 30 EHEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171133557 1137234237 /nfs/dbraw/zinc/23/42/37/1137234237.db2.gz NAFWKAJCMQOOFY-ROUUACIJSA-N 1 1 348.874 3.574 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001144568387 1137311232 /nfs/dbraw/zinc/31/12/32/1137311232.db2.gz SYKFDYLXDJTAKV-OAQYLSRUSA-N 1 1 340.467 3.643 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001144568114 1137311487 /nfs/dbraw/zinc/31/14/87/1137311487.db2.gz LPLGCEUYGQLPRZ-NRFANRHFSA-N 1 1 340.467 3.643 20 30 EHEDMO C#Cc1ccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001144576166 1137311878 /nfs/dbraw/zinc/31/18/78/1137311878.db2.gz DATSUXUPPSXQFU-HSZRJFAPSA-N 1 1 330.475 3.766 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001144576166 1137311880 /nfs/dbraw/zinc/31/18/80/1137311880.db2.gz DATSUXUPPSXQFU-HSZRJFAPSA-N 1 1 330.475 3.766 20 30 EHEDMO CCOc1c(Cl)cccc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846008214 1137325274 /nfs/dbraw/zinc/32/52/74/1137325274.db2.gz UAAIBYOFCLZWLC-SFHVURJKSA-N 1 1 344.842 3.776 20 30 EHEDMO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866218761 1137335776 /nfs/dbraw/zinc/33/57/76/1137335776.db2.gz XJZYKHKQXWPSKZ-STQMWFEESA-N 1 1 326.396 3.693 20 30 EHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc2nonc2c1 ZINC000846899665 1137374553 /nfs/dbraw/zinc/37/45/53/1137374553.db2.gz QNBLXJHFCIRBTB-UHFFFAOYSA-N 1 1 325.416 3.579 20 30 EHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc2nonc2c1 ZINC000846899665 1137374556 /nfs/dbraw/zinc/37/45/56/1137374556.db2.gz QNBLXJHFCIRBTB-UHFFFAOYSA-N 1 1 325.416 3.579 20 30 EHEDMO C=C(Br)C[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000847041763 1137384604 /nfs/dbraw/zinc/38/46/04/1137384604.db2.gz WFMSBHDXGWOBNZ-UHFFFAOYSA-N 1 1 332.245 3.718 20 30 EHEDMO CC(C)[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C(C)(C)CCC#N)cc2)C1 ZINC001148906393 1137437421 /nfs/dbraw/zinc/43/74/21/1137437421.db2.gz PDYRJRPNZKUYJG-IBGZPJMESA-N 1 1 341.499 3.823 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(C)(C)CCC#N)cc1 ZINC001148912671 1137437740 /nfs/dbraw/zinc/43/77/40/1137437740.db2.gz WVZGREKRHCWNTG-IBGZPJMESA-N 1 1 339.483 3.648 20 30 EHEDMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CCCCC#N)C[C@H]1c1ccccc1 ZINC000282763240 1137446476 /nfs/dbraw/zinc/44/64/76/1137446476.db2.gz OJALAKYLEILOGS-ZWKOTPCHSA-N 1 1 343.471 3.673 20 30 EHEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(F)cc(Br)c2F)no1 ZINC001247622783 1137468830 /nfs/dbraw/zinc/46/88/30/1137468830.db2.gz RXPXWYOHNNEWEO-JTQLQIEISA-N 1 1 344.159 3.743 20 30 EHEDMO C=CC[C@H]1CCC[N@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC001171841585 1137515357 /nfs/dbraw/zinc/51/53/57/1137515357.db2.gz QDSRPAGLCFVQMF-LBPRGKRZSA-N 1 1 338.245 3.966 20 30 EHEDMO N#C[C@@H]1CCC[N@H+](C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001171996985 1137522752 /nfs/dbraw/zinc/52/27/52/1137522752.db2.gz SASRCGKKPRCKGN-AWEZNQCLSA-N 1 1 348.288 3.653 20 30 EHEDMO N#C[C@H]1CCC[N@H+](C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001171996986 1137522829 /nfs/dbraw/zinc/52/28/29/1137522829.db2.gz SASRCGKKPRCKGN-CQSZACIVSA-N 1 1 348.288 3.653 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC3(CCC3)C2)cc1 ZINC000123608154 1137540713 /nfs/dbraw/zinc/54/07/13/1137540713.db2.gz MROINXAPIRXNAJ-KRWDZBQOSA-N 1 1 325.456 3.506 20 30 EHEDMO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CC[C@H](C#N)C2)CC1 ZINC001172216535 1137541851 /nfs/dbraw/zinc/54/18/51/1137541851.db2.gz VCTOKKBYYZDWSH-ZCGYKAAXSA-N 1 1 346.858 3.539 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001172305423 1137545431 /nfs/dbraw/zinc/54/54/31/1137545431.db2.gz DJBCVQHYJCUBAI-KSSFIOAISA-N 1 1 342.389 3.921 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001172308177 1137545689 /nfs/dbraw/zinc/54/56/89/1137545689.db2.gz IXTIVSAMWQZJRF-WMLDXEAASA-N 1 1 330.428 3.515 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1CC(=O)OC(C)(C)C ZINC001172309655 1137545922 /nfs/dbraw/zinc/54/59/22/1137545922.db2.gz AZRXJUCZVIQKST-QAPCUYQASA-N 1 1 328.456 3.685 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001172310897 1137545985 /nfs/dbraw/zinc/54/59/85/1137545985.db2.gz LGZVYDJANVHPPN-VBKZILBWSA-N 1 1 342.389 3.841 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001172310897 1137545987 /nfs/dbraw/zinc/54/59/87/1137545987.db2.gz LGZVYDJANVHPPN-VBKZILBWSA-N 1 1 342.389 3.841 20 30 EHEDMO CCOC(=O)[C@]1(C)CCCC[N@H+]([C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172314275 1137546575 /nfs/dbraw/zinc/54/65/75/1137546575.db2.gz IJRUEWQZHIBYIT-OXJNMPFZSA-N 1 1 328.456 3.545 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2csc(-c3ccco3)n2)cc1 ZINC000124843562 1137610976 /nfs/dbraw/zinc/61/09/76/1137610976.db2.gz ZFAKVFPLYGUCHX-ZDUSSCGKSA-N 1 1 339.420 3.984 20 30 EHEDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccccc1-c1ccccc1C#N ZINC000874849422 1137624644 /nfs/dbraw/zinc/62/46/44/1137624644.db2.gz XYXIJCCVQAMNDP-LEWJYISDSA-N 1 1 345.446 3.534 20 30 EHEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000125330933 1137630712 /nfs/dbraw/zinc/63/07/12/1137630712.db2.gz LAJVGPNNIAFQDB-BFYDXBDKSA-N 1 1 348.450 3.734 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cc(C#N)cnc2Cl)C1 ZINC000876643204 1137658049 /nfs/dbraw/zinc/65/80/49/1137658049.db2.gz AGFRNYVIVKXPBW-CVEARBPZSA-N 1 1 346.906 3.693 20 30 EHEDMO CCC[N@@H+](Cc1cc(C#N)cnc1Cl)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000876758431 1137660543 /nfs/dbraw/zinc/66/05/43/1137660543.db2.gz IXHCMALZIVGCJM-OAGGEKHMSA-N 1 1 333.863 3.632 20 30 EHEDMO CC(C)(C)OC(=O)NCc1cccc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000877312009 1137674127 /nfs/dbraw/zinc/67/41/27/1137674127.db2.gz BVWUVJCGLBTAMV-HXUWFJFHSA-N 1 1 343.471 3.837 20 30 EHEDMO CC(C)(C)OC(=O)NCc1cccc(C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000877312009 1137674128 /nfs/dbraw/zinc/67/41/28/1137674128.db2.gz BVWUVJCGLBTAMV-HXUWFJFHSA-N 1 1 343.471 3.837 20 30 EHEDMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2cc(C#N)cnc2Cl)CC1 ZINC000877376356 1137674965 /nfs/dbraw/zinc/67/49/65/1137674965.db2.gz HDMBTRIJHHRFNY-ZDUSSCGKSA-N 1 1 346.887 3.547 20 30 EHEDMO C[C@@H]1C[N@H+](C2CCC(C#N)CC2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000877539724 1137680335 /nfs/dbraw/zinc/68/03/35/1137680335.db2.gz PCXOWBZAPHKNJI-GKSFYBEXSA-N 1 1 335.492 3.551 20 30 EHEDMO COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3cc(C#N)cnc3Cl)C2)c1 ZINC000877574741 1137681751 /nfs/dbraw/zinc/68/17/51/1137681751.db2.gz UDCIQCSTBDFUMP-JCNLHEQBSA-N 1 1 341.842 3.993 20 30 EHEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3cc(C#N)cnc3Cl)C2)c1 ZINC000877574741 1137681752 /nfs/dbraw/zinc/68/17/52/1137681752.db2.gz UDCIQCSTBDFUMP-JCNLHEQBSA-N 1 1 341.842 3.993 20 30 EHEDMO CC(C)(C)OC(=O)N1CCCC[C@@H](C[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000877622793 1137683357 /nfs/dbraw/zinc/68/33/57/1137683357.db2.gz ULTDXVRFCLVXGJ-IRXDYDNUSA-N 1 1 335.492 3.649 20 30 EHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cnc([C@H]2CCCO2)s1 ZINC000877704215 1137686361 /nfs/dbraw/zinc/68/63/61/1137686361.db2.gz LARJUKWURMNYJV-QGZVFWFLSA-N 1 1 327.453 3.541 20 30 EHEDMO CC[N@H+](Cc1nnc(-c2ccccc2O)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000877991456 1137698727 /nfs/dbraw/zinc/69/87/27/1137698727.db2.gz QDEZGYPRFJYBCI-AWEZNQCLSA-N 1 1 348.406 3.897 20 30 EHEDMO CC[N@@H+](Cc1nnc(-c2ccccc2O)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000877991456 1137698728 /nfs/dbraw/zinc/69/87/28/1137698728.db2.gz QDEZGYPRFJYBCI-AWEZNQCLSA-N 1 1 348.406 3.897 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@@H]1c1cccc(C)n1)c1ccccc1 ZINC000878199270 1137706956 /nfs/dbraw/zinc/70/69/56/1137706956.db2.gz WHIGCUPOIVCQBZ-YADHBBJMSA-N 1 1 347.462 3.968 20 30 EHEDMO C#C[C@](C)(CC)NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000878305137 1137710530 /nfs/dbraw/zinc/71/05/30/1137710530.db2.gz VLKOOHHQGLDDLQ-HXUWFJFHSA-N 1 1 338.455 3.978 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCc2cc(C)ccc2C1)c1ccccc1 ZINC000878498143 1137718027 /nfs/dbraw/zinc/71/80/27/1137718027.db2.gz FUXYZVQAUKKIDP-QFIPXVFZSA-N 1 1 332.447 3.794 20 30 EHEDMO Cc1ccc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)c(Cl)n1 ZINC000879022971 1137735571 /nfs/dbraw/zinc/73/55/71/1137735571.db2.gz DQMVASNLXCDLJK-UHFFFAOYSA-N 1 1 326.831 3.690 20 30 EHEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC000879214752 1137741361 /nfs/dbraw/zinc/74/13/61/1137741361.db2.gz DLYGCULZFCERBS-HZPDHXFCSA-N 1 1 337.508 3.799 20 30 EHEDMO Cc1c(F)cccc1NC(=O)CC[N@H+](C)CCc1cccc(C#N)c1 ZINC000879432928 1137747642 /nfs/dbraw/zinc/74/76/42/1137747642.db2.gz LIINLQTUPXKCEX-UHFFFAOYSA-N 1 1 339.414 3.509 20 30 EHEDMO COc1cccc([C@@H]2C[N@H+](Cc3ccccc3C(C)(C)C#N)CCN2)c1 ZINC000879526403 1137749907 /nfs/dbraw/zinc/74/99/07/1137749907.db2.gz ZLDPWGWJZDDTMF-NRFANRHFSA-N 1 1 349.478 3.643 20 30 EHEDMO COc1cccc([C@@H]2C[N@@H+](Cc3ccccc3C(C)(C)C#N)CCN2)c1 ZINC000879526403 1137749908 /nfs/dbraw/zinc/74/99/08/1137749908.db2.gz ZLDPWGWJZDDTMF-NRFANRHFSA-N 1 1 349.478 3.643 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCCC(C)(C)C#N ZINC000879755792 1137758231 /nfs/dbraw/zinc/75/82/31/1137758231.db2.gz WQVCGSKCPOHKEJ-CVEARBPZSA-N 1 1 335.492 3.790 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@](C)(C(F)(F)F)C1)c1ccccc1 ZINC000880005451 1137764739 /nfs/dbraw/zinc/76/47/39/1137764739.db2.gz XQNDFSQRZOLOFQ-DLBZAZTESA-N 1 1 338.373 3.701 20 30 EHEDMO C=CCCC[C@H]([NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)c1ccccc1 ZINC000880390429 1137777605 /nfs/dbraw/zinc/77/76/05/1137777605.db2.gz RARBWLGBHSZQCQ-PXNSSMCTSA-N 1 1 340.471 3.502 20 30 EHEDMO C=CCCC[C@@H]([NH2+]Cc1cn(C[C@H]2CCOC2)nn1)c1ccccc1 ZINC000880390431 1137777698 /nfs/dbraw/zinc/77/76/98/1137777698.db2.gz RARBWLGBHSZQCQ-YLJYHZDGSA-N 1 1 340.471 3.502 20 30 EHEDMO C#CCC1(O)CC[NH+](Cc2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 ZINC000880480272 1137779904 /nfs/dbraw/zinc/77/99/04/1137779904.db2.gz MMFXKYQTGCWYBN-UHFFFAOYSA-N 1 1 344.842 3.654 20 30 EHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C3CC3)c(C#N)c2)[C@@H](C)C1 ZINC000881125213 1137800725 /nfs/dbraw/zinc/80/07/25/1137800725.db2.gz LOAMLKKWMTXZGM-IFXJQAMLSA-N 1 1 340.471 3.630 20 30 EHEDMO N#C[C@H](c1ccccc1)n1cc(C[NH2+][C@@H]2CCCc3ccccc32)nn1 ZINC000881294741 1137805208 /nfs/dbraw/zinc/80/52/08/1137805208.db2.gz BWAYNTNMDUWJFJ-NHCUHLMSSA-N 1 1 343.434 3.558 20 30 EHEDMO CC1(C#N)CCC(Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000883347489 1137856470 /nfs/dbraw/zinc/85/64/70/1137856470.db2.gz SWNBPYAVSCFVAC-CKHPTIKVSA-N 1 1 338.499 3.855 20 30 EHEDMO CCC[N@@H+](Cc1cn(C)nc1-c1ccncc1)Cc1ccc(C#N)cc1 ZINC000119272956 1137939845 /nfs/dbraw/zinc/93/98/45/1137939845.db2.gz WRIAMVBCDSGRDE-UHFFFAOYSA-N 1 1 345.450 3.766 20 30 EHEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@@H](CSc3ccccc3)C2)CCC1 ZINC000886023495 1138033330 /nfs/dbraw/zinc/03/33/30/1138033330.db2.gz QLMJLRCXNRULOS-SJORKVTESA-N 1 1 330.497 3.545 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000886355305 1138070352 /nfs/dbraw/zinc/07/03/52/1138070352.db2.gz GGVKXSMRMBHKBM-LLVKDONJSA-N 1 1 336.222 3.889 20 30 EHEDMO C[N@@H+](CCCSCC#N)CCc1ccc(Br)cc1 ZINC000074990475 1138125532 /nfs/dbraw/zinc/12/55/32/1138125532.db2.gz WJLKRIXRAPNEQW-UHFFFAOYSA-N 1 1 327.291 3.570 20 30 EHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](Cc4ccccc4)C3)o2)cc1 ZINC000075767095 1138128801 /nfs/dbraw/zinc/12/88/01/1138128801.db2.gz AKRLVRANCYIHKL-SFHVURJKSA-N 1 1 344.418 3.673 20 30 EHEDMO C=CCc1cc(C[NH2+][C@H](COC)c2ccc(C)o2)cc(OC)c1O ZINC000080238896 1138161754 /nfs/dbraw/zinc/16/17/54/1138161754.db2.gz YWUNCPGXFHTMQT-MRXNPFEDSA-N 1 1 331.412 3.508 20 30 EHEDMO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccccc1Cl ZINC000083029490 1138174118 /nfs/dbraw/zinc/17/41/18/1138174118.db2.gz JUVSTUPMOKFDLY-NHYWBVRUSA-N 1 1 345.855 3.729 20 30 EHEDMO C[N@@H+](CCCF)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000887135937 1138220462 /nfs/dbraw/zinc/22/04/62/1138220462.db2.gz CHJJSZUKEIGLTQ-UHFFFAOYSA-N 1 1 337.464 3.509 20 30 EHEDMO COc1ccc(O)c(/C=N/c2cccc([C@H](C)[NH+]3CCOCC3)c2)c1 ZINC000264188305 1138437900 /nfs/dbraw/zinc/43/79/00/1138437900.db2.gz NXHKLYNCXZARRY-HBBMIWKISA-N 1 1 340.423 3.545 20 30 EHEDMO COc1cccc(/C=N/c2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1O ZINC000264204775 1138442828 /nfs/dbraw/zinc/44/28/28/1138442828.db2.gz SKSNUZOIDGCBTR-HFITWMCCSA-N 1 1 340.423 3.545 20 30 EHEDMO C[C@H](C#N)C[N@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000264247280 1138453204 /nfs/dbraw/zinc/45/32/04/1138453204.db2.gz WONNJEUKJPTIJH-MRXNPFEDSA-N 1 1 337.423 3.899 20 30 EHEDMO C[C@H](C#N)C[N@@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000264247280 1138453208 /nfs/dbraw/zinc/45/32/08/1138453208.db2.gz WONNJEUKJPTIJH-MRXNPFEDSA-N 1 1 337.423 3.899 20 30 EHEDMO C=CCN1CC[C@H]([N@H+]2Cc3ccccc3C[C@H]2c2ccccc2)C1=O ZINC000337180051 1138487293 /nfs/dbraw/zinc/48/72/93/1138487293.db2.gz LWOSWMGPHPECPX-SFTDATJTSA-N 1 1 332.447 3.573 20 30 EHEDMO C=CCn1c(S[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nnc1C1CC1 ZINC000283000020 1138490835 /nfs/dbraw/zinc/49/08/35/1138490835.db2.gz KUDGENIAGULWNF-QGZVFWFLSA-N 1 1 340.496 3.708 20 30 EHEDMO C=CCn1c(C(C)C)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000337868256 1138686264 /nfs/dbraw/zinc/68/62/64/1138686264.db2.gz SCFMWLCIASGXBK-HNNXBMFYSA-N 1 1 345.516 3.532 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000264958910 1138687338 /nfs/dbraw/zinc/68/73/38/1138687338.db2.gz FNKAICVQOUEHAH-MRXNPFEDSA-N 1 1 334.423 3.923 20 30 EHEDMO C=CCCCC(=O)N(Cc1ccc(O)cc1)C[C@H]1CCC[N@@H+]1CC ZINC000348463288 1138693710 /nfs/dbraw/zinc/69/37/10/1138693710.db2.gz ABXIOTSUTOXZRP-GOSISDBHSA-N 1 1 330.472 3.561 20 30 EHEDMO CC(C)(C#N)c1ccccc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000135244559 1138737031 /nfs/dbraw/zinc/73/70/31/1138737031.db2.gz CQEXOCZUKMJJQX-IBGZPJMESA-N 1 1 325.500 3.938 20 30 EHEDMO CCOc1ccccc1NC(=O)CC[N@@H+](CCC#N)CC(C)(C)C ZINC000137323754 1138846087 /nfs/dbraw/zinc/84/60/87/1138846087.db2.gz MKRWVSYKSXEPOZ-UHFFFAOYSA-N 1 1 331.460 3.676 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)N(C[C@@H](C)C#N)C2CC2)cc1)C(C)C ZINC000338368637 1138862865 /nfs/dbraw/zinc/86/28/65/1138862865.db2.gz GGPZAYMFJMGWTN-INIZCTEOSA-N 1 1 327.472 3.681 20 30 EHEDMO C#CC[N@@H+](Cc1cc(C(=O)OC)ccc1OC)[C@@H]1CCc2ccccc21 ZINC001137248652 1139007904 /nfs/dbraw/zinc/00/79/04/1139007904.db2.gz GZAJTAGISRAYLI-HXUWFJFHSA-N 1 1 349.430 3.605 20 30 EHEDMO C#CC[N@H+](Cc1cc(C(=O)OC)ccc1OC)[C@@H]1CCc2ccccc21 ZINC001137248652 1139007910 /nfs/dbraw/zinc/00/79/10/1139007910.db2.gz GZAJTAGISRAYLI-HXUWFJFHSA-N 1 1 349.430 3.605 20 30 EHEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(SC)cc1OC ZINC000152643304 1139101590 /nfs/dbraw/zinc/10/15/90/1139101590.db2.gz VTFVPVIZCNXTBG-UHFFFAOYSA-N 1 1 342.464 3.929 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(C)s1 ZINC000175254835 1139475728 /nfs/dbraw/zinc/47/57/28/1139475728.db2.gz LQZAMAUICKWOJM-KBPBESRZSA-N 1 1 349.525 3.767 20 30 EHEDMO COc1ccc(C[N@H+](C)Cc2scnc2C)cc1OCCCC#N ZINC000179429314 1139756495 /nfs/dbraw/zinc/75/64/95/1139756495.db2.gz LHWGTLBDODPWDT-UHFFFAOYSA-N 1 1 345.468 3.775 20 30 EHEDMO COc1ccc(C[N@@H+](C)Cc2scnc2C)cc1OCCCC#N ZINC000179429314 1139756498 /nfs/dbraw/zinc/75/64/98/1139756498.db2.gz LHWGTLBDODPWDT-UHFFFAOYSA-N 1 1 345.468 3.775 20 30 EHEDMO C#CCCCCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000179981099 1139798590 /nfs/dbraw/zinc/79/85/90/1139798590.db2.gz SOJBICXZMANSMX-NHCUHLMSSA-N 1 1 338.495 3.693 20 30 EHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000180802207 1139864759 /nfs/dbraw/zinc/86/47/59/1139864759.db2.gz OJANVEXUGPQALL-ZDUSSCGKSA-N 1 1 328.382 3.869 20 30 EHEDMO COc1ccc(O)c(/C=N\C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000777401242 1140075725 /nfs/dbraw/zinc/07/57/25/1140075725.db2.gz MRQWYKPTAQFWRT-NBOCOGBRSA-N 1 1 338.451 3.874 20 30 EHEDMO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000184523305 1140107421 /nfs/dbraw/zinc/10/74/21/1140107421.db2.gz SOLTUBXUYSZDOP-HNNXBMFYSA-N 1 1 341.480 3.661 20 30 EHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc2c(c1)CCC(=O)N2C ZINC000186916409 1140227591 /nfs/dbraw/zinc/22/75/91/1140227591.db2.gz GVAIQKSRRLRIPM-UHFFFAOYSA-N 1 1 345.446 3.655 20 30 EHEDMO C=CCC[C@@H](C(=O)NCCCCn1cc[nH+]c1C)c1ccccc1 ZINC000189857115 1140367943 /nfs/dbraw/zinc/36/79/43/1140367943.db2.gz FFPAPMCWHMJYNN-LJQANCHMSA-N 1 1 325.456 3.838 20 30 EHEDMO C[C@H]1CN(Cc2ccc(C[NH2+]CC(C)(C)CCC#N)cc2)C[C@H](C)O1 ZINC000266177082 1140651389 /nfs/dbraw/zinc/65/13/89/1140651389.db2.gz DYTRQWROINOAOV-ROUUACIJSA-N 1 1 343.515 3.715 20 30 EHEDMO C=CCCCN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000267320321 1140778477 /nfs/dbraw/zinc/77/84/77/1140778477.db2.gz DIIRHBORGIDWEC-MJGOQNOKSA-N 1 1 329.488 3.505 20 30 EHEDMO C[N@@H+](Cc1ccccc1)C1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000717571412 1140785017 /nfs/dbraw/zinc/78/50/17/1140785017.db2.gz WVJVRHPTENWNGZ-UHFFFAOYSA-N 1 1 337.442 3.794 20 30 EHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)cc1 ZINC000271453664 1141370688 /nfs/dbraw/zinc/37/06/88/1141370688.db2.gz XQQMFIQLSWABMV-SFHVURJKSA-N 1 1 346.434 3.603 20 30 EHEDMO N#Cc1ccc(C2=CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)CC2)cc1 ZINC000348746427 1141574163 /nfs/dbraw/zinc/57/41/63/1141574163.db2.gz GNFVOUSGYZGDNB-OAQYLSRUSA-N 1 1 349.478 3.581 20 30 EHEDMO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000348781332 1141578787 /nfs/dbraw/zinc/57/87/87/1141578787.db2.gz CMAGBTWLRJHYRK-OAHLLOKOSA-N 1 1 328.437 3.672 20 30 EHEDMO C=CCOc1ccc(C[N@H+](CCOC)Cc2cccnc2)cc1Cl ZINC000348960385 1141615525 /nfs/dbraw/zinc/61/55/25/1141615525.db2.gz BUIBZNFDHPCZQN-UHFFFAOYSA-N 1 1 346.858 3.948 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](CCOC)Cc2cccnc2)cc1Cl ZINC000348960385 1141615531 /nfs/dbraw/zinc/61/55/31/1141615531.db2.gz BUIBZNFDHPCZQN-UHFFFAOYSA-N 1 1 346.858 3.948 20 30 EHEDMO CN(Cc1ccc(C#N)cc1)c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001165017310 721837073 /nfs/dbraw/zinc/83/70/73/721837073.db2.gz KDIDPVBWWLQWLK-UHFFFAOYSA-N 1 1 340.858 3.839 20 30 EHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H](O)COc1cccc(C)c1 ZINC000615352774 1125485060 /nfs/dbraw/zinc/48/50/60/1125485060.db2.gz LYYGDXFVDVUQMO-GOSISDBHSA-N 1 1 329.415 3.562 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)COc1cccc(C)c1 ZINC000615352774 1125485061 /nfs/dbraw/zinc/48/50/61/1125485061.db2.gz LYYGDXFVDVUQMO-GOSISDBHSA-N 1 1 329.415 3.562 20 30 EHEDMO C[N@H+](CCOc1ccccc1)Cc1ccc(Br)cc1C#N ZINC000558087044 1014464737 /nfs/dbraw/zinc/46/47/37/1014464737.db2.gz HWJTYKITCFQEAS-UHFFFAOYSA-N 1 1 345.240 3.832 20 30 EHEDMO C[N@@H+](CCOc1ccccc1)Cc1ccc(Br)cc1C#N ZINC000558087044 1014464746 /nfs/dbraw/zinc/46/47/46/1014464746.db2.gz HWJTYKITCFQEAS-UHFFFAOYSA-N 1 1 345.240 3.832 20 30 EHEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)o3)C2)nc1 ZINC000430181104 1014622454 /nfs/dbraw/zinc/62/24/54/1014622454.db2.gz SKYUNKNQJYDPSN-LJQANCHMSA-N 1 1 345.402 3.867 20 30 EHEDMO Cc1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1Cl ZINC000430186322 1014661811 /nfs/dbraw/zinc/66/18/11/1014661811.db2.gz KSTHLITYWLEEFF-INIZCTEOSA-N 1 1 327.815 3.568 20 30 EHEDMO C=C(Br)C[NH2+]Cc1cc(-c2ccncc2)ccc1OC ZINC000187207720 1015013833 /nfs/dbraw/zinc/01/38/33/1015013833.db2.gz NRQUBSCLKAXLDQ-UHFFFAOYSA-N 1 1 333.229 3.755 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2sccc2C#N)CC1 ZINC000157631291 1015144006 /nfs/dbraw/zinc/14/40/06/1015144006.db2.gz 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ZINC000275063773 1015868614 /nfs/dbraw/zinc/86/86/14/1015868614.db2.gz RCCWZHZXOZZPLU-HNNXBMFYSA-N 1 1 341.480 3.819 20 30 EHEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000275063773 1015868622 /nfs/dbraw/zinc/86/86/22/1015868622.db2.gz RCCWZHZXOZZPLU-HNNXBMFYSA-N 1 1 341.480 3.819 20 30 EHEDMO C=CCCC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)OCC ZINC001209163397 1015877847 /nfs/dbraw/zinc/87/78/47/1015877847.db2.gz DNDYYTJARWKUFI-KRWDZBQOSA-N 1 1 347.455 3.522 20 30 EHEDMO CCc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000026191039 1032139481 /nfs/dbraw/zinc/13/94/81/1032139481.db2.gz HNSUDWAAOGQCRX-AWEZNQCLSA-N 1 1 339.439 3.790 20 30 EHEDMO CCc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000026191039 1032139494 /nfs/dbraw/zinc/13/94/94/1032139494.db2.gz HNSUDWAAOGQCRX-AWEZNQCLSA-N 1 1 339.439 3.790 20 30 EHEDMO C=CCCCCCCCC[N@@H+]1CC[C@H]2OCCN(C(C)=O)[C@H]2CC1 ZINC001209442373 1016297166 /nfs/dbraw/zinc/29/71/66/1016297166.db2.gz HAMYGQCVXVPZOY-VQTJNVASSA-N 1 1 336.520 3.615 20 30 EHEDMO N#CCCn1cc(C(=O)C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c2ccccc21 ZINC000177559900 1016370346 /nfs/dbraw/zinc/37/03/46/1016370346.db2.gz WHFHSZYMCPJGSV-CALCHBBNSA-N 1 1 335.451 3.860 20 30 EHEDMO CC(C)CN(CC[N@@H+]1C[C@H](C)C[C@H](C)C1)Cc1ccc(C#N)cc1 ZINC001167240293 1016728588 /nfs/dbraw/zinc/72/85/88/1016728588.db2.gz BLANQPMOYWSVFQ-KDURUIRLSA-N 1 1 327.516 3.994 20 30 EHEDMO CC(C)C[N@H+](CCN1C[C@H](C)C[C@H](C)C1)Cc1ccc(C#N)cc1 ZINC001167240293 1016728599 /nfs/dbraw/zinc/72/85/99/1016728599.db2.gz BLANQPMOYWSVFQ-KDURUIRLSA-N 1 1 327.516 3.994 20 30 EHEDMO CC(C)C[N@@H+](CCN1C[C@H](C)C[C@H](C)C1)Cc1ccc(C#N)cc1 ZINC001167240293 1016728606 /nfs/dbraw/zinc/72/86/06/1016728606.db2.gz BLANQPMOYWSVFQ-KDURUIRLSA-N 1 1 327.516 3.994 20 30 EHEDMO N#CC1(CCCC[N@H+]2CCn3nc(C(F)(F)F)cc3C2)CCC1 ZINC000932592704 1016761932 /nfs/dbraw/zinc/76/19/32/1016761932.db2.gz FXRIKECWTYKHMG-UHFFFAOYSA-N 1 1 326.366 3.582 20 30 EHEDMO N#CC1(CCCC[N@@H+]2CCn3nc(C(F)(F)F)cc3C2)CCC1 ZINC000932592704 1016761948 /nfs/dbraw/zinc/76/19/48/1016761948.db2.gz FXRIKECWTYKHMG-UHFFFAOYSA-N 1 1 326.366 3.582 20 30 EHEDMO C=C[C@@](C)(CC)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000188380770 1016823050 /nfs/dbraw/zinc/82/30/50/1016823050.db2.gz YRZRCWMFBCZEKY-QYYYHEGRSA-N 1 1 326.484 3.901 20 30 EHEDMO CC(C)C1(c2ccccc2)C[NH+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000414532230 1016960946 /nfs/dbraw/zinc/96/09/46/1016960946.db2.gz HGAHNLLZPJUVQI-UHFFFAOYSA-N 1 1 330.435 3.616 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CCCCCC#N ZINC000588944735 1032200651 /nfs/dbraw/zinc/20/06/51/1032200651.db2.gz LQPAWLOOQFFXDF-WGMWDUQUSA-N 1 1 341.499 3.733 20 30 EHEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000528391390 1032215946 /nfs/dbraw/zinc/21/59/46/1032215946.db2.gz ZCUHZQYWPWUUCB-QZTJIDSGSA-N 1 1 340.423 3.508 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](CC)Cc1ccc(Cl)s1 ZINC000485203007 1032380227 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336.435 3.708 20 30 EHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCSC[C@@H]2CCO)cc1 ZINC000438651451 1022900803 /nfs/dbraw/zinc/90/08/03/1022900803.db2.gz NCXAVPWZTLMDNA-IBGZPJMESA-N 1 1 338.476 3.525 20 30 EHEDMO CCC(CC)C[N@@H+](CCC#N)CCC(=O)N1CCc2ccccc2C1 ZINC000189063923 1022942677 /nfs/dbraw/zinc/94/26/77/1022942677.db2.gz IYZSMDTUAMOBOY-UHFFFAOYSA-N 1 1 341.499 3.613 20 30 EHEDMO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441461535 1022951096 /nfs/dbraw/zinc/95/10/96/1022951096.db2.gz GWNOKQDVJOQTJI-AWEZNQCLSA-N 1 1 330.391 3.555 20 30 EHEDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441461535 1022951103 /nfs/dbraw/zinc/95/11/03/1022951103.db2.gz GWNOKQDVJOQTJI-AWEZNQCLSA-N 1 1 330.391 3.555 20 30 EHEDMO C=CC[N@H+](CCC(=O)N1CCC[C@@H]1C)Cc1ccc(Cl)s1 ZINC000438783535 1022996965 /nfs/dbraw/zinc/99/69/65/1022996965.db2.gz GEWVZWXDJZEJDR-ZDUSSCGKSA-N 1 1 326.893 3.791 20 30 EHEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000506372042 1023017223 /nfs/dbraw/zinc/01/72/23/1023017223.db2.gz XKZGOAGVGCBECW-ZDUSSCGKSA-N 1 1 348.878 3.844 20 30 EHEDMO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000506937383 1023029429 /nfs/dbraw/zinc/02/94/29/1023029429.db2.gz QXPRMAORMRUSOG-SFHVURJKSA-N 1 1 340.858 3.880 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H]2C2CCCCC2)c1 ZINC000438828053 1023045662 /nfs/dbraw/zinc/04/56/62/1023045662.db2.gz FKPQSJYTARBJAY-IBGZPJMESA-N 1 1 325.456 3.932 20 30 EHEDMO CC(C)CC[C@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001168112370 1033105772 /nfs/dbraw/zinc/10/57/72/1033105772.db2.gz IVXCAXCYFANLNZ-UYAOXDASSA-N 1 1 339.483 3.954 20 30 EHEDMO C=CCOc1cccc(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000510751833 1023098562 /nfs/dbraw/zinc/09/85/62/1023098562.db2.gz VXTZDIAVHMXVLT-JKSUJKDBSA-N 1 1 331.460 3.636 20 30 EHEDMO C=C[C@](C)(CC)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000190044776 1023157079 /nfs/dbraw/zinc/15/70/79/1023157079.db2.gz HEWVCRDBKGQPAU-LJQANCHMSA-N 1 1 334.891 3.977 20 30 EHEDMO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000190044776 1023157086 /nfs/dbraw/zinc/15/70/86/1023157086.db2.gz HEWVCRDBKGQPAU-LJQANCHMSA-N 1 1 334.891 3.977 20 30 EHEDMO N#CCSCCC[N@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000295545174 1023257363 /nfs/dbraw/zinc/25/73/63/1023257363.db2.gz WOJSYZXEGGDVIZ-UHFFFAOYSA-N 1 1 343.265 3.593 20 30 EHEDMO N#CCSCCC[N@@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000295545174 1023257372 /nfs/dbraw/zinc/25/73/72/1023257372.db2.gz WOJSYZXEGGDVIZ-UHFFFAOYSA-N 1 1 343.265 3.593 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+](C)C2CCN(CCC)CC2)ccc1OC ZINC000092165985 1023325481 /nfs/dbraw/zinc/32/54/81/1023325481.db2.gz RYLHAOBRMJWKRF-UHFFFAOYSA-N 1 1 346.515 3.956 20 30 EHEDMO C=C(C)COc1cc(C[N@H+](C)C2CCN(CCC)CC2)ccc1OC ZINC000092165985 1023325489 /nfs/dbraw/zinc/32/54/89/1023325489.db2.gz RYLHAOBRMJWKRF-UHFFFAOYSA-N 1 1 346.515 3.956 20 30 EHEDMO Cc1ccccc1C[N@H+]1CCCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000610719246 1023343522 /nfs/dbraw/zinc/34/35/22/1023343522.db2.gz CTCLQRPZHITFBJ-UHFFFAOYSA-N 1 1 337.442 3.714 20 30 EHEDMO Cc1c(C#N)cccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000178404812 1023354728 /nfs/dbraw/zinc/35/47/28/1023354728.db2.gz ZHRUREUNLONXHV-LJQANCHMSA-N 1 1 333.435 3.717 20 30 EHEDMO N#CC1(F)CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000510944454 1023526093 /nfs/dbraw/zinc/52/60/93/1023526093.db2.gz GAYOISIZGATZAM-UHFFFAOYSA-N 1 1 334.398 3.829 20 30 EHEDMO COCC1(C#N)CC[NH+]([C@@H](C)c2cccc(Br)c2)CC1 ZINC000341972597 1023727493 /nfs/dbraw/zinc/72/74/93/1023727493.db2.gz GCSBCPFLBOCTKT-ZDUSSCGKSA-N 1 1 337.261 3.762 20 30 EHEDMO Cc1ccc(C[N@@H+](CC(=O)Nc2sccc2C#N)C(C)C)s1 ZINC000065162182 1023783645 /nfs/dbraw/zinc/78/36/45/1023783645.db2.gz HMWULFLUCHORCL-UHFFFAOYSA-N 1 1 333.482 3.839 20 30 EHEDMO Cc1ccc(C[N@H+](CC(=O)Nc2sccc2C#N)C(C)C)s1 ZINC000065162182 1023783650 /nfs/dbraw/zinc/78/36/50/1023783650.db2.gz HMWULFLUCHORCL-UHFFFAOYSA-N 1 1 333.482 3.839 20 30 EHEDMO N#CCC1(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)CC1 ZINC000602794061 1033167737 /nfs/dbraw/zinc/16/77/37/1033167737.db2.gz DSQBVMVCJFYLDQ-HXUWFJFHSA-N 1 1 347.462 3.728 20 30 EHEDMO C=C(C)C[N@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000181259202 1023875461 /nfs/dbraw/zinc/87/54/61/1023875461.db2.gz GKYVDFLSJRTCPT-LJQANCHMSA-N 1 1 328.481 3.770 20 30 EHEDMO COc1ccccc1[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000610944734 1023892426 /nfs/dbraw/zinc/89/24/26/1023892426.db2.gz QUFGVQZRPZCBNT-IBGZPJMESA-N 1 1 349.434 3.733 20 30 EHEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000610944734 1023892433 /nfs/dbraw/zinc/89/24/33/1023892433.db2.gz QUFGVQZRPZCBNT-IBGZPJMESA-N 1 1 349.434 3.733 20 30 EHEDMO C=C(C)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000181288365 1023896707 /nfs/dbraw/zinc/89/67/07/1023896707.db2.gz GRHZLCUFSKUFOU-UHFFFAOYSA-N 1 1 331.485 3.725 20 30 EHEDMO COc1ccc(C#N)cc1CN1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000610951270 1023901945 /nfs/dbraw/zinc/90/19/45/1023901945.db2.gz TYYUEFOSKWMWMA-UHFFFAOYSA-N 1 1 349.478 3.583 20 30 EHEDMO CCC[N@@H+](Cc1ccnc(C#N)c1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000610993115 1024000724 /nfs/dbraw/zinc/00/07/24/1024000724.db2.gz DPHPOSAZISNJGS-OALUTQOASA-N 1 1 327.472 3.903 20 30 EHEDMO C=CC[NH+](CC=C)CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000514112391 1024146496 /nfs/dbraw/zinc/14/64/96/1024146496.db2.gz FUHIWFNPMXHJAJ-HXUWFJFHSA-N 1 1 330.447 3.847 20 30 EHEDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCCCC#N ZINC000594061052 1033188934 /nfs/dbraw/zinc/18/89/34/1033188934.db2.gz AQVXRANMNQXAPP-OKZBNKHCSA-N 1 1 327.472 3.580 20 30 EHEDMO N#Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1O ZINC000190461193 1024229966 /nfs/dbraw/zinc/22/99/66/1024229966.db2.gz NOHIRWWKLVCYET-UHFFFAOYSA-N 1 1 335.407 3.502 20 30 EHEDMO O=C(Nc1ncn(C2CCCCC2)n1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000330098570 1024317337 /nfs/dbraw/zinc/31/73/37/1024317337.db2.gz CBNRWCNDYVVORU-INIZCTEOSA-N 1 1 331.464 3.778 20 30 EHEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2cc3ccccc3n2)C1 ZINC000330109105 1024320778 /nfs/dbraw/zinc/32/07/78/1024320778.db2.gz OSNZMZVVAZCBIF-HNNXBMFYSA-N 1 1 328.460 3.503 20 30 EHEDMO Cn1c2ccc(F)cc2nc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000330154680 1024336511 /nfs/dbraw/zinc/33/65/11/1024336511.db2.gz NQNUQFODNKDADO-CYBMUJFWSA-N 1 1 344.434 3.955 20 30 EHEDMO Cc1oc2ccc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)cc2c1C ZINC000330159745 1024339383 /nfs/dbraw/zinc/33/93/83/1024339383.db2.gz QQWAWEHGCOZJMF-IRXDYDNUSA-N 1 1 327.428 3.812 20 30 EHEDMO COCC1(C2CCC2)C[NH+](Cc2cc(C#N)ccc2Br)C1 ZINC000895347465 1024348530 /nfs/dbraw/zinc/34/85/30/1024348530.db2.gz YHMQGCPYYUHDJN-UHFFFAOYSA-N 1 1 349.272 3.569 20 30 EHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cc(C)cc(F)c1)C2 ZINC001143587256 1024350735 /nfs/dbraw/zinc/35/07/35/1024350735.db2.gz HXMUBPPIHMTZMR-WOJBJXKFSA-N 1 1 333.447 3.708 20 30 EHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)C1 ZINC000330236529 1024365542 /nfs/dbraw/zinc/36/55/42/1024365542.db2.gz HGLXVTJOXSYNKG-PVAVHDDUSA-N 1 1 327.476 3.724 20 30 EHEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)C1 ZINC000330236529 1024365560 /nfs/dbraw/zinc/36/55/60/1024365560.db2.gz HGLXVTJOXSYNKG-PVAVHDDUSA-N 1 1 327.476 3.724 20 30 EHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)C1 ZINC000330236529 1024365578 /nfs/dbraw/zinc/36/55/78/1024365578.db2.gz HGLXVTJOXSYNKG-PVAVHDDUSA-N 1 1 327.476 3.724 20 30 EHEDMO C=CCCC[C@H](C)[N@H+](C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000434744823 1024397094 /nfs/dbraw/zinc/39/70/94/1024397094.db2.gz VUAUZMPZUAQWMT-CMKODMSKSA-N 1 1 332.536 3.870 20 30 EHEDMO CCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc(F)cc1 ZINC000434750871 1024410556 /nfs/dbraw/zinc/41/05/56/1024410556.db2.gz ZROBLLQVVRNTOZ-UHFFFAOYSA-N 1 1 343.402 3.758 20 30 EHEDMO CCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc(F)cc1 ZINC000434750871 1024410560 /nfs/dbraw/zinc/41/05/60/1024410560.db2.gz ZROBLLQVVRNTOZ-UHFFFAOYSA-N 1 1 343.402 3.758 20 30 EHEDMO Cc1c(C#N)cccc1NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000346047719 1024415659 /nfs/dbraw/zinc/41/56/59/1024415659.db2.gz DKCBNZSADGIRHM-QGZVFWFLSA-N 1 1 327.815 3.762 20 30 EHEDMO C[C@H]([NH2+]Cc1nccn1CCc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000346140389 1024442299 /nfs/dbraw/zinc/44/22/99/1024442299.db2.gz PJDVUMHZYKZBII-INIZCTEOSA-N 1 1 348.425 3.987 20 30 EHEDMO CCCC[N@@H+](CC)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000071807862 1024443793 /nfs/dbraw/zinc/44/37/93/1024443793.db2.gz SMPTUKVJMPHNAG-UHFFFAOYSA-N 1 1 333.501 3.949 20 30 EHEDMO CCc1cccc(C)c1NC(=O)CO[NH+]=C(N)C1CCCCCC1 ZINC000179004881 1024492967 /nfs/dbraw/zinc/49/29/67/1024492967.db2.gz RLZIHSHZCRTXJW-UHFFFAOYSA-N 1 1 331.460 3.755 20 30 EHEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H]1CC=CCC1 ZINC000434987268 1024542482 /nfs/dbraw/zinc/54/24/82/1024542482.db2.gz MCSMWBYXTDHFRL-QGZVFWFLSA-N 1 1 335.455 3.647 20 30 EHEDMO C=CCC[C@H](NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000435095906 1024617120 /nfs/dbraw/zinc/61/71/20/1024617120.db2.gz JSRMKEPDVKZGEX-ICSRJNTNSA-N 1 1 343.515 3.971 20 30 EHEDMO Cc1ccccc1OCCC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000065534815 1024623312 /nfs/dbraw/zinc/62/33/12/1024623312.db2.gz JTRWAYLONCHWGT-UHFFFAOYSA-N 1 1 349.478 3.848 20 30 EHEDMO Cc1ccc(C)c([C@H]2CCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)c1 ZINC000474235067 1024623856 /nfs/dbraw/zinc/62/38/56/1024623856.db2.gz BRUMZXXWJOPPKF-OAQYLSRUSA-N 1 1 347.462 3.628 20 30 EHEDMO C=C(C)[C@@H](CC(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21)OCC ZINC000281129632 1024682275 /nfs/dbraw/zinc/68/22/75/1024682275.db2.gz VYWIMGACDGFYEO-MISYRCLQSA-N 1 1 342.483 3.501 20 30 EHEDMO C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000121159690 1024741352 /nfs/dbraw/zinc/74/13/52/1024741352.db2.gz QBHMOGNBBIZVGT-DYESRHJHSA-N 1 1 347.462 3.790 20 30 EHEDMO CCN(Cc1ccccc1)C(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000346462611 1024773666 /nfs/dbraw/zinc/77/36/66/1024773666.db2.gz YGJSYHLHRNZARE-UHFFFAOYSA-N 1 1 347.462 3.571 20 30 EHEDMO CCN(Cc1ccccc1)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000346462611 1024773674 /nfs/dbraw/zinc/77/36/74/1024773674.db2.gz YGJSYHLHRNZARE-UHFFFAOYSA-N 1 1 347.462 3.571 20 30 EHEDMO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399015602 1024780736 /nfs/dbraw/zinc/78/07/36/1024780736.db2.gz BWRJDQYEPQLRAT-AVRDEDQJSA-N 1 1 333.479 3.753 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000346521674 1024824061 /nfs/dbraw/zinc/82/40/61/1024824061.db2.gz FOTDSQOHKOBZIQ-MRXNPFEDSA-N 1 1 340.492 3.710 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000346521674 1024824081 /nfs/dbraw/zinc/82/40/81/1024824081.db2.gz FOTDSQOHKOBZIQ-MRXNPFEDSA-N 1 1 340.492 3.710 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC000895788216 1024833885 /nfs/dbraw/zinc/83/38/85/1024833885.db2.gz LOLCOYDMLJABBY-JSGCOSHPSA-N 1 1 329.753 3.771 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC000895788216 1024833900 /nfs/dbraw/zinc/83/39/00/1024833900.db2.gz LOLCOYDMLJABBY-JSGCOSHPSA-N 1 1 329.753 3.771 20 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EHEDMO CC(C)(C)c1csc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1C#N ZINC000888216722 1027615306 /nfs/dbraw/zinc/61/53/06/1027615306.db2.gz FNNTVQRZZYRRAI-STQMWFEESA-N 1 1 346.500 3.666 20 30 EHEDMO C=C(C)CN1CCC([NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000106245589 1027686071 /nfs/dbraw/zinc/68/60/71/1027686071.db2.gz RJIXWMABLOLSPQ-UHFFFAOYSA-N 1 1 341.268 3.718 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1 ZINC000533429491 1027862017 /nfs/dbraw/zinc/86/20/17/1027862017.db2.gz CFINZYXPPRBWJR-QRQLOZEOSA-N 1 1 339.483 3.526 20 30 EHEDMO C[C@@H]1C[C@@H](CO)C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000420941040 1027892818 /nfs/dbraw/zinc/89/28/18/1027892818.db2.gz NKUQMTBLVKAWRD-WOJBJXKFSA-N 1 1 348.490 3.837 20 30 EHEDMO C=CCc1cc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)cc(OC)c1O ZINC000657677530 1028037922 /nfs/dbraw/zinc/03/79/22/1028037922.db2.gz FAIOBVPGRRLLHN-GOSISDBHSA-N 1 1 344.499 3.626 20 30 EHEDMO C=CCc1cc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)cc(OC)c1O ZINC000657677530 1028037938 /nfs/dbraw/zinc/03/79/38/1028037938.db2.gz FAIOBVPGRRLLHN-GOSISDBHSA-N 1 1 344.499 3.626 20 30 EHEDMO C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1nccs1 ZINC000414495745 1028041956 /nfs/dbraw/zinc/04/19/56/1028041956.db2.gz OKOKQBUFZQVCAK-AWEZNQCLSA-N 1 1 337.452 3.771 20 30 EHEDMO CC[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)[C@@H]1CCCCN1 ZINC000422997623 1028114089 /nfs/dbraw/zinc/11/40/89/1028114089.db2.gz VAMYJIHNMABBDG-TUNPWDSISA-N 1 1 341.499 3.759 20 30 EHEDMO CCN(C[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1)CC(F)(F)F ZINC000444655605 1028117057 /nfs/dbraw/zinc/11/70/57/1028117057.db2.gz XAZTUTUPJRLGEE-OAHLLOKOSA-N 1 1 333.442 3.913 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC1(c2ccccc2)CC1 ZINC000444683560 1028152577 /nfs/dbraw/zinc/15/25/77/1028152577.db2.gz HULCJPIZBZPAFB-UHFFFAOYSA-N 1 1 333.435 3.550 20 30 EHEDMO N#CC(CC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)(c1ccccc1)c1ccccc1 ZINC000444689423 1028162604 /nfs/dbraw/zinc/16/26/04/1028162604.db2.gz NOTJPJDCOSNZIP-YUXAGFNASA-N 1 1 346.474 3.589 20 30 EHEDMO C=CCCC[N@H+]1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000502385685 1028163394 /nfs/dbraw/zinc/16/33/94/1028163394.db2.gz MDIWNIWSGRAXHM-FQEVSTJZSA-N 1 1 339.483 3.888 20 30 EHEDMO C=CCCC[N@@H+]1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000502385685 1028163410 /nfs/dbraw/zinc/16/34/10/1028163410.db2.gz MDIWNIWSGRAXHM-FQEVSTJZSA-N 1 1 339.483 3.888 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000135294942 1028181531 /nfs/dbraw/zinc/18/15/31/1028181531.db2.gz UARQAJONONRYGY-FQEVSTJZSA-N 1 1 336.435 3.767 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000135294942 1028181537 /nfs/dbraw/zinc/18/15/37/1028181537.db2.gz UARQAJONONRYGY-FQEVSTJZSA-N 1 1 336.435 3.767 20 30 EHEDMO C[C@H](NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000502524500 1028286950 /nfs/dbraw/zinc/28/69/50/1028286950.db2.gz UKULEOHJGJTULI-KRWDZBQOSA-N 1 1 345.446 3.525 20 30 EHEDMO C[C@H](NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000502524500 1028286956 /nfs/dbraw/zinc/28/69/56/1028286956.db2.gz UKULEOHJGJTULI-KRWDZBQOSA-N 1 1 345.446 3.525 20 30 EHEDMO COc1ccc(OC)c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502549045 1028337166 /nfs/dbraw/zinc/33/71/66/1028337166.db2.gz RXPCNTXKAYEMSW-UHFFFAOYSA-N 1 1 334.419 3.865 20 30 EHEDMO CCc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3C#N)CC2)s1 ZINC000523442780 1028337711 /nfs/dbraw/zinc/33/77/11/1028337711.db2.gz OZYLLLKAKWCKJF-UHFFFAOYSA-N 1 1 343.471 3.639 20 30 EHEDMO C[C@H]([NH2+][C@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000423372058 1028377314 /nfs/dbraw/zinc/37/73/14/1028377314.db2.gz QXVFOCREAALBFB-ROOHIHILSA-N 1 1 341.405 3.633 20 30 EHEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C(C)(C)C1 ZINC000472274663 1028439848 /nfs/dbraw/zinc/43/98/48/1028439848.db2.gz HSQQVSNJDCMWII-CYBMUJFWSA-N 1 1 345.512 3.948 20 30 EHEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2cccc(F)c2)no1 ZINC001211975406 1028722237 /nfs/dbraw/zinc/72/22/37/1028722237.db2.gz GIGZAEFLUIZRAY-SJORKVTESA-N 1 1 347.434 3.954 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000502821128 1028723355 /nfs/dbraw/zinc/72/33/55/1028723355.db2.gz DGTZHPYAPRQGLL-CQSZACIVSA-N 1 1 348.878 3.988 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000245482481 1028729352 /nfs/dbraw/zinc/72/93/52/1028729352.db2.gz ZIGWWKFJGIMCJW-GJZGRUSLSA-N 1 1 335.879 3.526 20 30 EHEDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1ccc(C#N)cc1OC ZINC001167654046 1028921546 /nfs/dbraw/zinc/92/15/46/1028921546.db2.gz VOFXLYSLJKWMMV-LJQANCHMSA-N 1 1 335.451 3.797 20 30 EHEDMO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000424297029 1028937601 /nfs/dbraw/zinc/93/76/01/1028937601.db2.gz PPFNDNYAHXIYKP-ITBHCLRTSA-N 1 1 340.511 3.610 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C)c(OC)c(C)c1 ZINC000508540197 1029071037 /nfs/dbraw/zinc/07/10/37/1029071037.db2.gz BJGPJUHQZPABNV-UHFFFAOYSA-N 1 1 338.451 3.832 20 30 EHEDMO N#CC1(CCC[N@H+](Cc2cccs2)C[C@@H]2CCCO2)CCOCC1 ZINC000282020225 1029152060 /nfs/dbraw/zinc/15/20/60/1029152060.db2.gz PEIDZZSCPLWDNY-KRWDZBQOSA-N 1 1 348.512 3.830 20 30 EHEDMO CC[C@H](C)[N@H+](CCC(C)(C)C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000271952288 1029244565 /nfs/dbraw/zinc/24/45/65/1029244565.db2.gz BILBVHGIVFDXLC-AWEZNQCLSA-N 1 1 326.444 3.876 20 30 EHEDMO CC[C@H](C)[N@@H+](CCC(C)(C)C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000271952288 1029244579 /nfs/dbraw/zinc/24/45/79/1029244579.db2.gz BILBVHGIVFDXLC-AWEZNQCLSA-N 1 1 326.444 3.876 20 30 EHEDMO C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)C[C@H](C)[N@H+]1C ZINC000583223731 1029294917 /nfs/dbraw/zinc/29/49/17/1029294917.db2.gz IADGWURJXURJLW-IYBDPMFKSA-N 1 1 349.434 3.515 20 30 EHEDMO C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)C[C@H](C)[N@@H+]1C ZINC000583223731 1029294935 /nfs/dbraw/zinc/29/49/35/1029294935.db2.gz IADGWURJXURJLW-IYBDPMFKSA-N 1 1 349.434 3.515 20 30 EHEDMO CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccc2ccccc2c1 ZINC000516745989 1029307983 /nfs/dbraw/zinc/30/79/83/1029307983.db2.gz AEZYLLFECQWLJW-OAQYLSRUSA-N 1 1 337.467 3.716 20 30 EHEDMO COc1cc(C[NH2+]Cc2cscc2Br)ccc1C#N ZINC000353187304 1029342592 /nfs/dbraw/zinc/34/25/92/1029342592.db2.gz KTXBVKZFYQZGOI-UHFFFAOYSA-N 1 1 337.242 3.681 20 30 EHEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000424832930 1029373548 /nfs/dbraw/zinc/37/35/48/1029373548.db2.gz OFENHLUOBIGVHA-RTBURBONSA-N 1 1 326.484 3.569 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N(CC(F)(F)F)C(C)C ZINC000524753402 1029471447 /nfs/dbraw/zinc/47/14/47/1029471447.db2.gz VCZWMXKKTNOCMU-UHFFFAOYSA-N 1 1 342.405 3.516 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N(CC(F)(F)F)C(C)C ZINC000524753402 1029471457 /nfs/dbraw/zinc/47/14/57/1029471457.db2.gz VCZWMXKKTNOCMU-UHFFFAOYSA-N 1 1 342.405 3.516 20 30 EHEDMO CC(C)C[C@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)c1ccccc1 ZINC000272497569 1029485349 /nfs/dbraw/zinc/48/53/49/1029485349.db2.gz DCRMQTFMFAYNQC-SFHVURJKSA-N 1 1 327.472 3.516 20 30 EHEDMO CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC(C)(C#N)CC1 ZINC000272545011 1029505899 /nfs/dbraw/zinc/50/58/99/1029505899.db2.gz KATPQAAFPHHCBY-UHFFFAOYSA-N 1 1 326.396 3.735 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)C(C)(C)C)c1C ZINC000533250355 1029528600 /nfs/dbraw/zinc/52/86/00/1029528600.db2.gz AUTFKJCXTIBGON-KRWDZBQOSA-N 1 1 329.488 3.917 20 30 EHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)c(Br)c1 ZINC000615093018 1029545237 /nfs/dbraw/zinc/54/52/37/1029545237.db2.gz CQPSUTJJFMPVHJ-JTQLQIEISA-N 1 1 334.192 3.706 20 30 EHEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](C)c1c(Cl)cccc1Cl ZINC000729811901 1029561956 /nfs/dbraw/zinc/56/19/56/1029561956.db2.gz FZMLUYSLAHIJSL-STQMWFEESA-N 1 1 340.250 3.738 20 30 EHEDMO C[C@@H](C#N)c1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)c1 ZINC001272123046 1029573907 /nfs/dbraw/zinc/57/39/07/1029573907.db2.gz JOWWDDAGNPTZLU-RYGJVYDSSA-N 1 1 337.467 3.545 20 30 EHEDMO N#Cc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1F ZINC000192138838 1029615340 /nfs/dbraw/zinc/61/53/40/1029615340.db2.gz JLUCJSFHLWCXEK-UHFFFAOYSA-N 1 1 325.343 3.770 20 30 EHEDMO N#Cc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1F ZINC000192138838 1029615347 /nfs/dbraw/zinc/61/53/47/1029615347.db2.gz JLUCJSFHLWCXEK-UHFFFAOYSA-N 1 1 325.343 3.770 20 30 EHEDMO C=CCOCCCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000079558019 1029663735 /nfs/dbraw/zinc/66/37/35/1029663735.db2.gz HGKIOHYXANKXGP-SFHVURJKSA-N 1 1 344.499 3.660 20 30 EHEDMO C[C@H]1C[N@H+](CCOc2cccc(C#N)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000525122951 1029694352 /nfs/dbraw/zinc/69/43/52/1029694352.db2.gz ROWDUOSYXZDGOM-YWZLYKJASA-N 1 1 340.398 3.538 20 30 EHEDMO C[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000525122951 1029694356 /nfs/dbraw/zinc/69/43/56/1029694356.db2.gz ROWDUOSYXZDGOM-YWZLYKJASA-N 1 1 340.398 3.538 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2CC[C@](C)(c3ccccc3)C2)c1C#N ZINC000533758667 1029801480 /nfs/dbraw/zinc/80/14/80/1029801480.db2.gz QPHRBBRMAFUTQE-NRFANRHFSA-N 1 1 334.419 3.508 20 30 EHEDMO C=CC[C@H]1[N@H+](Cc2cnc(N3CCOCC3)s2)CCCC1(C)C ZINC000446830097 1029811462 /nfs/dbraw/zinc/81/14/62/1029811462.db2.gz OKDARBGNFQLOCT-MRXNPFEDSA-N 1 1 335.517 3.546 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000525422188 1029848029 /nfs/dbraw/zinc/84/80/29/1029848029.db2.gz MSGRPEGFXLCBBS-SFHVURJKSA-N 1 1 328.456 3.990 20 30 EHEDMO CC[C@@H](C[N@@H+](CC)CC(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 ZINC000481746686 1029892661 /nfs/dbraw/zinc/89/26/61/1029892661.db2.gz SUGIISYLVWUAKS-ROUUACIJSA-N 1 1 329.488 3.510 20 30 EHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000428467254 1029913195 /nfs/dbraw/zinc/91/31/95/1029913195.db2.gz XQLHHTQYYAHHCR-INIZCTEOSA-N 1 1 337.398 3.548 20 30 EHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000428467254 1029913204 /nfs/dbraw/zinc/91/32/04/1029913204.db2.gz XQLHHTQYYAHHCR-INIZCTEOSA-N 1 1 337.398 3.548 20 30 EHEDMO C[C@H]1CC[C@@H]([N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO)C1 ZINC000429758795 1029956542 /nfs/dbraw/zinc/95/65/42/1029956542.db2.gz JQKKYDFTNMCVSO-WMLDXEAASA-N 1 1 325.374 3.540 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)CCC1CC1 ZINC000441220302 1029999967 /nfs/dbraw/zinc/99/99/67/1029999967.db2.gz BWVQYJYGBVNMKH-CYBMUJFWSA-N 1 1 345.512 3.948 20 30 EHEDMO CC(C)[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000531897967 1030002837 /nfs/dbraw/zinc/00/28/37/1030002837.db2.gz JRASMCDOYMPPJB-FXAWDEMLSA-N 1 1 341.499 3.806 20 30 EHEDMO C[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000090002411 1030057971 /nfs/dbraw/zinc/05/79/71/1030057971.db2.gz YZSAZBZMEICIOG-SJORKVTESA-N 1 1 345.874 3.675 20 30 EHEDMO C[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000090002411 1030057982 /nfs/dbraw/zinc/05/79/82/1030057982.db2.gz YZSAZBZMEICIOG-SJORKVTESA-N 1 1 345.874 3.675 20 30 EHEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)Nc1cccc(C#N)c1 ZINC000159416169 1030178699 /nfs/dbraw/zinc/17/86/99/1030178699.db2.gz MMIDKIAQDLENIL-NWDGAFQWSA-N 1 1 329.350 3.514 20 30 EHEDMO N#CC1(NC(=O)C[N@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000525893424 1030219082 /nfs/dbraw/zinc/21/90/82/1030219082.db2.gz BKZDDWDNCPIJSL-KRWDZBQOSA-N 1 1 345.874 3.820 20 30 EHEDMO N#CC1(NC(=O)C[N@@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000525893424 1030219097 /nfs/dbraw/zinc/21/90/97/1030219097.db2.gz BKZDDWDNCPIJSL-KRWDZBQOSA-N 1 1 345.874 3.820 20 30 EHEDMO Cc1c[nH+]ccc1OC1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000447676931 1030411691 /nfs/dbraw/zinc/41/16/91/1030411691.db2.gz RUMKIKUYPOAOCE-UHFFFAOYSA-N 1 1 327.815 3.963 20 30 EHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cc(CC#N)ccn2)cc1 ZINC000532181197 1030452220 /nfs/dbraw/zinc/45/22/20/1030452220.db2.gz OOGOGWKEKYUAMD-UHFFFAOYSA-N 1 1 336.439 3.632 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)o1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000092475007 1030457946 /nfs/dbraw/zinc/45/79/46/1030457946.db2.gz OWZMQFVWOOTJLY-YIONKMFJSA-N 1 1 345.443 3.514 20 30 EHEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc3nc[nH]c3cc2F)C1 ZINC000329346607 1030476277 /nfs/dbraw/zinc/47/62/77/1030476277.db2.gz CGOGFEIADCFXPV-GFCCVEGCSA-N 1 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N#CCc1ccc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c(Cl)c1 ZINC000529110049 1033417564 /nfs/dbraw/zinc/41/75/64/1033417564.db2.gz WZKFBUXSBHKXJL-HNNXBMFYSA-N 1 1 346.862 3.544 20 30 EHEDMO C=C(C)Cn1c([C@H](C)CC)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460368044 1033568925 /nfs/dbraw/zinc/56/89/25/1033568925.db2.gz DNGRMQYAXQSREN-BRWVUGGUSA-N 1 1 333.524 3.534 20 30 EHEDMO CN1Cc2ccccc2[C@@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1=O ZINC000598942794 1033583680 /nfs/dbraw/zinc/58/36/80/1033583680.db2.gz NVIOAZLSYBIJSK-LEWJYISDSA-N 1 1 345.446 3.629 20 30 EHEDMO C=CCCSCC[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000595057139 1033634408 /nfs/dbraw/zinc/63/44/08/1033634408.db2.gz ARIUKIHZEPUDSN-GOSISDBHSA-N 1 1 332.557 3.981 20 30 EHEDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(C#N)cc1 ZINC000063750797 1033668006 /nfs/dbraw/zinc/66/80/06/1033668006.db2.gz HSOBBZPNVDMOKJ-UHFFFAOYSA-N 1 1 346.434 3.669 20 30 EHEDMO COCC[N@@H+](CCOc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000063754473 1033670547 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349.475 3.509 20 30 EHEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CC4CC3(c3ccccc3)C4)o2)c1 ZINC000595911110 1034029074 /nfs/dbraw/zinc/02/90/74/1034029074.db2.gz MZYSOKSXNYMHFF-UHFFFAOYSA-N 1 1 342.402 3.729 20 30 EHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CC4CC3(c3ccccc3)C4)o2)c1 ZINC000595911110 1034029088 /nfs/dbraw/zinc/02/90/88/1034029088.db2.gz MZYSOKSXNYMHFF-UHFFFAOYSA-N 1 1 342.402 3.729 20 30 EHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3OC)C2)cc1F ZINC000599676877 1034083256 /nfs/dbraw/zinc/08/32/56/1034083256.db2.gz FEBBNSWWHBRNFD-MRXNPFEDSA-N 1 1 340.398 3.704 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nc(C#N)c(Cl)s2)C1 ZINC000596125828 1034083631 /nfs/dbraw/zinc/08/36/31/1034083631.db2.gz DGKGUZRGWALRBK-OLZOCXBDSA-N 1 1 338.908 3.759 20 30 EHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cccc(C#N)c3F)C2)cc1F ZINC000599680084 1034107987 /nfs/dbraw/zinc/10/79/87/1034107987.db2.gz QEKNYAHSOSMSPI-OAHLLOKOSA-N 1 1 328.362 3.835 20 30 EHEDMO CC(C)[N@@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)Cc1ccc(C#N)cc1 ZINC000060208198 1034293532 /nfs/dbraw/zinc/29/35/32/1034293532.db2.gz YAHPMTDEFBRVIO-MBOZVWFJSA-N 1 1 341.499 3.710 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)o1 ZINC000529637948 1034326748 /nfs/dbraw/zinc/32/67/48/1034326748.db2.gz KBYJMLYTXVLQEE-UHFFFAOYSA-N 1 1 340.427 3.647 20 30 EHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1c1ccco1 ZINC000604776149 1034488923 /nfs/dbraw/zinc/48/89/23/1034488923.db2.gz YPOGSADZTTUBQB-OALUTQOASA-N 1 1 341.451 3.975 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)Cc1cccc(C#N)c1 ZINC000597000334 1034499702 /nfs/dbraw/zinc/49/97/02/1034499702.db2.gz KYMSAWLQRDEGAS-JOCHJYFZSA-N 1 1 348.446 3.914 20 30 EHEDMO Cc1nc2sccn2c1C[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596998769 1034499956 /nfs/dbraw/zinc/49/99/56/1034499956.db2.gz QOJUGZGKLCXHFI-UHFFFAOYSA-N 1 1 336.464 3.891 20 30 EHEDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc(F)c(C#N)c(F)c3)c2C1 ZINC000597111450 1034543675 /nfs/dbraw/zinc/54/36/75/1034543675.db2.gz ZCEJTVPKFYNUOO-UHFFFAOYSA-N 1 1 341.361 3.814 20 30 EHEDMO CCC[N@H+]1Cc2cccc(NC(=O)c3cc(F)c(C#N)c(F)c3)c2C1 ZINC000597111450 1034543677 /nfs/dbraw/zinc/54/36/77/1034543677.db2.gz ZCEJTVPKFYNUOO-UHFFFAOYSA-N 1 1 341.361 3.814 20 30 EHEDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000167106363 1034576064 /nfs/dbraw/zinc/57/60/64/1034576064.db2.gz HXOPERUWWKXRCY-KSSFIOAISA-N 1 1 336.395 3.541 20 30 EHEDMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597174568 1034582723 /nfs/dbraw/zinc/58/27/23/1034582723.db2.gz RBELFDXAIJFLRL-LJQANCHMSA-N 1 1 336.483 3.982 20 30 EHEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c1 ZINC000597232836 1034614304 /nfs/dbraw/zinc/61/43/04/1034614304.db2.gz YRWVCQVHWCIDHS-NHCUHLMSSA-N 1 1 348.446 3.606 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000065959503 1035030783 /nfs/dbraw/zinc/03/07/83/1035030783.db2.gz XNSCPPUBPUUMIH-UHFFFAOYSA-N 1 1 326.396 3.834 20 30 EHEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)c1 ZINC001167691112 1035217257 /nfs/dbraw/zinc/21/72/57/1035217257.db2.gz WGQXQTFRMHTKCO-RBUKOAKNSA-N 1 1 347.418 3.960 20 30 EHEDMO COCCOc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000180030732 1035220936 /nfs/dbraw/zinc/22/09/36/1035220936.db2.gz OKLGIZCOSGOJCQ-UHFFFAOYSA-N 1 1 336.435 3.748 20 30 EHEDMO CC(C)[N@H+]1CCC[C@H](CNCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000571604544 1035561632 /nfs/dbraw/zinc/56/16/32/1035561632.db2.gz DLPPZUJZKNUJPA-OAHLLOKOSA-N 1 1 339.405 3.787 20 30 EHEDMO C=CC[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2)c1ccccc1 ZINC000186050060 1035571833 /nfs/dbraw/zinc/57/18/33/1035571833.db2.gz VXJRIDXLFZZETQ-OAHLLOKOSA-N 1 1 341.480 3.820 20 30 EHEDMO C=CC[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2)c1ccccc1 ZINC000186050060 1035571842 /nfs/dbraw/zinc/57/18/42/1035571842.db2.gz VXJRIDXLFZZETQ-OAHLLOKOSA-N 1 1 341.480 3.820 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3cc(Cl)cc(Cl)c3C2)cc1 ZINC000156678850 1035588963 /nfs/dbraw/zinc/58/89/63/1035588963.db2.gz UUZRZYVTICBLEU-SFHVURJKSA-N 1 1 347.245 3.957 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3cc(Cl)cc(Cl)c3C2)cc1 ZINC000156678850 1035588970 /nfs/dbraw/zinc/58/89/70/1035588970.db2.gz UUZRZYVTICBLEU-SFHVURJKSA-N 1 1 347.245 3.957 20 30 EHEDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2ccc(C#N)c(OC)c2)c1 ZINC000581863224 1035645180 /nfs/dbraw/zinc/64/51/80/1035645180.db2.gz ZXSQARAVHZACRT-IBGZPJMESA-N 1 1 336.435 3.783 20 30 EHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000613373887 1035682330 /nfs/dbraw/zinc/68/23/30/1035682330.db2.gz ZWTFSVQYSIYOQS-WMZOPIPTSA-N 1 1 343.442 3.987 20 30 EHEDMO CCC[C@@H]1CN(C(=O)CCCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000588163315 1035735515 /nfs/dbraw/zinc/73/55/15/1035735515.db2.gz PSSLKBAQKHLDJO-HXUWFJFHSA-N 1 1 341.499 3.974 20 30 EHEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000582335900 1035744859 /nfs/dbraw/zinc/74/48/59/1035744859.db2.gz CUTLXOUNEUQBQP-CQSZACIVSA-N 1 1 332.419 3.641 20 30 EHEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000582335900 1035744875 /nfs/dbraw/zinc/74/48/75/1035744875.db2.gz CUTLXOUNEUQBQP-CQSZACIVSA-N 1 1 332.419 3.641 20 30 EHEDMO C[NH+](C)C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000588231462 1035828834 /nfs/dbraw/zinc/82/88/34/1035828834.db2.gz RUTFXQZMEXYZAY-NHCUHLMSSA-N 1 1 337.442 3.967 20 30 EHEDMO C[NH+](C)C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000588231461 1035830309 /nfs/dbraw/zinc/83/03/09/1035830309.db2.gz RUTFXQZMEXYZAY-LEWJYISDSA-N 1 1 337.442 3.967 20 30 EHEDMO C[C@H](CN1CCCCCC1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000187566221 1035844325 /nfs/dbraw/zinc/84/43/25/1035844325.db2.gz WKBGZTHGQSKACI-GOSISDBHSA-N 1 1 329.488 3.723 20 30 EHEDMO N#Cc1csc(C[NH2+]CCOc2ccccc2-c2ccccc2)n1 ZINC000572051453 1035960535 /nfs/dbraw/zinc/96/05/35/1035960535.db2.gz INTFOXJASVIMEX-UHFFFAOYSA-N 1 1 335.432 3.850 20 30 EHEDMO Cc1cc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)ncc1C#N ZINC000457464102 1036129185 /nfs/dbraw/zinc/12/91/85/1036129185.db2.gz QTVLYEQOCKTYEN-MRXNPFEDSA-N 1 1 348.450 3.888 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000541390895 1036250839 /nfs/dbraw/zinc/25/08/39/1036250839.db2.gz UYWANYXXTAHJIV-CVEARBPZSA-N 1 1 345.462 3.829 20 30 EHEDMO CC(C)[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCS1 ZINC000180250378 1036395300 /nfs/dbraw/zinc/39/53/00/1036395300.db2.gz BHPCKYLAQJSYPQ-GOSISDBHSA-N 1 1 340.496 3.532 20 30 EHEDMO C[N@@H+]1CC[C@H](NCc2ccc(C#N)cc2Cl)[C@@H]1c1ccccc1 ZINC000572766883 1036513565 /nfs/dbraw/zinc/51/35/65/1036513565.db2.gz QAVOBJJGGWOYQH-OALUTQOASA-N 1 1 325.843 3.747 20 30 EHEDMO C[N@H+]1CC[C@H](NCc2ccc(C#N)cc2Cl)[C@@H]1c1ccccc1 ZINC000572766883 1036513568 /nfs/dbraw/zinc/51/35/68/1036513568.db2.gz QAVOBJJGGWOYQH-OALUTQOASA-N 1 1 325.843 3.747 20 30 EHEDMO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@@H]2C2CC2)sc2c1CCCCC2 ZINC000609133474 1036554749 /nfs/dbraw/zinc/55/47/49/1036554749.db2.gz AHSDZNLEWGRSHQ-MRXNPFEDSA-N 1 1 343.496 3.702 20 30 EHEDMO N#Cc1c(NC(=O)C[N@H+]2CCC[C@@H]2C2CC2)sc2c1CCCCC2 ZINC000609133474 1036554763 /nfs/dbraw/zinc/55/47/63/1036554763.db2.gz AHSDZNLEWGRSHQ-MRXNPFEDSA-N 1 1 343.496 3.702 20 30 EHEDMO Cc1ccc(CNc2nc(C)c(C#N)cc2Cl)c(N2CCCC2)[nH+]1 ZINC000589690371 1036594336 /nfs/dbraw/zinc/59/43/36/1036594336.db2.gz ZBWLIPVEIPIPOW-UHFFFAOYSA-N 1 1 341.846 3.831 20 30 EHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)C[C@H](C)c1ccccc1 ZINC000589707383 1036601968 /nfs/dbraw/zinc/60/19/68/1036601968.db2.gz JVNUUWBUJCDSSJ-RXVVDRJESA-N 1 1 339.479 3.890 20 30 EHEDMO C[C@H]1CCN(Cc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000399054515 1036607114 /nfs/dbraw/zinc/60/71/14/1036607114.db2.gz ZBCPWUTTZHAYLP-IBGZPJMESA-N 1 1 333.479 3.849 20 30 EHEDMO C[C@H]1CC[N@H+](Cc2ccc(CC#N)cc2)CCN1Cc1ccccc1 ZINC000399054515 1036607123 /nfs/dbraw/zinc/60/71/23/1036607123.db2.gz ZBCPWUTTZHAYLP-IBGZPJMESA-N 1 1 333.479 3.849 20 30 EHEDMO C[C@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)CCN1Cc1ccccc1 ZINC000399054515 1036607133 /nfs/dbraw/zinc/60/71/33/1036607133.db2.gz ZBCPWUTTZHAYLP-IBGZPJMESA-N 1 1 333.479 3.849 20 30 EHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](C/C=C/c3ccc(Cl)cc3)C2)nc1 ZINC000428813604 1036630183 /nfs/dbraw/zinc/63/01/83/1036630183.db2.gz QBIRZEFBLPJGQX-ZMXQLYDGSA-N 1 1 339.826 3.773 20 30 EHEDMO CC#CCCCC(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000464654695 1036641928 /nfs/dbraw/zinc/64/19/28/1036641928.db2.gz AXHDFFUCEUYCFC-QUCCMNQESA-N 1 1 326.484 3.864 20 30 EHEDMO COc1ccc(C#N)cc1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000325855738 1036649651 /nfs/dbraw/zinc/64/96/51/1036649651.db2.gz GTJIJILLUSMQNO-UHFFFAOYSA-N 1 1 341.842 3.542 20 30 EHEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000302735653 1036696560 /nfs/dbraw/zinc/69/65/60/1036696560.db2.gz DDDRDSRULFWPHP-NRFANRHFSA-N 1 1 336.479 3.985 20 30 EHEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000464728730 1036710084 /nfs/dbraw/zinc/71/00/84/1036710084.db2.gz YPLCNHDSTJSPCD-CRAIPNDOSA-N 1 1 343.446 3.551 20 30 EHEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000464728730 1036710102 /nfs/dbraw/zinc/71/01/02/1036710102.db2.gz YPLCNHDSTJSPCD-CRAIPNDOSA-N 1 1 343.446 3.551 20 30 EHEDMO N#Cc1cc(C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)ccn1 ZINC000590025776 1036710884 /nfs/dbraw/zinc/71/08/84/1036710884.db2.gz CFUBMOUUANPEND-KRWDZBQOSA-N 1 1 329.856 3.973 20 30 EHEDMO CC1(C)CN(c2ccc(Cl)cc2)CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000590026261 1036711524 /nfs/dbraw/zinc/71/15/24/1036711524.db2.gz XQBXYTWBOGKHTF-UHFFFAOYSA-N 1 1 340.858 3.707 20 30 EHEDMO CC1(C)CN(c2ccc(Cl)cc2)CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000590026261 1036711535 /nfs/dbraw/zinc/71/15/35/1036711535.db2.gz XQBXYTWBOGKHTF-UHFFFAOYSA-N 1 1 340.858 3.707 20 30 EHEDMO C=C[C@@H](C)NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000464754630 1036728547 /nfs/dbraw/zinc/72/85/47/1036728547.db2.gz GSKQRGGLSVEQQE-MRXNPFEDSA-N 1 1 329.488 3.825 20 30 EHEDMO C[C@H](c1nc2ccccc2s1)N1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000590153541 1036777629 /nfs/dbraw/zinc/77/76/29/1036777629.db2.gz AZGQYFIRIAJGMM-PMPSAXMXSA-N 1 1 340.496 3.667 20 30 EHEDMO N#CC1(CCC[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)CCOCC1 ZINC000282103183 1036847682 /nfs/dbraw/zinc/84/76/82/1036847682.db2.gz WFKVVXLICFZNJU-SFHVURJKSA-N 1 1 330.447 3.791 20 30 EHEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC001168184993 1036876470 /nfs/dbraw/zinc/87/64/70/1036876470.db2.gz YZRMLURQICNFPH-UXHICEINSA-N 1 1 342.483 3.733 20 30 EHEDMO Cn1c(Cl)nc(Cl)c1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000800895566 1036933294 /nfs/dbraw/zinc/93/32/94/1036933294.db2.gz HZNARMALPLMINM-UHFFFAOYSA-N 1 1 329.618 3.542 20 30 EHEDMO N#Cc1cccc(OCC[N@@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000109760940 1036950706 /nfs/dbraw/zinc/95/07/06/1036950706.db2.gz RAGGBHVLLJNHGU-UHFFFAOYSA-N 1 1 348.402 3.938 20 30 EHEDMO COc1cc(N[C@@H]2CCC[N@@H+](C[C@H](C)CCC#N)C2)cc(OC)c1 ZINC000590593890 1036960895 /nfs/dbraw/zinc/96/08/95/1036960895.db2.gz KCCWWPTXDIUMHA-HZPDHXFCSA-N 1 1 331.460 3.520 20 30 EHEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443661958 1036976335 /nfs/dbraw/zinc/97/63/35/1036976335.db2.gz UDQJVZGHMONNQJ-INIZCTEOSA-N 1 1 342.826 3.874 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443661958 1036976352 /nfs/dbraw/zinc/97/63/52/1036976352.db2.gz UDQJVZGHMONNQJ-INIZCTEOSA-N 1 1 342.826 3.874 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnn(Cc2ccccc2)c1 ZINC000487692029 1037252855 /nfs/dbraw/zinc/25/28/55/1037252855.db2.gz PTUGNNBEWUPBAQ-QGZVFWFLSA-N 1 1 330.435 3.996 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)cc(OC)c1O ZINC000539849743 1037277902 /nfs/dbraw/zinc/27/79/02/1037277902.db2.gz VXOKBDAFKJHGCG-WMZOPIPTSA-N 1 1 333.497 3.989 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)C2(C)CC2)c1C ZINC000177243798 1037438106 /nfs/dbraw/zinc/43/81/06/1037438106.db2.gz LIUSWAHJEFWHQM-KRWDZBQOSA-N 1 1 327.472 3.671 20 30 EHEDMO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccccc1 ZINC000181228929 1037457324 /nfs/dbraw/zinc/45/73/24/1037457324.db2.gz BWBHARWTIJEYGO-QGZVFWFLSA-N 1 1 345.240 3.798 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](C)CC1 ZINC000249834874 1037611275 /nfs/dbraw/zinc/61/12/75/1037611275.db2.gz RAEMXWATVAOPIL-QWHCGFSZSA-N 1 1 331.485 3.557 20 30 EHEDMO Cc1nn(-c2cc[nH+]cc2)cc1CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000591839146 1037647472 /nfs/dbraw/zinc/64/74/72/1037647472.db2.gz ZCIGZPBOUGJDDA-MRXNPFEDSA-N 1 1 331.423 3.640 20 30 EHEDMO CC[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@H]1CCOC1 ZINC000463030455 1037687191 /nfs/dbraw/zinc/68/71/91/1037687191.db2.gz SNQVDYOPNNICOF-HXUWFJFHSA-N 1 1 336.435 3.748 20 30 EHEDMO C[N@@H+](CCc1cccc(Nc2c(C#N)nnc3ccccc32)c1)C1CC1 ZINC000540337605 1037812042 /nfs/dbraw/zinc/81/20/42/1037812042.db2.gz IZJWRUVDDJLZHE-UHFFFAOYSA-N 1 1 343.434 3.882 20 30 EHEDMO CCN(Cc1ccncc1C#N)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000592066483 1037826355 /nfs/dbraw/zinc/82/63/55/1037826355.db2.gz IHGXAUUVESHZAS-DYESRHJHSA-N 1 1 334.467 3.611 20 30 EHEDMO COCC[N@@H+](CCCCC#N)Cc1cc(Br)cs1 ZINC000494090414 1037833285 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C=CCCCNC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279574825 1044246487 /nfs/dbraw/zinc/24/64/87/1044246487.db2.gz OUUHRLJRDRQJBF-IBGZPJMESA-N 1 1 329.488 3.506 20 30 EHEDMO CC[C@@H]([NH2+][C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1)c1ccc(C#N)cc1 ZINC000279584536 1044256061 /nfs/dbraw/zinc/25/60/61/1044256061.db2.gz UWYFMNPMDRWSCP-RHSMWYFYSA-N 1 1 346.438 3.849 20 30 EHEDMO Cc1ccc2nc(CNCc3cccc(OCCCC#N)c3)[nH]c2c1 ZINC000344733847 1044344378 /nfs/dbraw/zinc/34/43/78/1044344378.db2.gz VYWSGQQIGPXNHI-UHFFFAOYSA-N 1 1 334.423 3.844 20 30 EHEDMO Cc1ccc2[nH]c(C[NH2+]Cc3cccc(OCCCC#N)c3)nc2c1 ZINC000344733847 1044344396 /nfs/dbraw/zinc/34/43/96/1044344396.db2.gz VYWSGQQIGPXNHI-UHFFFAOYSA-N 1 1 334.423 3.844 20 30 EHEDMO Cc1ccc2nc(C[NH2+]Cc3cccc(OCCCC#N)c3)[nH]c2c1 ZINC000344733847 1044344414 /nfs/dbraw/zinc/34/44/14/1044344414.db2.gz VYWSGQQIGPXNHI-UHFFFAOYSA-N 1 1 334.423 3.844 20 30 EHEDMO C#CCC(C)(C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000185134379 1126773778 /nfs/dbraw/zinc/77/37/78/1126773778.db2.gz VTDPBUBZNUIYSA-QGZVFWFLSA-N 1 1 326.484 3.584 20 30 EHEDMO C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000325057542 1126931144 /nfs/dbraw/zinc/93/11/44/1126931144.db2.gz VWZICRLRSCBREC-ZBFHGGJFSA-N 1 1 344.842 3.644 20 30 EHEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)cc1 ZINC000185584192 1126949012 /nfs/dbraw/zinc/94/90/12/1126949012.db2.gz KZSFAFFWCNCNSI-IBGZPJMESA-N 1 1 343.467 3.642 20 30 EHEDMO C=C[C@H](CC(=O)Nc1c[nH+]ccc1-n1cc(C)cn1)c1ccccc1 ZINC000179535697 1127069860 /nfs/dbraw/zinc/06/98/60/1127069860.db2.gz ABMDWAKLHPCDOZ-MRXNPFEDSA-N 1 1 332.407 3.874 20 30 EHEDMO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000181641889 1127286938 /nfs/dbraw/zinc/28/69/38/1127286938.db2.gz FGUNVWUUOOTPQX-JTQLQIEISA-N 1 1 346.233 3.545 20 30 EHEDMO C[C@@H](C#N)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000183835408 1127388030 /nfs/dbraw/zinc/38/80/30/1127388030.db2.gz DVXLNGYLEDYLRY-HNNXBMFYSA-N 1 1 336.464 3.909 20 30 EHEDMO C[C@H](C#N)C[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000183817757 1127387514 /nfs/dbraw/zinc/38/75/14/1127387514.db2.gz HIEZISPENIZPED-BXKDBHETSA-N 1 1 340.267 3.808 20 30 EHEDMO C[C@@H](C#N)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000183838672 1127388180 /nfs/dbraw/zinc/38/81/80/1127388180.db2.gz LLVGAAKRTSNLQV-KRWDZBQOSA-N 1 1 330.435 3.848 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ncnc2ccsc21 ZINC000764836186 1127540427 /nfs/dbraw/zinc/54/04/27/1127540427.db2.gz WGJIHPOZHVBDTO-CYBMUJFWSA-N 1 1 337.452 3.611 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000765002893 1127563606 /nfs/dbraw/zinc/56/36/06/1127563606.db2.gz XLLOAPCROADVRS-INIZCTEOSA-N 1 1 341.842 3.702 20 30 EHEDMO C=C(Br)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000765610505 1127706532 /nfs/dbraw/zinc/70/65/32/1127706532.db2.gz RGDMKNXTDMFNMG-UHFFFAOYSA-N 1 1 326.234 3.640 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)s1 ZINC000552497626 1127758677 /nfs/dbraw/zinc/75/86/77/1127758677.db2.gz SCTOKHLHMWIOQY-HNNXBMFYSA-N 1 1 328.412 3.996 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000186165394 1127813051 /nfs/dbraw/zinc/81/30/51/1127813051.db2.gz UNYWCORSRUETKS-INIZCTEOSA-N 1 1 331.423 3.640 20 30 EHEDMO C=CC(C)(C)CCNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624465493 1128368861 /nfs/dbraw/zinc/36/88/61/1128368861.db2.gz SMXUPPZSRVPGIW-LJQANCHMSA-N 1 1 343.515 3.752 20 30 EHEDMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(C#N)cc1C ZINC000186299267 1128380040 /nfs/dbraw/zinc/38/00/40/1128380040.db2.gz ITYQJYYTTFKHJW-UHFFFAOYSA-N 1 1 335.451 3.944 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(C#N)cc1C ZINC000186299267 1128380043 /nfs/dbraw/zinc/38/00/43/1128380043.db2.gz ITYQJYYTTFKHJW-UHFFFAOYSA-N 1 1 335.451 3.944 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000301252926 1128580678 /nfs/dbraw/zinc/58/06/78/1128580678.db2.gz DPRPBVQNUSESDA-DOTOQJQBSA-N 1 1 342.443 3.557 20 30 EHEDMO N#Cc1ccc(Cl)cc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000301289995 1128582208 /nfs/dbraw/zinc/58/22/08/1128582208.db2.gz TUEIBANSHLMHEP-UHFFFAOYSA-N 1 1 341.842 3.656 20 30 EHEDMO C[C@H]1CCN(c2snc(Cl)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000301454695 1128592333 /nfs/dbraw/zinc/59/23/33/1128592333.db2.gz RPIDBCPGAXSMSP-ZDUSSCGKSA-N 1 1 346.887 3.769 20 30 EHEDMO CC(=O)c1ccc(C#N)cc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000302085102 1128618761 /nfs/dbraw/zinc/61/87/61/1128618761.db2.gz DRKKLKVAXGEKDX-LPHOPBHVSA-N 1 1 339.483 3.852 20 30 EHEDMO CC(=O)c1ccc(C#N)c(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000302101573 1128620191 /nfs/dbraw/zinc/62/01/91/1128620191.db2.gz LOHBWYMXVRXFAY-UHFFFAOYSA-N 1 1 347.462 3.862 20 30 EHEDMO CC(=O)c1ccc(C#N)c(N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000302101573 1128620194 /nfs/dbraw/zinc/62/01/94/1128620194.db2.gz LOHBWYMXVRXFAY-UHFFFAOYSA-N 1 1 347.462 3.862 20 30 EHEDMO Cc1ccc(N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)nc1C#N ZINC000302622683 1128638863 /nfs/dbraw/zinc/63/88/63/1128638863.db2.gz FRNWFQVKFXLZHG-OAHLLOKOSA-N 1 1 340.858 3.798 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cn2ccccc2c1C#N ZINC000303511326 1128681065 /nfs/dbraw/zinc/68/10/65/1128681065.db2.gz WZLNOTSZDLJZNZ-GOSISDBHSA-N 1 1 344.462 3.517 20 30 EHEDMO CC(C)[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC000428840810 1128730607 /nfs/dbraw/zinc/73/06/07/1128730607.db2.gz OZLWDQYLZHYXMW-KRWDZBQOSA-N 1 1 335.451 3.646 20 30 EHEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000109765297 1128749987 /nfs/dbraw/zinc/74/99/87/1128749987.db2.gz KXJYPJTVCWTLQA-UHFFFAOYSA-N 1 1 334.398 3.953 20 30 EHEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000921848146 1128820819 /nfs/dbraw/zinc/82/08/19/1128820819.db2.gz HCGZHFCMSNMBNJ-MRXNPFEDSA-N 1 1 331.423 3.607 20 30 EHEDMO N#Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000111391301 1128864216 /nfs/dbraw/zinc/86/42/16/1128864216.db2.gz CIDFHKRHVSGFMN-FRIKZZABSA-N 1 1 331.463 3.843 20 30 EHEDMO N#Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000111391301 1128864221 /nfs/dbraw/zinc/86/42/21/1128864221.db2.gz CIDFHKRHVSGFMN-FRIKZZABSA-N 1 1 331.463 3.843 20 30 EHEDMO CC[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076154985 1128905501 /nfs/dbraw/zinc/90/55/01/1128905501.db2.gz SNKMQDIIBHECMA-JOCHJYFZSA-N 1 1 333.479 3.902 20 30 EHEDMO CC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076154985 1128905503 /nfs/dbraw/zinc/90/55/03/1128905503.db2.gz SNKMQDIIBHECMA-JOCHJYFZSA-N 1 1 333.479 3.902 20 30 EHEDMO CCN(Cc1ccc(C#N)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076154985 1128905504 /nfs/dbraw/zinc/90/55/04/1128905504.db2.gz SNKMQDIIBHECMA-JOCHJYFZSA-N 1 1 333.479 3.902 20 30 EHEDMO CCN(Cc1ccc(C#N)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076154985 1128905506 /nfs/dbraw/zinc/90/55/06/1128905506.db2.gz SNKMQDIIBHECMA-JOCHJYFZSA-N 1 1 333.479 3.902 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccoc1 ZINC000102408026 1120309572 /nfs/dbraw/zinc/30/95/72/1120309572.db2.gz ZTLNQZYHTUJGJD-UHFFFAOYSA-N 1 1 331.803 3.655 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309789429 1128914828 /nfs/dbraw/zinc/91/48/28/1128914828.db2.gz OGRJWTNTVDLIEM-NVXWUHKLSA-N 1 1 325.481 3.620 20 30 EHEDMO C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000494404641 1120550471 /nfs/dbraw/zinc/55/04/71/1120550471.db2.gz KMVWZUYVVCDNFW-BHIYHBOVSA-N 1 1 327.472 3.572 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCS[C@@H](C)CC1 ZINC000192189338 1120723768 /nfs/dbraw/zinc/72/37/68/1120723768.db2.gz NYMLTYLASILEAD-AWEZNQCLSA-N 1 1 336.526 3.731 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCS[C@@H](C)CC1 ZINC000192189338 1120723773 /nfs/dbraw/zinc/72/37/73/1120723773.db2.gz NYMLTYLASILEAD-AWEZNQCLSA-N 1 1 336.526 3.731 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000494711236 1120738644 /nfs/dbraw/zinc/73/86/44/1120738644.db2.gz NWNYEFLDLVOMQF-HZPDHXFCSA-N 1 1 333.476 3.544 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@H+]1CC1(C#N)CC1 ZINC000494711236 1120738648 /nfs/dbraw/zinc/73/86/48/1120738648.db2.gz NWNYEFLDLVOMQF-HZPDHXFCSA-N 1 1 333.476 3.544 20 30 EHEDMO COc1ccc(O)c(/C=N/CC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC000914557850 1120896131 /nfs/dbraw/zinc/89/61/31/1120896131.db2.gz MKDYTWDDCOZYJB-LPYMAVHISA-N 1 1 338.451 3.657 20 30 EHEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+]([C@H](C)Cc1cccc(F)c1)C2 ZINC001168478671 1120972953 /nfs/dbraw/zinc/97/29/53/1120972953.db2.gz HYVIOVZLQDFNRO-UTKZUKDTSA-N 1 1 344.474 3.790 20 30 EHEDMO CCCC[C@H](CC)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C)C#N)CC2 ZINC001272610280 1121229095 /nfs/dbraw/zinc/22/90/95/1121229095.db2.gz DEGTVBYPWUNNKY-MSOLQXFVSA-N 1 1 333.520 3.677 20 30 EHEDMO C=C(C)COc1cc(CN[C@@H](C)C[NH+]2CCCCC2)ccc1OC ZINC000237259049 1121478012 /nfs/dbraw/zinc/47/80/12/1121478012.db2.gz VZTJRFYOYPTITR-KRWDZBQOSA-N 1 1 332.488 3.614 20 30 EHEDMO Cc1ccccc1C1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000544528296 1121869913 /nfs/dbraw/zinc/86/99/13/1121869913.db2.gz GUHRFPIYOHXJPY-UHFFFAOYSA-N 1 1 333.435 3.685 20 30 EHEDMO C#Cc1ccc(C[N@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000496419357 1122077335 /nfs/dbraw/zinc/07/73/35/1122077335.db2.gz KJUSOACBVKMOGI-INIZCTEOSA-N 1 1 334.419 3.818 20 30 EHEDMO C[N@H+](Cc1ccc2ccccc2c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000032770060 1122092603 /nfs/dbraw/zinc/09/26/03/1122092603.db2.gz RHTWWVBMUHSRDO-OAQYLSRUSA-N 1 1 346.430 3.583 20 30 EHEDMO C[N@H+](Cc1ccc2ccccc2c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000032770062 1122093045 /nfs/dbraw/zinc/09/30/45/1122093045.db2.gz RHTWWVBMUHSRDO-NRFANRHFSA-N 1 1 346.430 3.583 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC000499579037 1129040557 /nfs/dbraw/zinc/04/05/57/1129040557.db2.gz LTEKTASJTPTHBY-HOTGVXAUSA-N 1 1 331.460 3.588 20 30 EHEDMO C#CC[N@H+](Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCc2ccccc21 ZINC000125732220 1122328834 /nfs/dbraw/zinc/32/88/34/1122328834.db2.gz DZNALISIFSEEMN-NRFANRHFSA-N 1 1 332.447 3.511 20 30 EHEDMO COc1cc(C[N@@H+](C)Cc2cccc(OCCCC#N)c2)ccc1O ZINC000125962102 1122367311 /nfs/dbraw/zinc/36/73/11/1122367311.db2.gz DELGIYBKMYPQIG-UHFFFAOYSA-N 1 1 340.423 3.715 20 30 EHEDMO CCN(CC)c1ccc(C[N@@H+](C)CCOc2cccc(C#N)c2)cc1 ZINC000917019371 1122440574 /nfs/dbraw/zinc/44/05/74/1122440574.db2.gz CMMNGUCTZSZWSA-UHFFFAOYSA-N 1 1 337.467 3.915 20 30 EHEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000497384700 1122530735 /nfs/dbraw/zinc/53/07/35/1122530735.db2.gz FFXISHBWEFZEJF-NRFANRHFSA-N 1 1 335.451 3.504 20 30 EHEDMO C=CC[N@@H+](CC(=O)NCc1ccccc1OC1CCCC1)C(C)C ZINC000917167839 1122543754 /nfs/dbraw/zinc/54/37/54/1122543754.db2.gz CUHOMDKKFVZQOF-UHFFFAOYSA-N 1 1 330.472 3.521 20 30 EHEDMO CC[N@@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000497618193 1122611278 /nfs/dbraw/zinc/61/12/78/1122611278.db2.gz FIJNLWXNEIXTDV-MIALQEHNSA-N 1 1 341.499 3.882 20 30 EHEDMO C[C@H](C#N)C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000229687157 1122820131 /nfs/dbraw/zinc/82/01/31/1122820131.db2.gz PHKJTOAPXGBGGL-MRVPVSSYSA-N 1 1 337.139 3.597 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(C)(C)CC1 ZINC000556385607 1122958540 /nfs/dbraw/zinc/95/85/40/1122958540.db2.gz OGXBXSMRXANGPN-OAHLLOKOSA-N 1 1 345.512 3.999 20 30 EHEDMO CC(C)c1ccc(C[N@@H+](CCC(=O)N(C)CCC#N)C2CC2)cc1 ZINC000130893521 1123018653 /nfs/dbraw/zinc/01/86/53/1123018653.db2.gz OBJWOGCFJPUFCB-UHFFFAOYSA-N 1 1 327.472 3.537 20 30 EHEDMO N#CCCCOc1cccc(C[NH2+]Cc2nc(C3CC3)cs2)c1 ZINC000131103593 1123043481 /nfs/dbraw/zinc/04/34/81/1123043481.db2.gz ACYXYOJKBUTLHU-UHFFFAOYSA-N 1 1 327.453 3.993 20 30 EHEDMO N#Cc1ccc(C[N@H+](CCC(=O)Nc2ccc(F)cc2)C2CC2)cc1 ZINC000194959737 1123093250 /nfs/dbraw/zinc/09/32/50/1123093250.db2.gz VGNPMZYZYXYFEZ-UHFFFAOYSA-N 1 1 337.398 3.691 20 30 EHEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000499047419 1123163802 /nfs/dbraw/zinc/16/38/02/1123163802.db2.gz FFGIUHZRCCGQSA-HNNXBMFYSA-N 1 1 346.471 3.623 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000499047419 1123163806 /nfs/dbraw/zinc/16/38/06/1123163806.db2.gz FFGIUHZRCCGQSA-HNNXBMFYSA-N 1 1 346.471 3.623 20 30 EHEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000499058561 1123171762 /nfs/dbraw/zinc/17/17/62/1123171762.db2.gz ZHTPXANJTGAQAH-HNNXBMFYSA-N 1 1 346.471 3.922 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000499058561 1123171764 /nfs/dbraw/zinc/17/17/64/1123171764.db2.gz ZHTPXANJTGAQAH-HNNXBMFYSA-N 1 1 346.471 3.922 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)o1 ZINC000556910014 1123197726 /nfs/dbraw/zinc/19/77/26/1123197726.db2.gz RXWSOCKELPQAAT-AWEZNQCLSA-N 1 1 345.240 3.978 20 30 EHEDMO C#CCNC(=O)C[N@@H+](Cc1ccc(-c2cccc(F)c2)s1)C(C)C ZINC000920418334 1123366877 /nfs/dbraw/zinc/36/68/77/1123366877.db2.gz KTUZXXZHAQEWRX-UHFFFAOYSA-N 1 1 344.455 3.514 20 30 EHEDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000134626442 1123537949 /nfs/dbraw/zinc/53/79/49/1123537949.db2.gz GQQJPPDHDMVZLU-MAUKXSAKSA-N 1 1 346.446 3.555 20 30 EHEDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000134626442 1123537953 /nfs/dbraw/zinc/53/79/53/1123537953.db2.gz GQQJPPDHDMVZLU-MAUKXSAKSA-N 1 1 346.446 3.555 20 30 EHEDMO CC(C)[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000609385112 1123567702 /nfs/dbraw/zinc/56/77/02/1123567702.db2.gz PEOXAHXZEFMGCD-GJZGRUSLSA-N 1 1 333.501 3.853 20 30 EHEDMO CC[N@@H+](CCOc1cccc(C#N)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000609432198 1123578309 /nfs/dbraw/zinc/57/83/09/1123578309.db2.gz QWLRNXHPPVVFSS-QGZVFWFLSA-N 1 1 338.451 3.899 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000610133169 1123739122 /nfs/dbraw/zinc/73/91/22/1123739122.db2.gz WRKZDQCUPHNXAY-KRWDZBQOSA-N 1 1 340.398 3.574 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)N2CC[C@@H](C[N@H+](C)CCC)C2)c1 ZINC000080186893 1123744311 /nfs/dbraw/zinc/74/43/11/1123744311.db2.gz DVTVRQICFRCNBQ-KRWDZBQOSA-N 1 1 345.487 3.837 20 30 EHEDMO C#CCCOc1ccc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)cc1 ZINC000179531161 1123790554 /nfs/dbraw/zinc/79/05/54/1123790554.db2.gz MYOOTRRCUAWMND-UHFFFAOYSA-N 1 1 348.446 3.605 20 30 EHEDMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cc(F)ccc1F ZINC000179782526 1123854450 /nfs/dbraw/zinc/85/44/50/1123854450.db2.gz QRBHNJIQVHBCGR-KPZWWZAWSA-N 1 1 343.377 3.904 20 30 EHEDMO C=CCC[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617000335 1124069187 /nfs/dbraw/zinc/06/91/87/1124069187.db2.gz YECGXLTUIXHCGE-MJGOQNOKSA-N 1 1 328.500 3.973 20 30 EHEDMO C=CC[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000249567756 1124766282 /nfs/dbraw/zinc/76/62/82/1124766282.db2.gz NMKSYAQGYYMUHZ-UYAOXDASSA-N 1 1 328.500 3.975 20 30 EHEDMO C=CC[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000249567753 1124766332 /nfs/dbraw/zinc/76/63/32/1124766332.db2.gz NMKSYAQGYYMUHZ-AZUAARDMSA-N 1 1 328.500 3.975 20 30 EHEDMO CCOCCC[N@H+]1CCC(N=Nc2nc3ccccc3s2)[C@H](C)C1 ZINC000735223658 1131318299 /nfs/dbraw/zinc/31/82/99/1131318299.db2.gz FLGNICJAWFIPOV-CQSZACIVSA-N 1 1 346.500 3.833 20 30 EHEDMO C=CCOc1ccccc1C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000735213538 1131322552 /nfs/dbraw/zinc/32/25/52/1131322552.db2.gz PECGKIRVOZUHTM-GOSISDBHSA-N 1 1 337.419 3.683 20 30 EHEDMO C=CC[C@@H]1[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCCC1(C)C ZINC000618327854 1125047125 /nfs/dbraw/zinc/04/71/25/1125047125.db2.gz WLCNYJXJKFFKIT-ICSRJNTNSA-N 1 1 342.483 3.559 20 30 EHEDMO C#CCOc1ccccc1C[NH2+]Cc1ccsc1Br ZINC000388527153 1125048252 /nfs/dbraw/zinc/04/82/52/1125048252.db2.gz GDGNIQDZEYYESS-UHFFFAOYSA-N 1 1 336.254 3.812 20 30 EHEDMO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735306128 1131329634 /nfs/dbraw/zinc/32/96/34/1131329634.db2.gz IYJBPOMUCOZEEE-KRWDZBQOSA-N 1 1 329.831 3.918 20 30 EHEDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735306128 1131329641 /nfs/dbraw/zinc/32/96/41/1131329641.db2.gz IYJBPOMUCOZEEE-KRWDZBQOSA-N 1 1 329.831 3.918 20 30 EHEDMO C[N@@H+](CCOc1ccccc1F)Cc1cc(Cl)ccc1OCC#N ZINC000735306223 1131330037 /nfs/dbraw/zinc/33/00/37/1131330037.db2.gz KSVKUBMSFPNWTJ-UHFFFAOYSA-N 1 1 348.805 3.892 20 30 EHEDMO COc1ccc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)cc1OCCCC#N ZINC000092541222 1125126463 /nfs/dbraw/zinc/12/64/63/1125126463.db2.gz XIYCPFDEQHXQTB-GASCZTMLSA-N 1 1 334.485 3.704 20 30 EHEDMO CC(C)[C@@H]1CCCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000735311463 1131334836 /nfs/dbraw/zinc/33/48/36/1131334836.db2.gz KXARZLKTIAOWKE-AEFFLSMTSA-N 1 1 348.450 3.734 20 30 EHEDMO Cc1c([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)nnn1-c1ccccc1 ZINC000618805454 1125207399 /nfs/dbraw/zinc/20/73/99/1125207399.db2.gz OHBLIBPXWOARTH-VBKZILBWSA-N 1 1 343.434 3.786 20 30 EHEDMO N#CC1(CCC[N@H+]2CCC[C@H]2c2nc3c([nH]2)CCCC3)CCOCC1 ZINC000619621494 1125374536 /nfs/dbraw/zinc/37/45/36/1125374536.db2.gz CHCJTJTVSNJBSB-SFHVURJKSA-N 1 1 342.487 3.526 20 30 EHEDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc(C(F)(F)F)c(C#N)n2)C1 ZINC000619696809 1125383313 /nfs/dbraw/zinc/38/33/13/1125383313.db2.gz LBXVMWRZBLADLD-OAHLLOKOSA-N 1 1 332.329 3.571 20 30 EHEDMO COc1ccc2c(c1)OCC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C2 ZINC000619810428 1125414319 /nfs/dbraw/zinc/41/43/19/1125414319.db2.gz PNVYXCGUPRKYMI-UHFFFAOYSA-N 1 1 336.435 3.891 20 30 EHEDMO COc1ccc2c(c1)OCC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C2 ZINC000619810428 1125414321 /nfs/dbraw/zinc/41/43/21/1125414321.db2.gz PNVYXCGUPRKYMI-UHFFFAOYSA-N 1 1 336.435 3.891 20 30 EHEDMO COCC[N@@H+](C)CCCC1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000499663518 1129274953 /nfs/dbraw/zinc/27/49/53/1129274953.db2.gz VKQJVGGKKVILFB-UHFFFAOYSA-N 1 1 349.906 3.786 20 30 EHEDMO Cc1cc(C)cc(N=NC(C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000735612610 1131363829 /nfs/dbraw/zinc/36/38/29/1131363829.db2.gz RKIZCXCBARADOS-NRFANRHFSA-N 1 1 337.467 3.992 20 30 EHEDMO Cc1cc(C)cc(N=NC(C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000735612610 1131363834 /nfs/dbraw/zinc/36/38/34/1131363834.db2.gz RKIZCXCBARADOS-NRFANRHFSA-N 1 1 337.467 3.992 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C(C)(C)C)C2)c1C ZINC000543249617 1129372495 /nfs/dbraw/zinc/37/24/95/1129372495.db2.gz LWICVYCGWYFETL-SFHVURJKSA-N 1 1 341.499 3.918 20 30 EHEDMO C=CC[C@H](CC)NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000466378398 1129409912 /nfs/dbraw/zinc/40/99/12/1129409912.db2.gz LYYHTDRWPKZPQL-MJGOQNOKSA-N 1 1 329.488 3.647 20 30 EHEDMO COCC[N@H+](Cc1cnc(C(C)(C)C)s1)Cc1ccc(C#N)cc1 ZINC000092567901 1129552505 /nfs/dbraw/zinc/55/25/05/1129552505.db2.gz ZMAZDCXEGAMHAD-UHFFFAOYSA-N 1 1 343.496 3.961 20 30 EHEDMO COCC[N@@H+](Cc1cnc(C(C)(C)C)s1)Cc1ccc(C#N)cc1 ZINC000092567901 1129552507 /nfs/dbraw/zinc/55/25/07/1129552507.db2.gz ZMAZDCXEGAMHAD-UHFFFAOYSA-N 1 1 343.496 3.961 20 30 EHEDMO N#Cc1c(F)cccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000428942788 1129624733 /nfs/dbraw/zinc/62/47/33/1129624733.db2.gz OIDMNNMJRJSKIY-SBHAEUEKSA-N 1 1 336.410 3.702 20 30 EHEDMO CC(C)CC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CCCC1 ZINC000391684292 1129679544 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COc1ccc(OC(F)F)c(C[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000171841511 1130091566 /nfs/dbraw/zinc/09/15/66/1130091566.db2.gz OWDQYIAIVJSRID-UHFFFAOYSA-N 1 1 336.313 3.597 20 30 EHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000174744357 1130382240 /nfs/dbraw/zinc/38/22/40/1130382240.db2.gz HVYJFCPTZPZKAB-GOSISDBHSA-N 1 1 346.352 3.724 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000175114451 1130407128 /nfs/dbraw/zinc/40/71/28/1130407128.db2.gz AGLBACYSVSTWJL-GOSISDBHSA-N 1 1 339.439 3.511 20 30 EHEDMO N#CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)cc1 ZINC000731212274 1130777277 /nfs/dbraw/zinc/77/72/77/1130777277.db2.gz CHWULSYCLDVIHP-SFTDATJTSA-N 1 1 336.435 3.677 20 30 EHEDMO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000732204005 1130899747 /nfs/dbraw/zinc/89/97/47/1130899747.db2.gz OITIMBPNMJOIGC-YOEHRIQHSA-N 1 1 339.405 3.932 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347957852 1131104941 /nfs/dbraw/zinc/10/49/41/1131104941.db2.gz MRRDFLPBGGTIKK-MRXNPFEDSA-N 1 1 331.419 3.675 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347957852 1131104943 /nfs/dbraw/zinc/10/49/43/1131104943.db2.gz MRRDFLPBGGTIKK-MRXNPFEDSA-N 1 1 331.419 3.675 20 30 EHEDMO C[C@H]1CC(N=Nc2nccnc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000734299913 1131216616 /nfs/dbraw/zinc/21/66/16/1131216616.db2.gz ZVNNSBZMXSOCMH-ZDUSSCGKSA-N 1 1 329.835 3.582 20 30 EHEDMO C=C(Cl)CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000736398760 1131419229 /nfs/dbraw/zinc/41/92/29/1131419229.db2.gz FIZXXLOXEIDQLZ-OAHLLOKOSA-N 1 1 335.879 3.613 20 30 EHEDMO Cc1cccc(C2(O)CC[NH+](Cc3cc(C#N)ccc3F)CC2)c1C ZINC000741807396 1131650359 /nfs/dbraw/zinc/65/03/59/1131650359.db2.gz AQQSHNGWVKYEKR-UHFFFAOYSA-N 1 1 338.426 3.798 20 30 EHEDMO C/C(=C/C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000742501735 1131739051 /nfs/dbraw/zinc/73/90/51/1131739051.db2.gz SIUKODKRUDRRNT-VKAVYKQESA-N 1 1 339.483 3.585 20 30 EHEDMO C[C@@H](CCCC#N)[N@H+]1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001172495332 1131758812 /nfs/dbraw/zinc/75/88/12/1131758812.db2.gz DQZDSVQONJYZLL-GUDXXQAFSA-N 1 1 331.485 3.865 20 30 EHEDMO CCOC(=O)[C@H]1CC[N@H+]([C@@H](C)CCCC#N)C[C@H]1c1ccccc1 ZINC001172498456 1131760340 /nfs/dbraw/zinc/76/03/40/1131760340.db2.gz NBWJURUDVCILEM-WDSOQIARSA-N 1 1 328.456 3.738 20 30 EHEDMO CCCCCCCC[C@@H](CC)[N@H+]1Cc2nnn(C)c2[C@@H](COC)C1 ZINC001172504523 1131762049 /nfs/dbraw/zinc/76/20/49/1131762049.db2.gz FULVDRTXGYXALP-IAGOWNOFSA-N 1 1 336.524 3.890 20 30 EHEDMO CCCCCCCC[C@@H](CC)[N@@H+]1Cc2nnn(C)c2[C@@H](COC)C1 ZINC001172504523 1131762055 /nfs/dbraw/zinc/76/20/55/1131762055.db2.gz FULVDRTXGYXALP-IAGOWNOFSA-N 1 1 336.524 3.890 20 30 EHEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172566316 1131774567 /nfs/dbraw/zinc/77/45/67/1131774567.db2.gz VQILQPUKLYXZQY-QYZOEREBSA-N 1 1 328.456 3.699 20 30 EHEDMO CCCC[C@H]1C[C@H]([N@@H+]2CC[C@H](C#N)C2)CCN1C(=O)OC(C)(C)C 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20 30 EHEDMO CCCCCCC[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000776860551 1136747954 /nfs/dbraw/zinc/74/79/54/1136747954.db2.gz OBZKJKGGLFCPSF-UHFFFAOYSA-N 1 1 336.427 3.649 20 30 EHEDMO C=CCCCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000856169067 1136761161 /nfs/dbraw/zinc/76/11/61/1136761161.db2.gz CNXXONGPVKSBLW-IBGZPJMESA-N 1 1 326.484 3.761 20 30 EHEDMO CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000817944054 1136849770 /nfs/dbraw/zinc/84/97/70/1136849770.db2.gz XCMRIDHBVSVGKG-FGZHOGPDSA-N 1 1 348.494 3.681 20 30 EHEDMO CC(C)(C)[C@@]1(C=NNC2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000857208765 1136854320 /nfs/dbraw/zinc/85/43/20/1136854320.db2.gz HLTSFZLGQZVBCH-OAQYLSRUSA-N 1 1 343.515 3.679 20 30 EHEDMO Cc1ccc(O[C@@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)nc1 ZINC000858042133 1136934374 /nfs/dbraw/zinc/93/43/74/1136934374.db2.gz PDRKRQYFZUUVBF-GOSISDBHSA-N 1 1 326.827 3.548 20 30 EHEDMO Cc1ccc(O[C@@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)nc1 ZINC000858042133 1136934375 /nfs/dbraw/zinc/93/43/75/1136934375.db2.gz PDRKRQYFZUUVBF-GOSISDBHSA-N 1 1 326.827 3.548 20 30 EHEDMO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccncc2Cl)ccc1OC ZINC000858136819 1136942775 /nfs/dbraw/zinc/94/27/75/1136942775.db2.gz VGQFPHDUXOODBY-HNNXBMFYSA-N 1 1 345.830 3.714 20 30 EHEDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1C(C)(C)C#N ZINC000859530369 1137018508 /nfs/dbraw/zinc/01/85/08/1137018508.db2.gz NWULNSSKPHAUBY-UHFFFAOYSA-N 1 1 345.487 3.834 20 30 EHEDMO C=C(C)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000859602836 1137022112 /nfs/dbraw/zinc/02/21/12/1137022112.db2.gz DKMCJUZDTJRNNM-STQMWFEESA-N 1 1 336.398 3.588 20 30 EHEDMO C=C(Br)C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000860046685 1137041705 /nfs/dbraw/zinc/04/17/05/1137041705.db2.gz CVOXFZNENFMJNO-GFCCVEGCSA-N 1 1 339.060 3.915 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000822525842 1137062103 /nfs/dbraw/zinc/06/21/03/1137062103.db2.gz PCEIYQXUPYXZKH-GOSISDBHSA-N 1 1 348.494 3.503 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000822525842 1137062105 /nfs/dbraw/zinc/06/21/05/1137062105.db2.gz PCEIYQXUPYXZKH-GOSISDBHSA-N 1 1 348.494 3.503 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000822525842 1137062106 /nfs/dbraw/zinc/06/21/06/1137062106.db2.gz PCEIYQXUPYXZKH-GOSISDBHSA-N 1 1 348.494 3.503 20 30 EHEDMO CCC(C#N)(CC)C(=O)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000860549162 1137065922 /nfs/dbraw/zinc/06/59/22/1137065922.db2.gz LWWVFRQCILXILT-GOSISDBHSA-N 1 1 328.456 3.772 20 30 EHEDMO COCC[N@@H+](CC[C@H]1CC1(Cl)Cl)Cc1ccc(C#N)cc1 ZINC000822592798 1137067226 /nfs/dbraw/zinc/06/72/26/1137067226.db2.gz JOOZAKIRWPYBQW-HNNXBMFYSA-N 1 1 327.255 3.591 20 30 EHEDMO C#CCOc1ccccc1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000823888305 1137118606 /nfs/dbraw/zinc/11/86/06/1137118606.db2.gz ZLFKWPPROKUFIJ-HNNXBMFYSA-N 1 1 331.337 3.893 20 30 EHEDMO COc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)cc1C#N ZINC000824027900 1137121922 /nfs/dbraw/zinc/12/19/22/1137121922.db2.gz RKUFFRWPMKVOSM-CQSZACIVSA-N 1 1 332.325 3.761 20 30 EHEDMO CCCCCCCCCC(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000861986046 1137126278 /nfs/dbraw/zinc/12/62/78/1137126278.db2.gz LBITWRXKMOWTBK-UHFFFAOYSA-N 1 1 338.536 3.840 20 30 EHEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)cc1 ZINC000862541487 1137149184 /nfs/dbraw/zinc/14/91/84/1137149184.db2.gz VFDJJZKMDLFAKP-LJQANCHMSA-N 1 1 335.451 3.732 20 30 EHEDMO C#CC[C@@H]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000862564792 1137150420 /nfs/dbraw/zinc/15/04/20/1137150420.db2.gz HYOMMCBTLVNYNP-LJQANCHMSA-N 1 1 346.474 3.804 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000824893053 1137156021 /nfs/dbraw/zinc/15/60/21/1137156021.db2.gz JISWHBMCXZRXKO-AHRSYUTCSA-N 1 1 340.467 3.759 20 30 EHEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(N2CCCC2=O)cc1 ZINC000794460371 1137163312 /nfs/dbraw/zinc/16/33/12/1137163312.db2.gz YENUAMVYGAIQOW-CQSZACIVSA-N 1 1 337.398 3.675 20 30 EHEDMO C#C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)c1ccc(Cl)cc1 ZINC000843890872 1137186827 /nfs/dbraw/zinc/18/68/27/1137186827.db2.gz FLFJVHUETQMGAI-BBRMVZONSA-N 1 1 329.831 3.541 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(F)cc(F)c1C)C2 ZINC001143764151 1137196705 /nfs/dbraw/zinc/19/67/05/1137196705.db2.gz KUPMWJSESOUUFL-HKUYNNGSSA-N 1 1 337.410 3.599 20 30 EHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)c1c(F)cccc1F ZINC000119653012 1137204399 /nfs/dbraw/zinc/20/43/99/1137204399.db2.gz ZQCQZVIASIXMIW-GOSISDBHSA-N 1 1 328.362 3.558 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC23CCCC3)cc1C ZINC000844356372 1137215105 /nfs/dbraw/zinc/21/51/05/1137215105.db2.gz AUKGZUVOLOFABZ-UHFFFAOYSA-N 1 1 325.456 3.569 20 30 EHEDMO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](c3ccc(C)cc3C)C2)c1=S ZINC000794653488 1137223939 /nfs/dbraw/zinc/22/39/39/1137223939.db2.gz ABFJQXSBQNCLRM-QGZVFWFLSA-N 1 1 342.512 3.972 20 30 EHEDMO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](c3ccc(C)cc3C)C2)c1=S ZINC000794653488 1137223941 /nfs/dbraw/zinc/22/39/41/1137223941.db2.gz ABFJQXSBQNCLRM-QGZVFWFLSA-N 1 1 342.512 3.972 20 30 EHEDMO C=CCn1c2ccccc2n(C[N@H+]2CCC[C@](C)(O)CC2)c1=S ZINC000794673160 1137224946 /nfs/dbraw/zinc/22/49/46/1137224946.db2.gz QPDBFXONWBGXRN-SFHVURJKSA-N 1 1 331.485 3.553 20 30 EHEDMO C=CCn1c2ccccc2n(C[N@@H+]2CCC[C@](C)(O)CC2)c1=S ZINC000794673160 1137224947 /nfs/dbraw/zinc/22/49/47/1137224947.db2.gz QPDBFXONWBGXRN-SFHVURJKSA-N 1 1 331.485 3.553 20 30 EHEDMO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844471360 1137227113 /nfs/dbraw/zinc/22/71/13/1137227113.db2.gz QGHQRMUISSJXFH-DMVFFGLYSA-N 1 1 346.421 3.598 20 30 EHEDMO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844471360 1137227114 /nfs/dbraw/zinc/22/71/14/1137227114.db2.gz QGHQRMUISSJXFH-DMVFFGLYSA-N 1 1 346.421 3.598 20 30 EHEDMO C=CCC(C)(C)C(=O)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001144068627 1137234259 /nfs/dbraw/zinc/23/42/59/1137234259.db2.gz OEKCLCPDLSEMTJ-NRFANRHFSA-N 1 1 344.474 3.995 20 30 EHEDMO C=CCC(C)(C)C(=O)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001144068627 1137234261 /nfs/dbraw/zinc/23/42/61/1137234261.db2.gz OEKCLCPDLSEMTJ-NRFANRHFSA-N 1 1 344.474 3.995 20 30 EHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cccc(CC)c1)C2 ZINC001144321155 1137271916 /nfs/dbraw/zinc/27/19/16/1137271916.db2.gz ATNNMLDXPXEEKW-NHCUHLMSSA-N 1 1 329.484 3.823 20 30 EHEDMO CC(C)(C)OC(=O)c1ccccc1C[NH2+]Cc1cc(C#N)cs1 ZINC000865730354 1137307429 /nfs/dbraw/zinc/30/74/29/1137307429.db2.gz QVFYCHQQKQYIBU-UHFFFAOYSA-N 1 1 328.437 3.865 20 30 EHEDMO C#Cc1ccc(C[NH+]2C[C@@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001144568715 1137311209 /nfs/dbraw/zinc/31/12/09/1137311209.db2.gz CQVZJBAGHLVNCH-GOTSBHOMSA-N 1 1 330.475 3.540 20 30 EHEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3C[C@H]4[C@@H](C3)C4(F)F)c2)c1 ZINC000846112887 1137333569 /nfs/dbraw/zinc/33/35/69/1137333569.db2.gz UIMALYHMTWRVBB-KDURUIRLSA-N 1 1 340.373 3.834 20 30 EHEDMO C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(C#N)c1[O-] ZINC000866228032 1137336708 /nfs/dbraw/zinc/33/67/08/1137336708.db2.gz FCJQJVNGNGYJDH-KRWDZBQOSA-N 1 1 349.478 3.622 20 30 EHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc3scnc3c1)C2 ZINC001144737629 1137341078 /nfs/dbraw/zinc/34/10/78/1137341078.db2.gz XPLXCFWKBVULKT-QFBILLFUSA-N 1 1 344.480 3.622 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCN([C@@H](C)c2ccccc2)CC1 ZINC001171220592 1137346079 /nfs/dbraw/zinc/34/60/79/1137346079.db2.gz AFRZUOVZPAZLSD-MOPGFXCFSA-N 1 1 333.479 3.868 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCN([C@@H](C)c2ccccc2)CC1 ZINC001171220598 1137346152 /nfs/dbraw/zinc/34/61/52/1137346152.db2.gz AFRZUOVZPAZLSD-OALUTQOASA-N 1 1 333.479 3.868 20 30 EHEDMO Cc1nc(C[NH+]2CCC(CNc3ccc(C#N)cc3C)CC2)oc1C ZINC000846750693 1137364575 /nfs/dbraw/zinc/36/45/75/1137364575.db2.gz ZXSDDMRLAJSIOT-UHFFFAOYSA-N 1 1 338.455 3.796 20 30 EHEDMO C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000866618309 1137369923 /nfs/dbraw/zinc/36/99/23/1137369923.db2.gz YOOIOKSXMHJJAE-AMHTUMDSSA-N 1 1 345.490 3.526 20 30 EHEDMO Fc1cccc(N=NC2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000795008335 1137406139 /nfs/dbraw/zinc/40/61/39/1137406139.db2.gz FVTXFJKDMVHBLU-DLBZAZTESA-N 1 1 338.430 3.921 20 30 EHEDMO C=CCCCCC[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1nccs1 ZINC000348128084 1137443934 /nfs/dbraw/zinc/44/39/34/1137443934.db2.gz YWTFGEBQFPGZTR-JKSUJKDBSA-N 1 1 325.497 3.734 20 30 EHEDMO C#CCOc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000773078155 1137463619 /nfs/dbraw/zinc/46/36/19/1137463619.db2.gz VFEPCLQUQXJLOH-OALUTQOASA-N 1 1 328.500 3.717 20 30 EHEDMO C#CCOc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000773078155 1137463620 /nfs/dbraw/zinc/46/36/20/1137463620.db2.gz VFEPCLQUQXJLOH-OALUTQOASA-N 1 1 328.500 3.717 20 30 EHEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(F)cc(Br)c2F)no1 ZINC001247622784 1137468846 /nfs/dbraw/zinc/46/88/46/1137468846.db2.gz RXPXWYOHNNEWEO-SNVBAGLBSA-N 1 1 344.159 3.743 20 30 EHEDMO C[C@@H]1C[C@@H](NC2(c3ccc(C#N)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171733667 1137505902 /nfs/dbraw/zinc/50/59/02/1137505902.db2.gz XOIYQTZIBADCIA-DYESRHJHSA-N 1 1 331.463 3.800 20 30 EHEDMO C[C@@H]1C[C@@H](NC2(c3ccc(C#N)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171733667 1137505904 /nfs/dbraw/zinc/50/59/04/1137505904.db2.gz XOIYQTZIBADCIA-DYESRHJHSA-N 1 1 331.463 3.800 20 30 EHEDMO C[C@@H]1C[C@@H](N2CCc3ccc(C#N)cc3C2)C[N@H+]1Cc1ccccc1 ZINC001171749116 1137508290 /nfs/dbraw/zinc/50/82/90/1137508290.db2.gz HRJRXLIYJMPOLB-VGOFRKELSA-N 1 1 331.463 3.579 20 30 EHEDMO C[C@H]1C[C@@H](NCc2ccc(Cl)c(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC001171739752 1137511281 /nfs/dbraw/zinc/51/12/81/1137511281.db2.gz GEJHDRNJKWVBPX-HNAYVOBHSA-N 1 1 339.870 3.964 20 30 EHEDMO C[C@H]1C[C@@H](NCc2ccc(Cl)c(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC001171739752 1137511283 /nfs/dbraw/zinc/51/12/83/1137511283.db2.gz GEJHDRNJKWVBPX-HNAYVOBHSA-N 1 1 339.870 3.964 20 30 EHEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001171791378 1137512669 /nfs/dbraw/zinc/51/26/69/1137512669.db2.gz ITBBKJDJCASIKI-FHWLQOOXSA-N 1 1 342.389 3.572 20 30 EHEDMO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+](C)CCC#N)CC1 ZINC001172214593 1137541626 /nfs/dbraw/zinc/54/16/26/1137541626.db2.gz ZLRWDCNGEHVCIV-UHFFFAOYSA-N 1 1 334.847 3.539 20 30 EHEDMO COc1ccccc1O[C@H]1CC[N@H+]([C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172308035 1137545518 /nfs/dbraw/zinc/54/55/18/1137545518.db2.gz SQGMLEBGSUUIDO-APWZRJJASA-N 1 1 336.435 3.651 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001172319100 1137546914 /nfs/dbraw/zinc/54/69/14/1137546914.db2.gz KZXIUSIECAXFPK-AUSIDOKSSA-N 1 1 347.506 3.943 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001172319100 1137546915 /nfs/dbraw/zinc/54/69/15/1137546915.db2.gz KZXIUSIECAXFPK-AUSIDOKSSA-N 1 1 347.506 3.943 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(N)(c2ccc(F)cc2)CC1 ZINC001172300319 1137549309 /nfs/dbraw/zinc/54/93/09/1137549309.db2.gz VFOXHPGYVYQNEA-MRXNPFEDSA-N 1 1 337.442 3.578 20 30 EHEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@@H](C)CCO[C@@H](C)CC)CCO2 ZINC001172341700 1137552512 /nfs/dbraw/zinc/55/25/12/1137552512.db2.gz XEPKEROKYZIGEX-LWYYNNOASA-N 1 1 339.520 3.654 20 30 EHEDMO CCCCCCC[C@H](CC)[N@@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001172356168 1137554275 /nfs/dbraw/zinc/55/42/75/1137554275.db2.gz UUBJXAODXUXQCJ-OTWHNJEPSA-N 1 1 330.520 3.984 20 30 EHEDMO CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001172358131 1137554591 /nfs/dbraw/zinc/55/45/91/1137554591.db2.gz FTYAWXWVZQODTE-ABSDTBQOSA-N 1 1 330.472 3.995 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c[nH]c3c1cccc3F)C2 ZINC001137056403 1137571120 /nfs/dbraw/zinc/57/11/20/1137571120.db2.gz TYBDWGNMAIEDAY-JXFKEZNVSA-N 1 1 344.430 3.633 20 30 EHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(OC3CCCC3)nc2)no1 ZINC000872175347 1137575179 /nfs/dbraw/zinc/57/51/79/1137575179.db2.gz OVIFUVXYEAXKIX-ZDUSSCGKSA-N 1 1 334.807 3.595 20 30 EHEDMO C=C(C)COc1cc(C[NH2+][C@H](C)c2nccnc2C)ccc1OC ZINC000873189896 1137593210 /nfs/dbraw/zinc/59/32/10/1137593210.db2.gz SXHNNOXURGRWKY-OAHLLOKOSA-N 1 1 327.428 3.599 20 30 EHEDMO C#CCCCCCC[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000876648759 1137658219 /nfs/dbraw/zinc/65/82/19/1137658219.db2.gz FLPDENBAFKBSJU-UHFFFAOYSA-N 1 1 327.516 3.604 20 30 EHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876692170 1137659165 /nfs/dbraw/zinc/65/91/65/1137659165.db2.gz YUUQVAUGJTZWLF-UHFFFAOYSA-N 1 1 343.515 3.800 20 30 EHEDMO N#Cc1cnc(Cl)c(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)c1 ZINC000876885187 1137664511 /nfs/dbraw/zinc/66/45/11/1137664511.db2.gz MNUBTOGVAJDXGR-GOSISDBHSA-N 1 1 340.858 3.533 20 30 EHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877020105 1137667766 /nfs/dbraw/zinc/66/77/66/1137667766.db2.gz KXNVPPZHWOALKQ-KBXCAEBGSA-N 1 1 340.858 3.532 20 30 EHEDMO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877020105 1137667767 /nfs/dbraw/zinc/66/77/67/1137667767.db2.gz KXNVPPZHWOALKQ-KBXCAEBGSA-N 1 1 340.858 3.532 20 30 EHEDMO CC(C)(C)OC(=O)N1CCc2sc(C[NH2+]CC(C)(C)C#N)cc2C1 ZINC000877323758 1137674399 /nfs/dbraw/zinc/67/43/99/1137674399.db2.gz ZNQAUFXLWYFVTI-UHFFFAOYSA-N 1 1 349.500 3.681 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000877503918 1137678858 /nfs/dbraw/zinc/67/88/58/1137678858.db2.gz CVURPXICDTVISK-VQIMIIECSA-N 1 1 335.492 3.649 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000878013933 1137699640 /nfs/dbraw/zinc/69/96/40/1137699640.db2.gz GMMOGBPQPWXGGM-IFMALSPDSA-N 1 1 332.447 3.917 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCS[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000878177992 1137706016 /nfs/dbraw/zinc/70/60/16/1137706016.db2.gz HLPCZPYVABJDJX-XUVXKRRUSA-N 1 1 342.508 3.787 20 30 EHEDMO CCC[C@]1(COC)CCC[N@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878523177 1137718871 /nfs/dbraw/zinc/71/88/71/1137718871.db2.gz ZEWRZTQSQYQFHQ-RTWAWAEBSA-N 1 1 342.483 3.708 20 30 EHEDMO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C3(C#N)CC3)cc1)CCO2 ZINC000826065064 1137726595 /nfs/dbraw/zinc/72/65/95/1137726595.db2.gz TTXBLDRQNGJWFH-UHFFFAOYSA-N 1 1 334.419 3.645 20 30 EHEDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(C3(C#N)CC3)cc1)CCO2 ZINC000826065064 1137726596 /nfs/dbraw/zinc/72/65/96/1137726596.db2.gz TTXBLDRQNGJWFH-UHFFFAOYSA-N 1 1 334.419 3.645 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](OCCC(C)C)C1)c1ccccc1 ZINC000879012645 1137735272 /nfs/dbraw/zinc/73/52/72/1137735272.db2.gz AXSYEDANXMJJFU-NHCUHLMSSA-N 1 1 342.483 3.564 20 30 EHEDMO Cc1nc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)nc2ccccc12 ZINC000879025529 1137735665 /nfs/dbraw/zinc/73/56/65/1137735665.db2.gz BGYKMNLVEMUVDD-UHFFFAOYSA-N 1 1 343.434 3.585 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879434928 1137747769 /nfs/dbraw/zinc/74/77/69/1137747769.db2.gz QLPIEAVIDNADND-CQSZACIVSA-N 1 1 341.842 3.713 20 30 EHEDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000879845969 1137760635 /nfs/dbraw/zinc/76/06/35/1137760635.db2.gz NZAYQCNONUVNJI-KRWDZBQOSA-N 1 1 348.450 3.663 20 30 EHEDMO Cc1csc([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3OC(F)F)C2)n1 ZINC000880009103 1137764912 /nfs/dbraw/zinc/76/49/12/1137764912.db2.gz ZQMMOMBUGHCFLC-CQSZACIVSA-N 1 1 349.406 3.914 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880235540 1137771658 /nfs/dbraw/zinc/77/16/58/1137771658.db2.gz PBPRGLQUEDKHJC-CABCVRRESA-N 1 1 349.475 3.701 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000880235540 1137771659 /nfs/dbraw/zinc/77/16/59/1137771659.db2.gz PBPRGLQUEDKHJC-CABCVRRESA-N 1 1 349.475 3.701 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@H](CF)C1 ZINC000880297714 1137773991 /nfs/dbraw/zinc/77/39/91/1137773991.db2.gz PHGGBZSTNMGFMM-QWHCGFSZSA-N 1 1 349.475 3.507 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@H](CF)C1 ZINC000880297714 1137773992 /nfs/dbraw/zinc/77/39/92/1137773992.db2.gz PHGGBZSTNMGFMM-QWHCGFSZSA-N 1 1 349.475 3.507 20 30 EHEDMO C#CCC1(O)CC[NH+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000880482358 1137779801 /nfs/dbraw/zinc/77/98/01/1137779801.db2.gz GUCLWIKDKAQASB-UHFFFAOYSA-N 1 1 331.765 3.709 20 30 EHEDMO C=CCCC[C@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)c1ccccc1 ZINC000882235383 1137824024 /nfs/dbraw/zinc/82/40/24/1137824024.db2.gz NWZKMXLCGYOTPH-ICSRJNTNSA-N 1 1 337.467 3.968 20 30 EHEDMO CCc1nc([C@@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)cs1 ZINC000111407386 1137904561 /nfs/dbraw/zinc/90/45/61/1137904561.db2.gz HYLNWABMZALGCR-CQSZACIVSA-N 1 1 328.485 3.906 20 30 EHEDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)CC1(C#N)CCC1 ZINC000885940697 1138027052 /nfs/dbraw/zinc/02/70/52/1138027052.db2.gz PEMIIXQQSDWHIJ-HXUWFJFHSA-N 1 1 341.499 3.554 20 30 EHEDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886046252 1138034875 /nfs/dbraw/zinc/03/48/75/1138034875.db2.gz DJKARWBXKSSVLQ-KBPBESRZSA-N 1 1 329.469 3.734 20 30 EHEDMO N#CC1(C[C@H](O)C[N@@H+](CCC(F)(F)F)Cc2ccccc2)CCC1 ZINC000886168143 1138055198 /nfs/dbraw/zinc/05/51/98/1138055198.db2.gz KBVMUFCXYWVJGZ-INIZCTEOSA-N 1 1 340.389 3.886 20 30 EHEDMO C=C(C)COc1cc(C[NH2+]Cc2cc(C3CC3)no2)ccc1OC ZINC000886272492 1138063374 /nfs/dbraw/zinc/06/33/74/1138063374.db2.gz QXWLWKMAZXRQQF-UHFFFAOYSA-N 1 1 328.412 3.805 20 30 EHEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000073141677 1138111294 /nfs/dbraw/zinc/11/12/94/1138111294.db2.gz OIZCCVMTSBXYFH-UHFFFAOYSA-N 1 1 347.203 3.564 20 30 EHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000073141677 1138111295 /nfs/dbraw/zinc/11/12/95/1138111295.db2.gz OIZCCVMTSBXYFH-UHFFFAOYSA-N 1 1 347.203 3.564 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3ncccn3)C2)c(C(F)(F)F)c1 ZINC000886690570 1138116346 /nfs/dbraw/zinc/11/63/46/1138116346.db2.gz YBCXZXMUELHETM-OAHLLOKOSA-N 1 1 346.356 3.747 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ncccn3)C2)c(C(F)(F)F)c1 ZINC000886690570 1138116348 /nfs/dbraw/zinc/11/63/48/1138116348.db2.gz YBCXZXMUELHETM-OAHLLOKOSA-N 1 1 346.356 3.747 20 30 EHEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(C#N)c1 ZINC000075323566 1138126918 /nfs/dbraw/zinc/12/69/18/1138126918.db2.gz BODXTXUAETYFAE-HXUWFJFHSA-N 1 1 347.462 3.542 20 30 EHEDMO C=CCC1(O)CC[NH+]([C@H](C)c2nc(-c3ccccc3C)no2)CC1 ZINC000886766545 1138135986 /nfs/dbraw/zinc/13/59/86/1138135986.db2.gz LTQQRXQBADECRT-OAHLLOKOSA-N 1 1 327.428 3.509 20 30 EHEDMO C=CCC1(O)CC[NH+]([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)CC1 ZINC000886767062 1138136403 /nfs/dbraw/zinc/13/64/03/1138136403.db2.gz YTYIUKVSUZZFCC-INIZCTEOSA-N 1 1 341.455 3.817 20 30 EHEDMO C=CCCCN(C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000077437887 1138139333 /nfs/dbraw/zinc/13/93/33/1138139333.db2.gz XYKFNDHMDIWKSR-UHFFFAOYSA-N 1 1 333.501 3.665 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+](C)CCc2nccs2)ccc1OC ZINC000093844140 1138242022 /nfs/dbraw/zinc/24/20/22/1138242022.db2.gz ODFCFRRMUSGKTF-UHFFFAOYSA-N 1 1 332.469 3.781 20 30 EHEDMO C#CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000093889502 1138242643 /nfs/dbraw/zinc/24/26/43/1138242643.db2.gz IZBQYGHJRKWKHE-FYSMJZIKSA-N 1 1 341.476 3.629 20 30 EHEDMO N#CC1(CCC[N@H+](Cc2ccccc2)C[C@H]2CCCO2)CCOCC1 ZINC000337136497 1138475794 /nfs/dbraw/zinc/47/57/94/1138475794.db2.gz NEDPJLGSHYVLKO-HXUWFJFHSA-N 1 1 342.483 3.768 20 30 EHEDMO N#CC1(CCC[N@@H+](Cc2ccco2)Cc2cccnc2)CCOCC1 ZINC000337168927 1138484561 /nfs/dbraw/zinc/48/45/61/1138484561.db2.gz BXGIENPDFWODRB-UHFFFAOYSA-N 1 1 339.439 3.777 20 30 EHEDMO Cc1cc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)ccc1C#N ZINC000337357874 1138543422 /nfs/dbraw/zinc/54/34/22/1138543422.db2.gz BKPJDJWIYVATJH-IBGZPJMESA-N 1 1 334.467 3.779 20 30 EHEDMO Cc1ccccc1[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000337704390 1138647795 /nfs/dbraw/zinc/64/77/95/1138647795.db2.gz ZBAFOCQSMROKBU-SFHVURJKSA-N 1 1 333.435 3.685 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000337799697 1138671465 /nfs/dbraw/zinc/67/14/65/1138671465.db2.gz GDFZGUZCDCJFAV-OXJNMPFZSA-N 1 1 347.462 3.650 20 30 EHEDMO CCN(CC)C(=O)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000265247847 1138781575 /nfs/dbraw/zinc/78/15/75/1138781575.db2.gz NOKRMEMWLUVBDY-OXQOHEQNSA-N 1 1 335.451 3.819 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000338361673 1138857437 /nfs/dbraw/zinc/85/74/37/1138857437.db2.gz RVGHSXKARHINGU-LSDHHAIUSA-N 1 1 344.421 3.630 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000265544650 1138955507 /nfs/dbraw/zinc/95/55/07/1138955507.db2.gz RWWZVKQBMFTJTM-OAHLLOKOSA-N 1 1 332.407 3.583 20 30 EHEDMO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000889294214 1139190862 /nfs/dbraw/zinc/19/08/62/1139190862.db2.gz WXVMPHBDRYBDEX-LJQANCHMSA-N 1 1 326.484 3.713 20 30 EHEDMO COC(=O)CC[N@@H+](CCCC(C)(C)C#N)Cc1ccc(F)c(F)c1 ZINC000174856881 1139446047 /nfs/dbraw/zinc/44/60/47/1139446047.db2.gz NXWXTGPYJARFHB-UHFFFAOYSA-N 1 1 338.398 3.660 20 30 EHEDMO COc1ccc(C[NH2+][C@@H](C)c2ncc(C)s2)cc1OCCCC#N ZINC000175858808 1139523417 /nfs/dbraw/zinc/52/34/17/1139523417.db2.gz WJJHYNQXMBMEOZ-AWEZNQCLSA-N 1 1 345.468 3.994 20 30 EHEDMO CC[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cc(F)ccc1F ZINC000179791578 1139784050 /nfs/dbraw/zinc/78/40/50/1139784050.db2.gz YBUFNQSYKQRYCS-AWEZNQCLSA-N 1 1 335.379 3.577 20 30 EHEDMO C[N@@H+](Cc1ccccc1NC(=O)c1c[nH]c(C#N)c1)C1CCCCC1 ZINC000180215340 1139818353 /nfs/dbraw/zinc/81/83/53/1139818353.db2.gz MXBYPIDQONYJTM-UHFFFAOYSA-N 1 1 336.439 3.903 20 30 EHEDMO CC[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(OC)cc1 ZINC000181809911 1139932934 /nfs/dbraw/zinc/93/29/34/1139932934.db2.gz WPTLZUHQDWWETB-GOSISDBHSA-N 1 1 348.406 3.858 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185854661 1140173806 /nfs/dbraw/zinc/17/38/06/1140173806.db2.gz PVHGEPLDNOCXLW-IZBJGVDFSA-N 1 1 325.500 3.815 20 30 EHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000187300301 1140249258 /nfs/dbraw/zinc/24/92/58/1140249258.db2.gz VDZUTSWYKOXGHT-AWEZNQCLSA-N 1 1 341.846 3.518 20 30 EHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000187300301 1140249266 /nfs/dbraw/zinc/24/92/66/1140249266.db2.gz VDZUTSWYKOXGHT-AWEZNQCLSA-N 1 1 341.846 3.518 20 30 EHEDMO CCN(C[C@H]1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1)CC(F)(F)F ZINC000187707734 1140268773 /nfs/dbraw/zinc/26/87/73/1140268773.db2.gz JJKPWCSJDQEWIB-GOEBONIOSA-N 1 1 339.405 3.825 20 30 EHEDMO C=C(C)C[NH+]1CCC(N[C@@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191511832 1140469375 /nfs/dbraw/zinc/46/93/75/1140469375.db2.gz YYAQLTHEHNHDRN-GOSISDBHSA-N 1 1 332.513 3.862 20 30 EHEDMO C=CCOc1ccc(C[NH2+][C@H](COC)c2ccc(CC)o2)cc1OC ZINC000266185838 1140652999 /nfs/dbraw/zinc/65/29/99/1140652999.db2.gz WQSAAXLLUVEOBS-QGZVFWFLSA-N 1 1 345.439 3.893 20 30 EHEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000266887190 1140733767 /nfs/dbraw/zinc/73/37/67/1140733767.db2.gz BQPOFSRLZYQROG-FQEVSTJZSA-N 1 1 335.451 3.690 20 30 EHEDMO C=CCC(CC=C)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000268196602 1140901016 /nfs/dbraw/zinc/90/10/16/1140901016.db2.gz NNFXMGNJRQKEEX-UHFFFAOYSA-N 1 1 338.495 3.804 20 30 EHEDMO 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C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000514183735 1024189938 /nfs/dbraw/zinc/18/99/38/1024189938.db2.gz XJAWHXHMESZSJA-RHSMWYFYSA-N 1 1 336.395 3.714 20 30 EHEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000329812512 1024206423 /nfs/dbraw/zinc/20/64/23/1024206423.db2.gz SBUSXSJXMADIRF-BDJLRTHQSA-N 1 1 344.846 3.517 20 30 EHEDMO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+](C)C[C@@H]1CCCCO1 ZINC000329822997 1024211472 /nfs/dbraw/zinc/21/14/72/1024211472.db2.gz HHNSHMKYEYIHNA-OLZOCXBDSA-N 1 1 333.457 3.774 20 30 EHEDMO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000329822997 1024211483 /nfs/dbraw/zinc/21/14/83/1024211483.db2.gz HHNSHMKYEYIHNA-OLZOCXBDSA-N 1 1 333.457 3.774 20 30 EHEDMO Cn1c2cc(F)ccc2nc1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000329861375 1024225879 /nfs/dbraw/zinc/22/58/79/1024225879.db2.gz QEFKALAJGDXNAM-OAHLLOKOSA-N 1 1 330.407 3.707 20 30 EHEDMO CN(CCC#N)c1ccc(C[NH2+]Cc2cc(-c3ccccc3)on2)cc1 ZINC000237206027 1024230736 /nfs/dbraw/zinc/23/07/36/1024230736.db2.gz SFRLAANXMXEPSV-UHFFFAOYSA-N 1 1 346.434 3.981 20 30 EHEDMO CC[C@H](CNC(=O)[C@H]1CCCCC(=O)N1)[N@H+]1CCc2ccccc2C1 ZINC000329886606 1024238041 /nfs/dbraw/zinc/23/80/41/1024238041.db2.gz WIKIQGCOGSJQCT-QZTJIDSGSA-N 1 1 343.471 3.679 20 30 EHEDMO C[C@H](c1ccccc1Cl)N(C)C([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329940564 1024258253 /nfs/dbraw/zinc/25/82/53/1024258253.db2.gz GFYWTGPLWNFVOJ-KGLIPLIRSA-N 1 1 346.862 3.706 20 30 EHEDMO C[C@H](c1ccccc1Cl)N(C)C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329940564 1024258262 /nfs/dbraw/zinc/25/82/62/1024258262.db2.gz GFYWTGPLWNFVOJ-KGLIPLIRSA-N 1 1 346.862 3.706 20 30 EHEDMO Cc1cc(CNc2ccc(Cl)c(C[N@@H+](C)CCO)c2)ccc1C#N ZINC000342159191 1024258854 /nfs/dbraw/zinc/25/88/54/1024258854.db2.gz GOTZFPNZTRJDQU-UHFFFAOYSA-N 1 1 343.858 3.556 20 30 EHEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCC1=CCCCCC1 ZINC000330006116 1024284165 /nfs/dbraw/zinc/28/41/65/1024284165.db2.gz DUQVMPGXOPFOJZ-UHFFFAOYSA-N 1 1 341.459 3.808 20 30 EHEDMO Cc1nc(CC2CC2)oc1C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000330019170 1024289893 /nfs/dbraw/zinc/28/98/93/1024289893.db2.gz UQOWOXZFLPCVGW-HZSPNIEDSA-N 1 1 333.476 3.607 20 30 EHEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCC[C@H](C(C)C)C1 ZINC000330035930 1024295548 /nfs/dbraw/zinc/29/55/48/1024295548.db2.gz XUHQSDFUUYRGOJ-JKSUJKDBSA-N 1 1 343.475 3.742 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000425135337 1024298126 /nfs/dbraw/zinc/29/81/26/1024298126.db2.gz VRYHFVWQOMYUMA-SJORKVTESA-N 1 1 347.462 3.524 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000425135337 1024298132 /nfs/dbraw/zinc/29/81/32/1024298132.db2.gz VRYHFVWQOMYUMA-SJORKVTESA-N 1 1 347.462 3.524 20 30 EHEDMO CCN(CCO)c1ccc(C=[NH+]Nc2cccc3cnccc32)c(C)c1 ZINC000728432015 1024315695 /nfs/dbraw/zinc/31/56/95/1024315695.db2.gz LFZXZKMLZNDPOV-UHFFFAOYSA-N 1 1 348.450 3.808 20 30 EHEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2NC(C)=O)C1 ZINC000895101268 1024387214 /nfs/dbraw/zinc/38/72/14/1024387214.db2.gz HTJHBRYJKWSFOP-CQSZACIVSA-N 1 1 349.272 3.643 20 30 EHEDMO CCCn1ccnc1CCC[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000191515261 1024388160 /nfs/dbraw/zinc/38/81/60/1024388160.db2.gz NRQBMBCISOOXQC-UHFFFAOYSA-N 1 1 329.875 3.863 20 30 EHEDMO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026330430 1033209143 /nfs/dbraw/zinc/20/91/43/1033209143.db2.gz IDKBHCHATWBFTC-CQSZACIVSA-N 1 1 341.842 3.979 20 30 EHEDMO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026330430 1033209158 /nfs/dbraw/zinc/20/91/58/1033209158.db2.gz IDKBHCHATWBFTC-CQSZACIVSA-N 1 1 341.842 3.979 20 30 EHEDMO Cc1cc(C)c(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c(=O)[nH]1 ZINC000330294356 1024441914 /nfs/dbraw/zinc/44/19/14/1024441914.db2.gz IMRHABNQJNJUNP-QGZVFWFLSA-N 1 1 331.460 3.658 20 30 EHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000434890818 1024475031 /nfs/dbraw/zinc/47/50/31/1024475031.db2.gz BHLIEDOEZXDOPC-YSSFQJQWSA-N 1 1 334.419 3.650 20 30 EHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000434890818 1024475038 /nfs/dbraw/zinc/47/50/38/1024475038.db2.gz BHLIEDOEZXDOPC-YSSFQJQWSA-N 1 1 334.419 3.650 20 30 EHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000434890816 1024475472 /nfs/dbraw/zinc/47/54/72/1024475472.db2.gz BHLIEDOEZXDOPC-XPGWFJOJSA-N 1 1 334.419 3.650 20 30 EHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000434890816 1024475476 /nfs/dbraw/zinc/47/54/76/1024475476.db2.gz BHLIEDOEZXDOPC-XPGWFJOJSA-N 1 1 334.419 3.650 20 30 EHEDMO C#CCC(C)(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000185140312 1024561873 /nfs/dbraw/zinc/56/18/73/1024561873.db2.gz HYDSVUCOXAIODN-QGZVFWFLSA-N 1 1 326.484 3.727 20 30 EHEDMO CC(C)(C#N)CCC[NH+]1CCC(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000602877345 1033230128 /nfs/dbraw/zinc/23/01/28/1033230128.db2.gz GWPQEHNUQZPZMV-UHFFFAOYSA-N 1 1 337.471 3.981 20 30 EHEDMO CCN(C(=O)CCCCC#N)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000594243624 1033241383 /nfs/dbraw/zinc/24/13/83/1033241383.db2.gz AMXOGDWBTFQXDD-PKOBYXMFSA-N 1 1 327.472 3.754 20 30 EHEDMO CCN(C(=O)CCCCC#N)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000594243623 1033241630 /nfs/dbraw/zinc/24/16/30/1033241630.db2.gz AMXOGDWBTFQXDD-MJGOQNOKSA-N 1 1 327.472 3.754 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@H](C2CC2)C1 ZINC000344085577 1024887827 /nfs/dbraw/zinc/88/78/27/1024887827.db2.gz HMMAZRVDOCNWPD-WBVHZDCISA-N 1 1 343.446 3.583 20 30 EHEDMO CC[C@H](CC#N)[NH2+]CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000514947996 1024924062 /nfs/dbraw/zinc/92/40/62/1024924062.db2.gz QOOTVCGWTXFOKP-GOSISDBHSA-N 1 1 345.462 3.769 20 30 EHEDMO C[N@H+](CCCSCC#N)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000602894715 1033246007 /nfs/dbraw/zinc/24/60/07/1033246007.db2.gz XSHZMENJMVUSQQ-UHFFFAOYSA-N 1 1 342.390 3.660 20 30 EHEDMO C[N@@H+](CCCSCC#N)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000602894715 1033246022 /nfs/dbraw/zinc/24/60/22/1033246022.db2.gz XSHZMENJMVUSQQ-UHFFFAOYSA-N 1 1 342.390 3.660 20 30 EHEDMO CC(C)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1F ZINC000346605786 1024944608 /nfs/dbraw/zinc/94/46/08/1024944608.db2.gz JKVZMKURCFOAEX-UHFFFAOYSA-N 1 1 339.414 3.937 20 30 EHEDMO N#Cc1ccccc1NC1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000602897295 1033248918 /nfs/dbraw/zinc/24/89/18/1033248918.db2.gz WCAIALNYZMZWOY-UHFFFAOYSA-N 1 1 326.831 3.683 20 30 EHEDMO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000895940120 1024996697 /nfs/dbraw/zinc/99/66/97/1024996697.db2.gz IIHPASUTAWZWEF-IBGZPJMESA-N 1 1 326.484 3.761 20 30 EHEDMO Cc1cc(Br)c(N2CCC(c3[nH]cc[nH+]3)CC2)c(C#N)c1 ZINC000892150539 1025026507 /nfs/dbraw/zinc/02/65/07/1025026507.db2.gz GTMYHRDGWUMKDW-UHFFFAOYSA-N 1 1 345.244 3.736 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@@H+](CC2CCCCC2)C2CC2)c1 ZINC000438841088 1025063218 /nfs/dbraw/zinc/06/32/18/1025063218.db2.gz ONRMGVQDFWZGQH-UHFFFAOYSA-N 1 1 325.456 3.932 20 30 EHEDMO C=CCC(F)(F)C(=O)N1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001270000493 1025070747 /nfs/dbraw/zinc/07/07/47/1025070747.db2.gz DQKAYEYMNGJYDF-GOSISDBHSA-N 1 1 340.458 3.845 20 30 EHEDMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000185452322 1025100101 /nfs/dbraw/zinc/10/01/01/1025100101.db2.gz GULSMGZPSHYZSQ-AWEZNQCLSA-N 1 1 329.444 3.638 20 30 EHEDMO C=C(C(=O)N1CC2(C1)CC[N@H+](C[C@@H](CC)CCCC)C2)C(F)(F)F ZINC001270008487 1025126753 /nfs/dbraw/zinc/12/67/53/1025126753.db2.gz VFHWZXZNJZXNSZ-HNNXBMFYSA-N 1 1 346.437 3.856 20 30 EHEDMO C=C(C)COc1cc(CN[C@@H](C)C[N@H+]2CCC[C@H](C)C2)ccc1OC ZINC000520944865 1025129012 /nfs/dbraw/zinc/12/90/12/1025129012.db2.gz OLKAPGWVELSVHU-ROUUACIJSA-N 1 1 346.515 3.860 20 30 EHEDMO C=C(C)COc1cc(C[NH2+][C@@H](C)CN2CCC[C@H](C)C2)ccc1OC ZINC000520944865 1025129020 /nfs/dbraw/zinc/12/90/20/1025129020.db2.gz OLKAPGWVELSVHU-ROUUACIJSA-N 1 1 346.515 3.860 20 30 EHEDMO COc1cc(C[NH2+]Cc2cc(Br)ccc2F)ccc1C#N ZINC000234925084 1025143424 /nfs/dbraw/zinc/14/34/24/1025143424.db2.gz YRDKPJHHUGRCDZ-UHFFFAOYSA-N 1 1 349.203 3.758 20 30 EHEDMO COc1ccc(C2([NH2+]Cc3ccccc3C#N)CCOCC2)cc1F ZINC000444009848 1025181819 /nfs/dbraw/zinc/18/18/19/1025181819.db2.gz MVOGOKNHRFDTIM-UHFFFAOYSA-N 1 1 340.398 3.501 20 30 EHEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000521187262 1025260297 /nfs/dbraw/zinc/26/02/97/1025260297.db2.gz GNKZYOOGXHSMEA-AWEZNQCLSA-N 1 1 340.389 3.899 20 30 EHEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000521187262 1025260309 /nfs/dbraw/zinc/26/03/09/1025260309.db2.gz GNKZYOOGXHSMEA-AWEZNQCLSA-N 1 1 340.389 3.899 20 30 EHEDMO C[C@H]1CSCCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000934303039 1025354768 /nfs/dbraw/zinc/35/47/68/1025354768.db2.gz KELWPAIZBALTCQ-HNNXBMFYSA-N 1 1 341.480 3.565 20 30 EHEDMO C[C@H]1CSCCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000934303039 1025354781 /nfs/dbraw/zinc/35/47/81/1025354781.db2.gz KELWPAIZBALTCQ-HNNXBMFYSA-N 1 1 341.480 3.565 20 30 EHEDMO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000347002827 1025397981 /nfs/dbraw/zinc/39/79/81/1025397981.db2.gz DLAZQRGPAGIWNX-HIFRSBDPSA-N 1 1 349.272 3.569 20 30 EHEDMO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000347002827 1025397997 /nfs/dbraw/zinc/39/79/97/1025397997.db2.gz DLAZQRGPAGIWNX-HIFRSBDPSA-N 1 1 349.272 3.569 20 30 EHEDMO CC[N@@H+](CCC1CCN(C(=O)c2cc(C#N)oc2C)CC1)CC(C)C ZINC000436143754 1025415544 /nfs/dbraw/zinc/41/55/44/1025415544.db2.gz KZYZTWIIYDGPFE-UHFFFAOYSA-N 1 1 345.487 3.680 20 30 EHEDMO COCCCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(OC)c1 ZINC000442805939 1025482727 /nfs/dbraw/zinc/48/27/27/1025482727.db2.gz AZIFZEPQRRFPEG-UHFFFAOYSA-N 1 1 338.451 3.996 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)c1 ZINC000896529221 1025515874 /nfs/dbraw/zinc/51/58/74/1025515874.db2.gz ZRYYRAFBINUNQF-LBPRGKRZSA-N 1 1 332.860 3.518 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)c1 ZINC000896529221 1025515886 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/nfs/dbraw/zinc/93/92/91/1033939291.db2.gz RPUMJQKKOJYZPX-KBPBESRZSA-N 1 1 343.496 3.724 20 30 EHEDMO Cc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)n2c3ccccc3nc2c1C#N ZINC000603851667 1033974281 /nfs/dbraw/zinc/97/42/81/1033974281.db2.gz VPBOFXODBMXMTJ-HNNXBMFYSA-N 1 1 345.450 3.564 20 30 EHEDMO C[C@]1(C#N)CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000595841604 1034004307 /nfs/dbraw/zinc/00/43/07/1034004307.db2.gz WCJPYXJADUDJMH-OAHLLOKOSA-N 1 1 326.227 3.558 20 30 EHEDMO C[C@]1(C#N)CC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000595841604 1034004323 /nfs/dbraw/zinc/00/43/23/1034004323.db2.gz WCJPYXJADUDJMH-OAHLLOKOSA-N 1 1 326.227 3.558 20 30 EHEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593124925 1034007123 /nfs/dbraw/zinc/00/71/23/1034007123.db2.gz LONKNMDSFSMWHB-BVSLBCMMSA-N 1 1 348.446 3.932 20 30 EHEDMO N#CCSCCC[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000595845844 1034007377 /nfs/dbraw/zinc/00/73/77/1034007377.db2.gz SBAHDGNUFOERTK-AWEZNQCLSA-N 1 1 325.275 3.843 20 30 EHEDMO N#CCSCCC[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000595845844 1034007391 /nfs/dbraw/zinc/00/73/91/1034007391.db2.gz SBAHDGNUFOERTK-AWEZNQCLSA-N 1 1 325.275 3.843 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCC(F)(F)CC1 ZINC000599551775 1034007524 /nfs/dbraw/zinc/00/75/24/1034007524.db2.gz BCXWXHUVCKCEPR-NSHDSACASA-N 1 1 341.789 3.660 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCCC(F)(F)CC1 ZINC000599551775 1034007541 /nfs/dbraw/zinc/00/75/41/1034007541.db2.gz BCXWXHUVCKCEPR-NSHDSACASA-N 1 1 341.789 3.660 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(c3ccon3)CC2)c(C(F)(F)F)c1 ZINC000595829665 1034016833 /nfs/dbraw/zinc/01/68/33/1034016833.db2.gz YLXUZZQKRWGSEH-UHFFFAOYSA-N 1 1 335.329 3.945 20 30 EHEDMO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@@H]1CCc2ccccc21 ZINC000595882039 1034019014 /nfs/dbraw/zinc/01/90/14/1034019014.db2.gz YHQRJRCTLFWIEN-SFHVURJKSA-N 1 1 344.418 3.770 20 30 EHEDMO COC(=O)c1cccc(C[NH2+][C@@]2(c3ccccc3)CC2(C)C)c1C#N ZINC000595909499 1034026824 /nfs/dbraw/zinc/02/68/24/1034026824.db2.gz PCURMZMNTOQLJG-OAQYLSRUSA-N 1 1 334.419 3.760 20 30 EHEDMO CCc1ccc(C2CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000599668540 1034077318 /nfs/dbraw/zinc/07/73/18/1034077318.db2.gz GYMLWXVNTHKRLL-NRFANRHFSA-N 1 1 347.462 3.527 20 30 EHEDMO C=CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000534055743 1034080453 /nfs/dbraw/zinc/08/04/53/1034080453.db2.gz SBWZROYWPFBUAO-QZTJIDSGSA-N 1 1 347.890 3.693 20 30 EHEDMO C=CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000534055743 1034080436 /nfs/dbraw/zinc/08/04/36/1034080436.db2.gz SBWZROYWPFBUAO-QZTJIDSGSA-N 1 1 347.890 3.693 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3CCCC[C@@]32C)c1C ZINC000599674440 1034084667 /nfs/dbraw/zinc/08/46/67/1034084667.db2.gz HJZYBZXMABHCHD-RXVVDRJESA-N 1 1 339.483 3.815 20 30 EHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)cc1F ZINC000599679246 1034107595 /nfs/dbraw/zinc/10/75/95/1034107595.db2.gz LRDNZZOAAVCCDX-HNNXBMFYSA-N 1 1 328.362 3.835 20 30 EHEDMO C=CC[N@@H+](C[C@H]1CCC(F)(F)C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000450394184 1034233291 /nfs/dbraw/zinc/23/32/91/1034233291.db2.gz POEIWHOTANTPIN-CABCVRRESA-N 1 1 347.413 3.647 20 30 EHEDMO CCN(C(=O)N[C@@H](CCCC#N)c1ccccc1)[C@@H]1CC[N@@H+](CC)C1 ZINC000596605362 1034315710 /nfs/dbraw/zinc/31/57/10/1034315710.db2.gz AYYHZPUAKWYBLL-MOPGFXCFSA-N 1 1 342.487 3.547 20 30 EHEDMO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596981427 1034479144 /nfs/dbraw/zinc/47/91/44/1034479144.db2.gz OQUAWZUCMLWGOS-UHFFFAOYSA-N 1 1 348.446 3.807 20 30 EHEDMO C[N@H+]1CCN(Cc2ccc(C3(C#N)CC3)cc2)[C@@H](c2ccccc2)C1 ZINC000596986558 1034484800 /nfs/dbraw/zinc/48/48/00/1034484800.db2.gz WEEXDMZZAPCATB-OAQYLSRUSA-N 1 1 331.463 3.730 20 30 EHEDMO CN1CC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@@H](c2ccccc2)C1 ZINC000596986558 1034484808 /nfs/dbraw/zinc/48/48/08/1034484808.db2.gz WEEXDMZZAPCATB-OAQYLSRUSA-N 1 1 331.463 3.730 20 30 EHEDMO CN1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@@H](c2ccccc2)C1 ZINC000596986558 1034484819 /nfs/dbraw/zinc/48/48/19/1034484819.db2.gz WEEXDMZZAPCATB-OAQYLSRUSA-N 1 1 331.463 3.730 20 30 EHEDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597028380 1034505368 /nfs/dbraw/zinc/50/53/68/1034505368.db2.gz JJUDQANQVANQJW-QGZVFWFLSA-N 1 1 340.467 3.797 20 30 EHEDMO C=CC[C@H](C)NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000604881114 1034544035 /nfs/dbraw/zinc/54/40/35/1034544035.db2.gz VDTBLFRXLLFJFJ-IRXDYDNUSA-N 1 1 330.472 3.634 20 30 EHEDMO CC(=O)c1ccc2c(c1)CC[N@@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC000534473986 1034599558 /nfs/dbraw/zinc/59/95/58/1034599558.db2.gz FGOKVRVTZBOKNJ-UHFFFAOYSA-N 1 1 337.850 3.995 20 30 EHEDMO CC(=O)c1ccc2c(c1)CC[N@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC000534473986 1034599568 /nfs/dbraw/zinc/59/95/68/1034599568.db2.gz FGOKVRVTZBOKNJ-UHFFFAOYSA-N 1 1 337.850 3.995 20 30 EHEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000597229551 1034611680 /nfs/dbraw/zinc/61/16/80/1034611680.db2.gz MEPMMBRWGMDANR-MRXNPFEDSA-N 1 1 334.345 3.627 20 30 EHEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000597229551 1034611688 /nfs/dbraw/zinc/61/16/88/1034611688.db2.gz MEPMMBRWGMDANR-MRXNPFEDSA-N 1 1 334.345 3.627 20 30 EHEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@@H]4COC[C@@H]4C3)c2)c1 ZINC000597231082 1034612720 /nfs/dbraw/zinc/61/27/20/1034612720.db2.gz NFEGOMUMSLVMEN-RTWAWAEBSA-N 1 1 348.446 3.606 20 30 EHEDMO C[C@H](CC#N)C(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000597358157 1034709354 /nfs/dbraw/zinc/70/93/54/1034709354.db2.gz ZGTNQVTXWRSWHP-LJQANCHMSA-N 1 1 349.478 3.697 20 30 EHEDMO C#CC[N@@H+](Cc1nnc(-c2ccc(OC)cc2)o1)C1CCCCC1 ZINC000062364687 1034849453 /nfs/dbraw/zinc/84/94/53/1034849453.db2.gz CTCRUEMBJCODDF-UHFFFAOYSA-N 1 1 325.412 3.513 20 30 EHEDMO C#CC[N@H+](Cc1nnc(-c2ccc(OC)cc2)o1)C1CCCCC1 ZINC000062364687 1034849468 /nfs/dbraw/zinc/84/94/68/1034849468.db2.gz CTCRUEMBJCODDF-UHFFFAOYSA-N 1 1 325.412 3.513 20 30 EHEDMO N#CC1(CC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCCCC1 ZINC000597611438 1034853606 /nfs/dbraw/zinc/85/36/06/1034853606.db2.gz SINKEJMVTRFAMU-SFHVURJKSA-N 1 1 331.504 3.764 20 30 EHEDMO C=CCOCC[NH2+][C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000612416754 1034905959 /nfs/dbraw/zinc/90/59/59/1034905959.db2.gz DFARAVAAXWBNGM-GOSISDBHSA-N 1 1 330.384 3.632 20 30 EHEDMO COc1ccc(C(=O)C2CC[NH+](Cc3ccc(C#N)s3)CC2)cc1 ZINC000179881566 1034933041 /nfs/dbraw/zinc/93/30/41/1034933041.db2.gz RITIHFVJDXURSY-UHFFFAOYSA-N 1 1 340.448 3.723 20 30 EHEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(C#N)cc3Br)c2C[C@H]1C ZINC000450998101 1035002424 /nfs/dbraw/zinc/00/24/24/1035002424.db2.gz JTYLNWGAHUIALT-VXGBXAGGSA-N 1 1 344.256 3.936 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)NC1(c2ccccc2)CCC1 ZINC000065959417 1035029919 /nfs/dbraw/zinc/02/99/19/1035029919.db2.gz OMKZJVQCMTXVDE-UHFFFAOYSA-N 1 1 348.490 3.913 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)NC1(c2ccccc2)CCC1 ZINC000065959417 1035029927 /nfs/dbraw/zinc/02/99/27/1035029927.db2.gz OMKZJVQCMTXVDE-UHFFFAOYSA-N 1 1 348.490 3.913 20 30 EHEDMO N#Cc1ccc(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)s1 ZINC000180000705 1035148271 /nfs/dbraw/zinc/14/82/71/1035148271.db2.gz WSBXGXDVVBTBCN-LJQANCHMSA-N 1 1 326.465 3.882 20 30 EHEDMO C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000580259427 1035424780 /nfs/dbraw/zinc/42/47/80/1035424780.db2.gz HRWUWAUGMCOPLH-ZDUSSCGKSA-N 1 1 335.373 3.979 20 30 EHEDMO C[N@@H+](CCOc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463444694 1035511344 /nfs/dbraw/zinc/51/13/44/1035511344.db2.gz AQABGUSJGBVVNJ-CVEARBPZSA-N 1 1 326.362 3.990 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2sccc2Cl)CC1 ZINC000581647498 1035523466 /nfs/dbraw/zinc/52/34/66/1035523466.db2.gz CMYLILKWNGUHGV-UHFFFAOYSA-N 1 1 331.872 3.985 20 30 EHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CCSc1ccccc1 ZINC000581967059 1035662006 /nfs/dbraw/zinc/66/20/06/1035662006.db2.gz CKOHGOGMXQZZCG-UHFFFAOYSA-N 1 1 326.465 3.799 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCCc3occc3C2)cc1Cl ZINC000582352767 1035729191 /nfs/dbraw/zinc/72/91/91/1035729191.db2.gz XDPWYWHHUKGMCB-UHFFFAOYSA-N 1 1 343.814 3.582 20 30 EHEDMO C[C@H](O)[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1F ZINC000571929925 1035866966 /nfs/dbraw/zinc/86/69/66/1035866966.db2.gz MCTJYAQWDQWOOU-YWZLYKJASA-N 1 1 342.414 3.720 20 30 EHEDMO Cn1c(C[NH+]2CCC(CC#N)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000540994510 1035869506 /nfs/dbraw/zinc/86/95/06/1035869506.db2.gz WRUVMZPFPXZTNR-UHFFFAOYSA-N 1 1 336.361 3.718 20 30 EHEDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CCCCCC#N)CC1 ZINC000588283403 1035880872 /nfs/dbraw/zinc/88/08/72/1035880872.db2.gz PNOXHTUTRVTKSP-UHFFFAOYSA-N 1 1 327.472 3.503 20 30 EHEDMO C[C@H]1CN(c2nc(Cl)c(C#N)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000324075610 1035913010 /nfs/dbraw/zinc/91/30/10/1035913010.db2.gz YPBWHJLYAGEWNA-CYBMUJFWSA-N 1 1 346.887 3.626 20 30 EHEDMO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(CC#N)CC1 ZINC000541019242 1035920101 /nfs/dbraw/zinc/92/01/01/1035920101.db2.gz DCGXWUUARIFXMJ-OAHLLOKOSA-N 1 1 339.439 3.578 20 30 EHEDMO C=CCC1(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)CCC1 ZINC000188489469 1035945052 /nfs/dbraw/zinc/94/50/52/1035945052.db2.gz UUMQKXJSRMYEPY-GOSISDBHSA-N 1 1 326.484 3.856 20 30 EHEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)N1CCCCCC1)c1ccc(F)c(F)c1 ZINC000187791897 1035997231 /nfs/dbraw/zinc/99/72/31/1035997231.db2.gz NGEKFLKEUPGPCL-RDTXWAMCSA-N 1 1 336.426 3.963 20 30 EHEDMO C=CCCn1cc(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)nn1 ZINC000653505253 1036034778 /nfs/dbraw/zinc/03/47/78/1036034778.db2.gz DZZQXISZBPXJJD-QGZVFWFLSA-N 1 1 330.863 3.715 20 30 EHEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)nn1 ZINC000653505253 1036034800 /nfs/dbraw/zinc/03/48/00/1036034800.db2.gz DZZQXISZBPXJJD-QGZVFWFLSA-N 1 1 330.863 3.715 20 30 EHEDMO C#C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(Cl)cc1 ZINC000491308144 1036037077 /nfs/dbraw/zinc/03/70/77/1036037077.db2.gz SZPYMGPQCZSPCE-SFHVURJKSA-N 1 1 325.843 3.799 20 30 EHEDMO C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000189265412 1036048834 /nfs/dbraw/zinc/04/88/34/1036048834.db2.gz SDOVOVRNOUBKPY-YWZLYKJASA-N 1 1 341.455 3.587 20 30 EHEDMO Cc1nc2c(cccc2C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)o1 ZINC000329968965 1036056510 /nfs/dbraw/zinc/05/65/10/1036056510.db2.gz WZRITQYFPGKGBM-CYBMUJFWSA-N 1 1 329.444 3.951 20 30 EHEDMO C[C@@H](O)C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1 ZINC000572313475 1036060883 /nfs/dbraw/zinc/06/08/83/1036060883.db2.gz KYEQCSIGARCLJT-MRXNPFEDSA-N 1 1 347.380 3.940 20 30 EHEDMO COC(=O)c1cccc(C[N@H+](Cc2ccc(F)cc2)C(C)C)c1C#N ZINC000535196290 1036179493 /nfs/dbraw/zinc/17/94/93/1036179493.db2.gz MWPXITRTYNKVHK-UHFFFAOYSA-N 1 1 340.398 3.895 20 30 EHEDMO COC(=O)c1cccc(C[N@@H+](Cc2ccc(F)cc2)C(C)C)c1C#N ZINC000535196290 1036179509 /nfs/dbraw/zinc/17/95/09/1036179509.db2.gz MWPXITRTYNKVHK-UHFFFAOYSA-N 1 1 340.398 3.895 20 30 EHEDMO C=CC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190799462 1036293634 /nfs/dbraw/zinc/29/36/34/1036293634.db2.gz BDTVZIBDTWPKNY-ZDUSSCGKSA-N 1 1 334.217 3.822 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190799462 1036293650 /nfs/dbraw/zinc/29/36/50/1036293650.db2.gz BDTVZIBDTWPKNY-ZDUSSCGKSA-N 1 1 334.217 3.822 20 30 EHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H](O)COCc1ccccc1F ZINC000056512348 1036320469 /nfs/dbraw/zinc/32/04/69/1036320469.db2.gz WXLHJJKSYWJNOG-GOSISDBHSA-N 1 1 347.405 3.531 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)COCc1ccccc1F ZINC000056512348 1036320491 /nfs/dbraw/zinc/32/04/91/1036320491.db2.gz WXLHJJKSYWJNOG-GOSISDBHSA-N 1 1 347.405 3.531 20 30 EHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000165265688 1036353364 /nfs/dbraw/zinc/35/33/64/1036353364.db2.gz FHSWSKUXTZALIO-IBGZPJMESA-N 1 1 325.456 3.932 20 30 EHEDMO C=C[C@H](CC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000535478514 1036553057 /nfs/dbraw/zinc/55/30/57/1036553057.db2.gz FQOXVHBNVOSEOY-CEXWTWQISA-N 1 1 328.500 3.831 20 30 EHEDMO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccco1 ZINC000193056813 1036574867 /nfs/dbraw/zinc/57/48/67/1036574867.db2.gz QGVSGQWHWMJVGW-INIZCTEOSA-N 1 1 340.427 3.505 20 30 EHEDMO Cc1cccc2c1ncc(C#N)c2N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000589877319 1036648181 /nfs/dbraw/zinc/64/81/81/1036648181.db2.gz RSEXPLUBJLIUAA-OAHLLOKOSA-N 1 1 334.467 3.726 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2C2CCC2)c1C ZINC000102950154 1036810210 /nfs/dbraw/zinc/81/02/10/1036810210.db2.gz NTRPPFUOVLKPME-FQEVSTJZSA-N 1 1 339.483 3.815 20 30 EHEDMO COc1cc(C)c(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C)n1 ZINC000541928938 1036834356 /nfs/dbraw/zinc/83/43/56/1036834356.db2.gz WQODGVHTTLPZAH-QUCCMNQESA-N 1 1 335.451 3.979 20 30 EHEDMO COc1cc(C)c(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C)n1 ZINC000541928938 1036834366 /nfs/dbraw/zinc/83/43/66/1036834366.db2.gz WQODGVHTTLPZAH-QUCCMNQESA-N 1 1 335.451 3.979 20 30 EHEDMO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)o1 ZINC000464860273 1036918330 /nfs/dbraw/zinc/91/83/30/1036918330.db2.gz ZCIRZMNPDIJQBM-SYNHAJSKSA-N 1 1 345.487 3.669 20 30 EHEDMO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)o1 ZINC000464860273 1036918340 /nfs/dbraw/zinc/91/83/40/1036918340.db2.gz ZCIRZMNPDIJQBM-SYNHAJSKSA-N 1 1 345.487 3.669 20 30 EHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000443645322 1036941128 /nfs/dbraw/zinc/94/11/28/1036941128.db2.gz AMAKRGUQVJWUSD-HZSPNIEDSA-N 1 1 345.512 3.803 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)COc1cc(C)ccc1C ZINC000057950183 1037268822 /nfs/dbraw/zinc/26/88/22/1037268822.db2.gz CZXKMBRZUPDVEX-KRWDZBQOSA-N 1 1 331.481 3.793 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)cc(OC)c1O ZINC000539849736 1037276464 /nfs/dbraw/zinc/27/64/64/1037276464.db2.gz VXOKBDAFKJHGCG-AEFFLSMTSA-N 1 1 333.497 3.989 20 30 EHEDMO CCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc(C)cc1 ZINC000610913828 1037306739 /nfs/dbraw/zinc/30/67/39/1037306739.db2.gz QSRHDLRSWCCNHU-UHFFFAOYSA-N 1 1 339.439 3.927 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C)(C3CC3)CC2)c(C#N)c1C ZINC000352175986 1037311576 /nfs/dbraw/zinc/31/15/76/1037311576.db2.gz KFXGNRCSLHSXIH-ZDUSSCGKSA-N 1 1 329.444 3.607 20 30 EHEDMO COc1cccc([C@H](C)[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000088523718 1037379023 /nfs/dbraw/zinc/37/90/23/1037379023.db2.gz VMNYMELGYYAQHT-UWJYYQICSA-N 1 1 335.451 3.639 20 30 EHEDMO C=C(C)C[NH+]1CCC(NCc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000462784399 1037385639 /nfs/dbraw/zinc/38/56/39/1037385639.db2.gz FQVQKCCGMZSHGJ-UHFFFAOYSA-N 1 1 344.499 3.772 20 30 EHEDMO N#Cc1cc(F)ccc1N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000462793902 1037406220 /nfs/dbraw/zinc/40/62/20/1037406220.db2.gz VCJINSGLCOBSOU-UHFFFAOYSA-N 1 1 337.442 3.842 20 30 EHEDMO Cc1cccc2nc(C[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)cn21 ZINC000352809181 1037410968 /nfs/dbraw/zinc/41/09/68/1037410968.db2.gz FVJLAEBTSUNTQD-UHFFFAOYSA-N 1 1 344.340 3.823 20 30 EHEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000352889306 1037489003 /nfs/dbraw/zinc/48/90/03/1037489003.db2.gz XZDGKEIEBLSLEM-CJNGLKHVSA-N 1 1 338.398 3.675 20 30 EHEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000177541218 1037590053 /nfs/dbraw/zinc/59/00/53/1037590053.db2.gz JTCUECVYVAHFLJ-GHTZIAJQSA-N 1 1 347.462 3.811 20 30 EHEDMO C#C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000491655479 1037606574 /nfs/dbraw/zinc/60/65/74/1037606574.db2.gz HRUJSPXHJUKXKO-JOCHJYFZSA-N 1 1 347.437 3.626 20 30 EHEDMO C#C[C@H]([NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(F)cc1 ZINC000491682841 1037622332 /nfs/dbraw/zinc/62/23/32/1037622332.db2.gz VFCPRYBWYFLQKW-RTWAWAEBSA-N 1 1 339.410 3.848 20 30 EHEDMO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000532560277 1037640452 /nfs/dbraw/zinc/64/04/52/1037640452.db2.gz UBEHWUACDITXAR-NSHDSACASA-N 1 1 333.432 3.660 20 30 EHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c1 ZINC000271204662 1037659677 /nfs/dbraw/zinc/65/96/77/1037659677.db2.gz JVUHQBSJVQGJAB-KRWDZBQOSA-N 1 1 339.439 3.891 20 30 EHEDMO CC(C)c1ccc(-c2ncc(C[N@@H+]3CC[C@@](O)(CC#N)C3)s2)cc1 ZINC000592147271 1037847643 /nfs/dbraw/zinc/84/76/43/1037847643.db2.gz MXYDQCPJJROJSR-IBGZPJMESA-N 1 1 341.480 3.784 20 30 EHEDMO CC(C)c1ccc(-c2ncc(C[N@H+]3CC[C@@](O)(CC#N)C3)s2)cc1 ZINC000592147271 1037847667 /nfs/dbraw/zinc/84/76/67/1037847667.db2.gz MXYDQCPJJROJSR-IBGZPJMESA-N 1 1 341.480 3.784 20 30 EHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000540378706 1037888619 /nfs/dbraw/zinc/88/86/19/1037888619.db2.gz BZYUOHGDRVTXCR-NSHDSACASA-N 1 1 347.321 3.919 20 30 EHEDMO CC(C)N(C(=O)c1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592695025 1038100670 /nfs/dbraw/zinc/10/06/70/1038100670.db2.gz SDRZJDNCASWDPU-NRFANRHFSA-N 1 1 347.462 3.683 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C2CC2)C1 ZINC000378322512 1038459359 /nfs/dbraw/zinc/45/93/59/1038459359.db2.gz WOPHISUBZRKJSN-ZBFHGGJFSA-N 1 1 343.496 3.609 20 30 EHEDMO COc1cccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1OC ZINC000538726967 1038494208 /nfs/dbraw/zinc/49/42/08/1038494208.db2.gz KADGAUZVBQPCHH-RTBURBONSA-N 1 1 336.435 3.976 20 30 EHEDMO COc1cccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1OC ZINC000538726967 1038494212 /nfs/dbraw/zinc/49/42/12/1038494212.db2.gz KADGAUZVBQPCHH-RTBURBONSA-N 1 1 336.435 3.976 20 30 EHEDMO CC[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1ccc(C#N)cc1 ZINC000365796625 1038557849 /nfs/dbraw/zinc/55/78/49/1038557849.db2.gz QLPRAGOMMKGDEV-HNAYVOBHSA-N 1 1 331.423 3.941 20 30 EHEDMO C[N@@H+](CCc1cnccn1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000538942980 1038608272 /nfs/dbraw/zinc/60/82/72/1038608272.db2.gz FEYDRMFZQFIVLP-UHFFFAOYSA-N 1 1 328.419 3.690 20 30 EHEDMO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]2C[N@@H+](CCCC(C)(C)C#N)C[C@@H]21 ZINC000378650356 1038828633 /nfs/dbraw/zinc/82/86/33/1038828633.db2.gz WUWGXSDOSUWWKT-ULQDDVLXSA-N 1 1 349.519 3.942 20 30 EHEDMO CC[N@@H+](CCC1CCN(c2ccc(C#N)c(C)n2)CC1)CC(C)C ZINC000488112059 1038875200 /nfs/dbraw/zinc/87/52/00/1038875200.db2.gz PCZYDKRJIYJENZ-UHFFFAOYSA-N 1 1 328.504 3.846 20 30 EHEDMO C=CCOc1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)cc1 ZINC000552318020 1039200035 /nfs/dbraw/zinc/20/00/35/1039200035.db2.gz NSAUBJKDIXYAFB-OAQYLSRUSA-N 1 1 333.435 3.864 20 30 EHEDMO C=CCn1cccc1C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000488560964 1039275406 /nfs/dbraw/zinc/27/54/06/1039275406.db2.gz LIBRZVWKRDVTQR-UHFFFAOYSA-N 1 1 344.484 3.759 20 30 EHEDMO C=CC[C@H](C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000488628526 1039308515 /nfs/dbraw/zinc/30/85/15/1039308515.db2.gz YSJOEEVWHTVTJE-GCJKJVERSA-N 1 1 348.490 3.909 20 30 EHEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H](C)C1 ZINC000488710489 1039352471 /nfs/dbraw/zinc/35/24/71/1039352471.db2.gz FCCWTIFZCNXAAZ-PBFPGSCMSA-N 1 1 337.389 3.744 20 30 EHEDMO C=CCC1([NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CCOCC1 ZINC000668551118 1039579846 /nfs/dbraw/zinc/57/98/46/1039579846.db2.gz HYDXNZRNSGDRAX-ICSRJNTNSA-N 1 1 328.500 3.612 20 30 EHEDMO C[C@H](C[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000489206309 1039728118 /nfs/dbraw/zinc/72/81/18/1039728118.db2.gz OJYYLKQBGMMMQP-DYESRHJHSA-N 1 1 347.462 3.789 20 30 EHEDMO N#CCC[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000345302655 1039779574 /nfs/dbraw/zinc/77/95/74/1039779574.db2.gz QKRRTKWQLUHUOK-LLVKDONJSA-N 1 1 326.240 3.562 20 30 EHEDMO C=CCOc1ccccc1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000048236693 1039988894 /nfs/dbraw/zinc/98/88/94/1039988894.db2.gz GRSUJZSSBYVGLZ-KRWDZBQOSA-N 1 1 330.472 3.636 20 30 EHEDMO COc1ccc([C@H](C)[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000432889676 1040076371 /nfs/dbraw/zinc/07/63/71/1040076371.db2.gz HVBSOURVPAPWAZ-HNNXBMFYSA-N 1 1 337.423 3.588 20 30 EHEDMO C=CCC(C)(C)CNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000489736752 1040164435 /nfs/dbraw/zinc/16/44/35/1040164435.db2.gz HGZWIBBVYCUVKW-CHWSQXEVSA-N 1 1 334.426 3.614 20 30 EHEDMO COc1cc2c(cc1C[NH2+][C@H](C)c1ccc(C#N)cc1F)O[C@H](C)C2 ZINC000512618219 1040297593 /nfs/dbraw/zinc/29/75/93/1040297593.db2.gz HPSFSXUCKIPEIC-CHWSQXEVSA-N 1 1 340.398 3.880 20 30 EHEDMO C=C(C)[C@H]([NH2+][C@@H]1C[C@H]2CCCC[C@H]2NC1=O)c1ccc(F)c(F)c1 ZINC000660310786 1040313701 /nfs/dbraw/zinc/31/37/01/1040313701.db2.gz ABNWBBRUUIIFDE-BTPDRXCOSA-N 1 1 334.410 3.619 20 30 EHEDMO C[C@@H]1C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H]1c1ccccc1 ZINC000490055350 1040327108 /nfs/dbraw/zinc/32/71/08/1040327108.db2.gz BTHLSTUCPLNUFM-CZAAIQMYSA-N 1 1 345.446 3.747 20 30 EHEDMO N#Cc1cccc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512642390 1040382077 /nfs/dbraw/zinc/38/20/77/1040382077.db2.gz PEQZBZWGCAXEIH-RJGXRXQPSA-N 1 1 345.490 3.949 20 30 EHEDMO N#Cc1cccc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512642390 1040382096 /nfs/dbraw/zinc/38/20/96/1040382096.db2.gz PEQZBZWGCAXEIH-RJGXRXQPSA-N 1 1 345.490 3.949 20 30 EHEDMO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)CC2 ZINC000614176803 1040383919 /nfs/dbraw/zinc/38/39/19/1040383919.db2.gz JKVMLPACINKQOI-UHFFFAOYSA-N 1 1 348.446 3.833 20 30 EHEDMO N#CCCC[C@H](NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)c1ccccc1 ZINC000908382501 1040425489 /nfs/dbraw/zinc/42/54/89/1040425489.db2.gz JGYBUPHUKFASCT-CEXWTWQISA-N 1 1 325.456 3.555 20 30 EHEDMO C=C[C@H](CC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1)c1ccccc1 ZINC000553783965 1040448786 /nfs/dbraw/zinc/44/87/86/1040448786.db2.gz VOHWIZCUNNNJFS-JRBPQWBISA-N 1 1 326.484 3.535 20 30 EHEDMO C=C(C)C[N@@H+](C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000481221870 1040516814 /nfs/dbraw/zinc/51/68/14/1040516814.db2.gz CMERPYUWLVUINY-LJQANCHMSA-N 1 1 328.481 3.852 20 30 EHEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000481234254 1040534551 /nfs/dbraw/zinc/53/45/51/1040534551.db2.gz JCZHTWSFCQTMSA-GFCCVEGCSA-N 1 1 325.250 3.592 20 30 EHEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000481234254 1040534573 /nfs/dbraw/zinc/53/45/73/1040534573.db2.gz JCZHTWSFCQTMSA-GFCCVEGCSA-N 1 1 325.250 3.592 20 30 EHEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)cc1 ZINC000126163841 1040536369 /nfs/dbraw/zinc/53/63/69/1040536369.db2.gz DCXCXHFLGSUBGO-KBXCAEBGSA-N 1 1 344.842 3.695 20 30 EHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433057417 1040560960 /nfs/dbraw/zinc/56/09/60/1040560960.db2.gz LJMOUUYTORJPIZ-LPHOPBHVSA-N 1 1 333.435 3.765 20 30 EHEDMO Cc1nc(C[NH2+][C@@H](C)c2cccc(C#N)c2)sc1Br ZINC000453275689 1040591183 /nfs/dbraw/zinc/59/11/83/1040591183.db2.gz YYQOEBOYRCMENM-VIFPVBQESA-N 1 1 336.258 3.937 20 30 EHEDMO CSc1cc(Br)ccc1C[NH2+]CC1(C#N)CCC1 ZINC000418144870 1040649901 /nfs/dbraw/zinc/64/99/01/1040649901.db2.gz VICNPHMPDHHHEA-UHFFFAOYSA-N 1 1 325.275 3.954 20 30 EHEDMO Cc1cnc(C2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)s1 ZINC000433128910 1040853207 /nfs/dbraw/zinc/85/32/07/1040853207.db2.gz BZOJCOBQDGORPG-UHFFFAOYSA-N 1 1 336.464 3.956 20 30 EHEDMO C#CCNC(=O)C1CC[NH+]([C@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000491067873 1040901498 /nfs/dbraw/zinc/90/14/98/1040901498.db2.gz KRQQNOANQJWFIZ-GFCCVEGCSA-N 1 1 339.266 3.516 20 30 EHEDMO CC1CCN([C@H](C[NH2+]Cc2nc(C#N)cs2)c2ccccc2)CC1 ZINC000569860681 1041022818 /nfs/dbraw/zinc/02/28/18/1041022818.db2.gz JZPZFIQSRQGQSR-GOSISDBHSA-N 1 1 340.496 3.578 20 30 EHEDMO C=CCC(C)(C)C(=O)NC[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000429880589 1041072218 /nfs/dbraw/zinc/07/22/18/1041072218.db2.gz ACMGZABZGZKSOS-IBGZPJMESA-N 1 1 328.500 3.788 20 30 EHEDMO CC(C)(C)C[N@@H+](CCC#N)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000109812891 1041502668 /nfs/dbraw/zinc/50/26/68/1041502668.db2.gz ZTLYZOIXXQWRPW-UHFFFAOYSA-N 1 1 346.862 3.802 20 30 EHEDMO N#Cc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1F ZINC000511765212 1041586253 /nfs/dbraw/zinc/58/62/53/1041586253.db2.gz NWHRBKNGFGWGSY-VAMGGRTRSA-N 1 1 336.410 3.702 20 30 EHEDMO N#CCc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1 ZINC000511776187 1041599951 /nfs/dbraw/zinc/59/99/51/1041599951.db2.gz UBBPMAJSGRSUTR-FSSWDIPSSA-N 1 1 332.447 3.757 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000511876076 1041816080 /nfs/dbraw/zinc/81/60/80/1041816080.db2.gz RBQHAOUSNSRSDG-NJDAHSKKSA-N 1 1 345.446 3.765 20 30 EHEDMO C=CCCN(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662039486 1042475262 /nfs/dbraw/zinc/47/52/62/1042475262.db2.gz VYCRFCPXTDTMKT-LJQANCHMSA-N 1 1 341.499 3.506 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)Cc1ccc(SC)cc1 ZINC000662082624 1042505399 /nfs/dbraw/zinc/50/53/99/1042505399.db2.gz WPPFSFDSMWMLSA-CALCHBBNSA-N 1 1 330.497 3.550 20 30 EHEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000188575692 1042680370 /nfs/dbraw/zinc/68/03/70/1042680370.db2.gz HIBLKBQVCWESPA-SFHLNBCPSA-N 1 1 342.483 3.692 20 30 EHEDMO C[N@@H+]1Cc2ccccc2[C@@H](/N=C\c2cc(Br)ccc2O)C1 ZINC000756840621 1042688832 /nfs/dbraw/zinc/68/88/32/1042688832.db2.gz BMVRTZVBVATCBD-SCPBCGJWSA-N 1 1 345.240 3.760 20 30 EHEDMO Cc1cc(OCC[NH+]2CCN([C@H](C#N)C(C)C)CC2)ccc1C(C)C ZINC000609486077 1042983532 /nfs/dbraw/zinc/98/35/32/1042983532.db2.gz CLDFTSYSXOWFOW-OAQYLSRUSA-N 1 1 343.515 3.663 20 30 EHEDMO COc1ccc([C@H](C[NH+](C)C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000585765649 1043029407 /nfs/dbraw/zinc/02/94/07/1043029407.db2.gz JEKOXNDHZMWJNL-YADHBBJMSA-N 1 1 349.478 3.837 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000344203605 1043421125 /nfs/dbraw/zinc/42/11/25/1043421125.db2.gz FFUOFRMBHMUHQJ-DLBZAZTESA-N 1 1 327.472 3.690 20 30 EHEDMO Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000344353656 1043721464 /nfs/dbraw/zinc/72/14/64/1043721464.db2.gz CUAFYSIHPNDZTQ-QFBILLFUSA-N 1 1 348.450 3.651 20 30 EHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(OC(F)F)cc1 ZINC000512210238 1044162632 /nfs/dbraw/zinc/16/26/32/1044162632.db2.gz FGSQPJPDOJUPFW-UHFFFAOYSA-N 1 1 337.366 3.952 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(OC(F)F)cc1 ZINC000512210238 1044162638 /nfs/dbraw/zinc/16/26/38/1044162638.db2.gz FGSQPJPDOJUPFW-UHFFFAOYSA-N 1 1 337.366 3.952 20 30 EHEDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(SCC#N)c1 ZINC000154134837 1125696063 /nfs/dbraw/zinc/69/60/63/1125696063.db2.gz BYUHZWNONZYWIM-KRWDZBQOSA-N 1 1 345.512 3.543 20 30 EHEDMO OCC[C@@H]1CCCCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000671248167 1126818323 /nfs/dbraw/zinc/81/83/23/1126818323.db2.gz QNGVMJQVPRZRNQ-INIZCTEOSA-N 1 1 341.373 3.564 20 30 EHEDMO CCC(CC)C[N@H+](CCC#N)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000072692570 1126855173 /nfs/dbraw/zinc/85/51/73/1126855173.db2.gz GFZRKQOUNAKJAM-UHFFFAOYSA-N 1 1 342.439 3.953 20 30 EHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000072692570 1126855177 /nfs/dbraw/zinc/85/51/77/1126855177.db2.gz GFZRKQOUNAKJAM-UHFFFAOYSA-N 1 1 342.439 3.953 20 30 EHEDMO C=C(C)COc1cc(CN[C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1OC ZINC000175012807 1126864139 /nfs/dbraw/zinc/86/41/39/1126864139.db2.gz VYPINMFSUFNEJC-ZWKOTPCHSA-N 1 1 332.488 3.613 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CCc1cccs1 ZINC000072800805 1126887784 /nfs/dbraw/zinc/88/77/84/1126887784.db2.gz ABTPCURSLQMMFT-HNNXBMFYSA-N 1 1 348.537 3.887 20 30 EHEDMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000139582989 1126971529 /nfs/dbraw/zinc/97/15/29/1126971529.db2.gz UFKFTWLLOSRRGU-LBPRGKRZSA-N 1 1 339.420 3.997 20 30 EHEDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000139582989 1126971532 /nfs/dbraw/zinc/97/15/32/1126971532.db2.gz UFKFTWLLOSRRGU-LBPRGKRZSA-N 1 1 339.420 3.997 20 30 EHEDMO C[C@@H](NCC#Cc1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185700170 1126987240 /nfs/dbraw/zinc/98/72/40/1126987240.db2.gz KOVHOQWBNSGUQF-AEFFLSMTSA-N 1 1 330.903 3.934 20 30 EHEDMO C=CC[C@@H](C)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000083230063 1127239678 /nfs/dbraw/zinc/23/96/78/1127239678.db2.gz MGBQQRHHIWICFA-WIYYLYMNSA-N 1 1 341.499 3.649 20 30 EHEDMO CCOc1cccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c1Br ZINC001238688868 1127447405 /nfs/dbraw/zinc/44/74/05/1127447405.db2.gz CFHNVGSWRFBWOG-CYBMUJFWSA-N 1 1 337.261 3.973 20 30 EHEDMO CCOc1cccc(C[N@H+]2CCC[C@@H](C#N)CC2)c1Br ZINC001238688868 1127447407 /nfs/dbraw/zinc/44/74/07/1127447407.db2.gz CFHNVGSWRFBWOG-CYBMUJFWSA-N 1 1 337.261 3.973 20 30 EHEDMO CC(=[NH+]NCCc1ccccc1F)c1ccc(N2CCCC2)cc1O ZINC000764724970 1127526296 /nfs/dbraw/zinc/52/62/96/1127526296.db2.gz ZKWIZATVVRQOAN-UHFFFAOYSA-N 1 1 341.430 3.688 20 30 EHEDMO c1c(-c2ccccc2)sc2ncnc(N=NC3CC[N@H+]4CCC[C@@H]34)c12 ZINC000765556860 1127664293 /nfs/dbraw/zinc/66/42/93/1127664293.db2.gz PRCXFTATDWXIDM-INIZCTEOSA-N 1 1 349.463 3.994 20 30 EHEDMO C=CCC[N@H+]1CCOC[C@H]1c1c(C)nn(-c2ccccc2F)c1C ZINC000338572231 1127837495 /nfs/dbraw/zinc/83/74/95/1127837495.db2.gz OGVWUXQBARFBBS-SFHVURJKSA-N 1 1 329.419 3.578 20 30 EHEDMO C=CCC[N@@H+]1CCOC[C@H]1c1c(C)nn(-c2ccccc2F)c1C ZINC000338572231 1127837498 /nfs/dbraw/zinc/83/74/98/1127837498.db2.gz OGVWUXQBARFBBS-SFHVURJKSA-N 1 1 329.419 3.578 20 30 EHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2C3CCC2CC3)c1C#N ZINC000552828324 1127987126 /nfs/dbraw/zinc/98/71/26/1127987126.db2.gz QETXRTPVTPLKNV-UHFFFAOYSA-N 1 1 340.471 3.657 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000282207008 1128071158 /nfs/dbraw/zinc/07/11/58/1128071158.db2.gz HEFTXHORVNLCLC-YXUAKONQSA-N 1 1 325.500 3.817 20 30 EHEDMO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)nc1 ZINC000301250718 1128581049 /nfs/dbraw/zinc/58/10/49/1128581049.db2.gz MPHXIGCYQVFQCH-MRXNPFEDSA-N 1 1 344.821 3.822 20 30 EHEDMO N#Cc1ccc(N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)nc1 ZINC000301250718 1128581051 /nfs/dbraw/zinc/58/10/51/1128581051.db2.gz MPHXIGCYQVFQCH-MRXNPFEDSA-N 1 1 344.821 3.822 20 30 EHEDMO CC(C)[N@H+]1CC[C@@H](Nc2ncccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000302041807 1128616701 /nfs/dbraw/zinc/61/67/01/1128616701.db2.gz RSWBDUNKUWCGTF-MSOLQXFVSA-N 1 1 342.393 3.867 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(CNc2cc(C#N)nc3ccccc32)cn1 ZINC000301364563 1128588307 /nfs/dbraw/zinc/58/83/07/1128588307.db2.gz NDGWKWQRSGDUJV-UHFFFAOYSA-N 1 1 340.390 3.608 20 30 EHEDMO N#Cc1ccc(N2CCC[C@@H](Nc3cc[nH+]cc3Cl)C2)c(F)c1 ZINC000301525675 1128595191 /nfs/dbraw/zinc/59/51/91/1128595191.db2.gz PNVYLGNULGACQV-CYBMUJFWSA-N 1 1 330.794 3.827 20 30 EHEDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000301633779 1128600335 /nfs/dbraw/zinc/60/03/35/1128600335.db2.gz KGKAFEUUGSDCBO-CYBMUJFWSA-N 1 1 325.378 3.745 20 30 EHEDMO N#Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c2ccccc2n1 ZINC000301801812 1128606306 /nfs/dbraw/zinc/60/63/06/1128606306.db2.gz WJGCBSXTLCZAQV-YWZLYKJASA-N 1 1 332.451 3.560 20 30 EHEDMO Cc1nc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)ccc1C#N ZINC000108254860 1128611959 /nfs/dbraw/zinc/61/19/59/1128611959.db2.gz ZJUHQXQHOZUZIV-OAHLLOKOSA-N 1 1 348.450 3.888 20 30 EHEDMO CC(=O)c1ccc(C#N)cc1NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000302113167 1128620607 /nfs/dbraw/zinc/62/06/07/1128620607.db2.gz QIGVMRWIGPVYGB-HNNXBMFYSA-N 1 1 333.435 3.620 20 30 EHEDMO N#Cc1cccnc1N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000302182742 1128624668 /nfs/dbraw/zinc/62/46/68/1128624668.db2.gz SGGQCASJPIVFNG-HSALFYBXSA-N 1 1 332.451 3.666 20 30 EHEDMO CC(C)CC[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000108360057 1128627881 /nfs/dbraw/zinc/62/78/81/1128627881.db2.gz VSTJDEZAXHFCCE-HNNXBMFYSA-N 1 1 333.501 3.997 20 30 EHEDMO C[N@H+]1CCC[C@@H](CNc2c(C#N)cccc2C#N)[C@@H]1c1cccs1 ZINC000302871643 1128652122 /nfs/dbraw/zinc/65/21/22/1128652122.db2.gz CAHRKCIXVQAYPN-QFBILLFUSA-N 1 1 336.464 3.986 20 30 EHEDMO N#Cc1cc(F)ccc1CN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000303233866 1128671200 /nfs/dbraw/zinc/67/12/00/1128671200.db2.gz ZKSZXHRILLYUMR-UHFFFAOYSA-N 1 1 329.463 3.785 20 30 EHEDMO C[C@H]1C[C@H](NCc2csc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000921816799 1128784295 /nfs/dbraw/zinc/78/42/95/1128784295.db2.gz KCNITBLHPVGTKT-MAUKXSAKSA-N 1 1 325.481 3.762 20 30 EHEDMO C[C@H]1C[C@H]([NH2+]Cc2csc(C#N)c2)CCN1Cc1ccccc1 ZINC000921816799 1128784297 /nfs/dbraw/zinc/78/42/97/1128784297.db2.gz KCNITBLHPVGTKT-MAUKXSAKSA-N 1 1 325.481 3.762 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCN(Cc3cc(F)ccc3Cl)CC2)cc1 ZINC000445798845 1128805223 /nfs/dbraw/zinc/80/52/23/1128805223.db2.gz KOSYGYKSBNAYGC-UHFFFAOYSA-N 1 1 343.833 3.669 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1O ZINC000129148521 1120141891 /nfs/dbraw/zinc/14/18/91/1120141891.db2.gz PKIBIYKFSOTOTD-VQIMIIECSA-N 1 1 331.456 3.520 20 30 EHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000595876144 1120362630 /nfs/dbraw/zinc/36/26/30/1120362630.db2.gz DTMWNDUOVBMZKO-MAUKXSAKSA-N 1 1 333.435 3.547 20 30 EHEDMO C/C(=C/c1ccccc1)C[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000494233144 1120511498 /nfs/dbraw/zinc/51/14/98/1120511498.db2.gz GMPSAIXKJJGHQS-UVTDQMKNSA-N 1 1 337.423 3.742 20 30 EHEDMO C/C(=C/c1ccccc1)C[N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000494233144 1120511500 /nfs/dbraw/zinc/51/15/00/1120511500.db2.gz GMPSAIXKJJGHQS-UVTDQMKNSA-N 1 1 337.423 3.742 20 30 EHEDMO Cc1cccn2cc(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)nc12 ZINC000609195203 1120543379 /nfs/dbraw/zinc/54/33/79/1120543379.db2.gz CCFYAUBHMHVJDV-UHFFFAOYSA-N 1 1 346.434 3.558 20 30 EHEDMO C[N@@H+](CC(C)(C)CCC#N)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000494474950 1120568653 /nfs/dbraw/zinc/56/86/53/1120568653.db2.gz YWGGNVDPQAOBLD-UHFFFAOYSA-N 1 1 325.497 3.799 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000189341343 1120579091 /nfs/dbraw/zinc/57/90/91/1120579091.db2.gz RAIWWAQUFDRUPP-UWJYYQICSA-N 1 1 330.435 3.502 20 30 EHEDMO Cc1cccc2nc(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)cn21 ZINC000171609627 1120777777 /nfs/dbraw/zinc/77/77/77/1120777777.db2.gz UDZNNAGVCKJNNU-UHFFFAOYSA-N 1 1 346.434 3.558 20 30 EHEDMO C=CCOc1ccccc1C(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000193633904 1120788926 /nfs/dbraw/zinc/78/89/26/1120788926.db2.gz GFBMVJCEQKQHMD-UHFFFAOYSA-N 1 1 344.499 3.836 20 30 EHEDMO CCOc1ccc(O)c(/C=N\C[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000914558400 1120896418 /nfs/dbraw/zinc/89/64/18/1120896418.db2.gz VVYCCMBNRKAEIG-LRSOKBAUSA-N 1 1 338.451 3.657 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000487846180 1120974041 /nfs/dbraw/zinc/97/40/41/1120974041.db2.gz VMCPXMRXCWGOBW-ZDUSSCGKSA-N 1 1 327.815 3.843 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000487846180 1120974045 /nfs/dbraw/zinc/97/40/45/1120974045.db2.gz VMCPXMRXCWGOBW-ZDUSSCGKSA-N 1 1 327.815 3.843 20 30 EHEDMO CC(C)(C)[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1O ZINC000495444902 1121199362 /nfs/dbraw/zinc/19/93/62/1121199362.db2.gz NVNSFFSZANYCCN-IAGOWNOFSA-N 1 1 339.401 3.786 20 30 EHEDMO CCc1nnc(SCC[N@@H+](C)Cc2ccccc2)c(C#N)c1CC ZINC000193745404 1121612979 /nfs/dbraw/zinc/61/29/79/1121612979.db2.gz WBJFAVQOSWWYTE-UHFFFAOYSA-N 1 1 340.496 3.697 20 30 EHEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000077266494 1129004834 /nfs/dbraw/zinc/00/48/34/1129004834.db2.gz HYNVZQYOFTXFEZ-INIZCTEOSA-N 1 1 349.434 3.900 20 30 EHEDMO Cc1ccc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000122810323 1121926473 /nfs/dbraw/zinc/92/64/73/1121926473.db2.gz NQHSAVMWMKYGLD-UHFFFAOYSA-N 1 1 325.481 3.636 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000488073949 1122045284 /nfs/dbraw/zinc/04/52/84/1122045284.db2.gz MKGSTLHXLWBRMS-CQSZACIVSA-N 1 1 327.378 3.720 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000496439663 1122083287 /nfs/dbraw/zinc/08/32/87/1122083287.db2.gz XPSKABJLHXSAFA-CYBMUJFWSA-N 1 1 345.434 3.551 20 30 EHEDMO CC[N@@H+](CCNC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)C ZINC000077466317 1129032998 /nfs/dbraw/zinc/03/29/98/1129032998.db2.gz OHFBRLVVOCCGMK-HNNXBMFYSA-N 1 1 348.516 3.790 20 30 EHEDMO CCOc1ccc(C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C(C)C)cc1 ZINC000763409832 1122230089 /nfs/dbraw/zinc/23/00/89/1122230089.db2.gz UNUZZMIOPFUAPK-NRFANRHFSA-N 1 1 338.451 3.901 20 30 EHEDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000763412685 1122233221 /nfs/dbraw/zinc/23/32/21/1122233221.db2.gz HGMKXNGQZXCABM-SFTDATJTSA-N 1 1 340.442 3.930 20 30 EHEDMO C=CC[C@H](C)NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000126506839 1122410215 /nfs/dbraw/zinc/41/02/15/1122410215.db2.gz RBOIETBHCLCTOK-SXLOBPIMSA-N 1 1 341.499 3.647 20 30 EHEDMO C=CC[N@H+](Cc1cc2c(cc1Br)OCCO2)C(C)C ZINC000917070457 1122476383 /nfs/dbraw/zinc/47/63/83/1122476383.db2.gz BUQSLIFYJOSYLJ-UHFFFAOYSA-N 1 1 326.234 3.617 20 30 EHEDMO C=CC[N@@H+](Cc1cc2c(cc1Br)OCCO2)C(C)C ZINC000917070457 1122476385 /nfs/dbraw/zinc/47/63/85/1122476385.db2.gz BUQSLIFYJOSYLJ-UHFFFAOYSA-N 1 1 326.234 3.617 20 30 EHEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000497384735 1122531076 /nfs/dbraw/zinc/53/10/76/1122531076.db2.gz FFXISHBWEFZEJF-OAQYLSRUSA-N 1 1 335.451 3.504 20 30 EHEDMO C=CCn1c(SC[C@@H]2CCC[N@@H+]2C)nnc1-c1ccccc1C ZINC000917266433 1122563698 /nfs/dbraw/zinc/56/36/98/1122563698.db2.gz XLVYQSPMKRHTOE-HNNXBMFYSA-N 1 1 328.485 3.626 20 30 EHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(-n2cncn2)cc1 ZINC000154382627 1122594848 /nfs/dbraw/zinc/59/48/48/1122594848.db2.gz HCFMFKOTQTWQEH-UHFFFAOYSA-N 1 1 331.423 3.550 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1O ZINC000919939715 1123239700 /nfs/dbraw/zinc/23/97/00/1123239700.db2.gz HKRDOCONKKVVPR-OALUTQOASA-N 1 1 331.456 3.663 20 30 EHEDMO C[N@@H+](CC/N=C/c1cc(Br)ccc1O)Cc1ccccc1 ZINC000920175389 1123332654 /nfs/dbraw/zinc/33/26/54/1123332654.db2.gz WFQOWUAMEQECEP-XDHOZWIPSA-N 1 1 347.256 3.706 20 30 EHEDMO Clc1ccc(C#CCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134936875 1123566762 /nfs/dbraw/zinc/56/67/62/1123566762.db2.gz GNUKYXCDPDLPNZ-XLIONFOSSA-N 1 1 328.887 3.640 20 30 EHEDMO C=C[C@@](C)(CC)C(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000135038628 1123576240 /nfs/dbraw/zinc/57/62/40/1123576240.db2.gz QITUWWKDQJVHLK-IBGZPJMESA-N 1 1 349.544 3.636 20 30 EHEDMO C[C@H](C#N)Oc1ccc(CNC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC000237598536 1123785598 /nfs/dbraw/zinc/78/55/98/1123785598.db2.gz FPEBKZZHCJNEAY-MBOZVWFJSA-N 1 1 329.488 3.578 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000245466272 1123840620 /nfs/dbraw/zinc/84/06/20/1123840620.db2.gz RAONTIWKXZVDJM-RBSFLKMASA-N 1 1 331.485 3.892 20 30 EHEDMO N#Cc1ccc(NCc2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC000068428231 1123941578 /nfs/dbraw/zinc/94/15/78/1123941578.db2.gz FBNPZANAUXQVQB-UHFFFAOYSA-N 1 1 341.842 3.656 20 30 EHEDMO CCCC1CCC([N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000616875168 1124043701 /nfs/dbraw/zinc/04/37/01/1124043701.db2.gz SPTGFPMPGQKLKV-LYBXBRPPSA-N 1 1 344.499 3.783 20 30 EHEDMO CC(C)[N@@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000069071241 1124100334 /nfs/dbraw/zinc/10/03/34/1124100334.db2.gz NJYJIMSOBJZAHC-SFHVURJKSA-N 1 1 349.478 3.988 20 30 EHEDMO C=CCCC1(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CCCC1 ZINC000617416898 1124519514 /nfs/dbraw/zinc/51/95/14/1124519514.db2.gz BWHJCDFOLJIDJW-LJQANCHMSA-N 1 1 341.499 3.689 20 30 EHEDMO C=CCCC1(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CCCC1 ZINC000617416898 1124519524 /nfs/dbraw/zinc/51/95/24/1124519524.db2.gz BWHJCDFOLJIDJW-LJQANCHMSA-N 1 1 341.499 3.689 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc(F)c2C(F)(F)F)no1 ZINC001212325581 1124670119 /nfs/dbraw/zinc/67/01/19/1124670119.db2.gz WBCSJAPZFVWFLK-NSHDSACASA-N 1 1 327.281 3.698 20 30 EHEDMO C[C@H](NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181556780 1124935746 /nfs/dbraw/zinc/93/57/46/1124935746.db2.gz ROBOWZWZRDFVJG-KSZLIROESA-N 1 1 343.515 3.996 20 30 EHEDMO C[C@H]([NH2+]CC(C)(C)N1C[C@H](C)C[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181556780 1124935753 /nfs/dbraw/zinc/93/57/53/1124935753.db2.gz ROBOWZWZRDFVJG-KSZLIROESA-N 1 1 343.515 3.996 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000618337591 1125050342 /nfs/dbraw/zinc/05/03/42/1125050342.db2.gz OMEKKXVWERLPIJ-HXUWFJFHSA-N 1 1 338.451 3.517 20 30 EHEDMO CC(C)c1ccc2ncc(C#N)c(NC[C@@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000618582928 1125117154 /nfs/dbraw/zinc/11/71/54/1125117154.db2.gz HKGNCJNPLDDIGW-HNNXBMFYSA-N 1 1 334.467 3.548 20 30 EHEDMO C[C@H]1CC[C@@]2(CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)C1 ZINC000619073477 1125272589 /nfs/dbraw/zinc/27/25/89/1125272589.db2.gz FELIGTLFWJLORH-LAUBAEHRSA-N 1 1 349.482 3.871 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H]2CCCC[C@H]12 ZINC000182485154 1125317796 /nfs/dbraw/zinc/31/77/96/1125317796.db2.gz BCNCQUUMXHYUTF-YSGRDPCXSA-N 1 1 334.467 3.969 20 30 EHEDMO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H](C)O2 ZINC000619532298 1125358701 /nfs/dbraw/zinc/35/87/01/1125358701.db2.gz FKIPVSIWZKPHNN-LLGFUMIMSA-N 1 1 342.483 3.646 20 30 EHEDMO N#Cc1ccccc1NC(=O)CC[NH+](Cc1ccco1)Cc1ccco1 ZINC000198390535 1125441655 /nfs/dbraw/zinc/44/16/55/1125441655.db2.gz UNPZFLVYOXSNHV-UHFFFAOYSA-N 1 1 349.390 3.775 20 30 EHEDMO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000066898186 1129221092 /nfs/dbraw/zinc/22/10/92/1129221092.db2.gz FRDBTVONKFLWGJ-INIZCTEOSA-N 1 1 339.464 3.828 20 30 EHEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000066898186 1129221094 /nfs/dbraw/zinc/22/10/94/1129221094.db2.gz FRDBTVONKFLWGJ-INIZCTEOSA-N 1 1 339.464 3.828 20 30 EHEDMO CC(C)[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1 ZINC000010931025 1129264295 /nfs/dbraw/zinc/26/42/95/1129264295.db2.gz JRHQMLMTKHYVSD-UHFFFAOYSA-N 1 1 327.472 3.582 20 30 EHEDMO COc1ccc([C@H](C)[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000067962653 1129326527 /nfs/dbraw/zinc/32/65/27/1129326527.db2.gz NKBBTUMYADWZJE-HNNXBMFYSA-N 1 1 337.423 3.588 20 30 EHEDMO N#Cc1ccsc1NC(=O)C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000068333618 1129362086 /nfs/dbraw/zinc/36/20/86/1129362086.db2.gz RCLOLPOGBLFCMD-KRWDZBQOSA-N 1 1 337.448 3.710 20 30 EHEDMO N#Cc1ccsc1NC(=O)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000068333618 1129362090 /nfs/dbraw/zinc/36/20/90/1129362090.db2.gz RCLOLPOGBLFCMD-KRWDZBQOSA-N 1 1 337.448 3.710 20 30 EHEDMO CC#CCCCC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000466311205 1129379996 /nfs/dbraw/zinc/37/99/96/1129379996.db2.gz RLBKIUUCCZWPDI-UYAOXDASSA-N 1 1 348.437 3.798 20 30 EHEDMO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000466311205 1129380000 /nfs/dbraw/zinc/38/00/00/1129380000.db2.gz RLBKIUUCCZWPDI-UYAOXDASSA-N 1 1 348.437 3.798 20 30 EHEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)[C@@H](C)c1cccc(O)c1 ZINC000080932223 1129388667 /nfs/dbraw/zinc/38/86/67/1129388667.db2.gz DXKPHWTUXOTJOC-HNNXBMFYSA-N 1 1 340.423 3.734 20 30 EHEDMO CN(C(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000081189149 1129405757 /nfs/dbraw/zinc/40/57/57/1129405757.db2.gz HYFCTEDJVUOBIP-HXUWFJFHSA-N 1 1 348.450 3.687 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000735670906 1131372304 /nfs/dbraw/zinc/37/23/04/1131372304.db2.gz ZLLKULDDQDQVPT-BZUAXINKSA-N 1 1 343.471 3.949 20 30 EHEDMO N#Cc1ccccc1NC(=O)CC[N@@H+](CC1CC1)C1CCCCC1 ZINC000069079219 1129422178 /nfs/dbraw/zinc/42/21/78/1129422178.db2.gz HRVUMKKOIZTVDN-UHFFFAOYSA-N 1 1 325.456 3.932 20 30 EHEDMO CCC[N@H+](Cc1cc(C#N)cs1)[C@H](C)C(=O)Nc1ccccc1 ZINC000092710717 1129558280 /nfs/dbraw/zinc/55/82/80/1129558280.db2.gz UVAUBJNGZSAIAV-CQSZACIVSA-N 1 1 327.453 3.859 20 30 EHEDMO CCC[N@@H+](Cc1cc(C#N)cs1)[C@H](C)C(=O)Nc1ccccc1 ZINC000092710717 1129558283 /nfs/dbraw/zinc/55/82/83/1129558283.db2.gz UVAUBJNGZSAIAV-CQSZACIVSA-N 1 1 327.453 3.859 20 30 EHEDMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093008190 1129572189 /nfs/dbraw/zinc/57/21/89/1129572189.db2.gz UKNYWIDDUSBJOV-SFHVURJKSA-N 1 1 332.407 3.552 20 30 EHEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093008190 1129572193 /nfs/dbraw/zinc/57/21/93/1129572193.db2.gz UKNYWIDDUSBJOV-SFHVURJKSA-N 1 1 332.407 3.552 20 30 EHEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000509005518 1129637380 /nfs/dbraw/zinc/63/73/80/1129637380.db2.gz CYFYNZQATSOMRQ-HXUWFJFHSA-N 1 1 339.483 3.888 20 30 EHEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000509005518 1129637382 /nfs/dbraw/zinc/63/73/82/1129637382.db2.gz CYFYNZQATSOMRQ-HXUWFJFHSA-N 1 1 339.483 3.888 20 30 EHEDMO N#Cc1c(F)cccc1CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000428960465 1129642245 /nfs/dbraw/zinc/64/22/45/1129642245.db2.gz IQHWURHHTDKUJA-MRXNPFEDSA-N 1 1 338.430 3.610 20 30 EHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000428960465 1129642246 /nfs/dbraw/zinc/64/22/46/1129642246.db2.gz IQHWURHHTDKUJA-MRXNPFEDSA-N 1 1 338.430 3.610 20 30 EHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000428960465 1129642249 /nfs/dbraw/zinc/64/22/49/1129642249.db2.gz IQHWURHHTDKUJA-MRXNPFEDSA-N 1 1 338.430 3.610 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)s1)[C@H](C)C(=O)Nc1ccccc1 ZINC000124948987 1129647450 /nfs/dbraw/zinc/64/74/50/1129647450.db2.gz QXPIAMAZSAFJJT-CQSZACIVSA-N 1 1 327.453 3.859 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)C(=O)Nc1ccccc1 ZINC000124948987 1129647455 /nfs/dbraw/zinc/64/74/55/1129647455.db2.gz QXPIAMAZSAFJJT-CQSZACIVSA-N 1 1 327.453 3.859 20 30 EHEDMO COc1ccccc1/C=C/C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000509101215 1129747498 /nfs/dbraw/zinc/74/74/98/1129747498.db2.gz VJGQSBCMEDRGOD-UXBLZVDNSA-N 1 1 347.462 3.792 20 30 EHEDMO Cc1oc(NC(=O)C[N@@H+](Cc2ccccc2)C(C)C)c(C#N)c1C ZINC000097000612 1129754206 /nfs/dbraw/zinc/75/42/06/1129754206.db2.gz HVTVUOJESZNYPF-UHFFFAOYSA-N 1 1 325.412 3.617 20 30 EHEDMO N#Cc1ccccc1SC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000556338274 1129874303 /nfs/dbraw/zinc/87/43/03/1129874303.db2.gz ZMRXQTKOZVTROL-IBGZPJMESA-N 1 1 338.476 3.941 20 30 EHEDMO C[C@@H](C1CC1)[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000029841583 1129903194 /nfs/dbraw/zinc/90/31/94/1129903194.db2.gz WKLXJGVWENPRHU-INIZCTEOSA-N 1 1 333.435 3.797 20 30 EHEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000625701208 1129986078 /nfs/dbraw/zinc/98/60/78/1129986078.db2.gz NXHKDSUJWDLTIH-CABCVRRESA-N 1 1 342.302 3.553 20 30 EHEDMO Oc1ccc2c(c1)CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000674250299 1130037860 /nfs/dbraw/zinc/03/78/60/1130037860.db2.gz ZKOONEZMJVSBSW-UHFFFAOYSA-N 1 1 345.364 3.863 20 30 EHEDMO CCCn1ccnc1CCC[N@@H+](C)CC#Cc1ccccc1Cl ZINC000429228347 1130082560 /nfs/dbraw/zinc/08/25/60/1130082560.db2.gz RCQSGEFURWQUQF-UHFFFAOYSA-N 1 1 329.875 3.863 20 30 EHEDMO CCS[C@@H]1CCCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173730416 1130295841 /nfs/dbraw/zinc/29/58/41/1130295841.db2.gz SGZHCHDTHDXVAH-MRXNPFEDSA-N 1 1 342.468 3.716 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000246771160 1130410271 /nfs/dbraw/zinc/41/02/71/1130410271.db2.gz LCPNDQFRVUDNDR-GPMSIDNRSA-N 1 1 333.435 3.763 20 30 EHEDMO N#Cc1cccc(NC(=O)C[N@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000731847778 1130848989 /nfs/dbraw/zinc/84/89/89/1130848989.db2.gz OFTKYMULKDWNQQ-UHFFFAOYSA-N 1 1 349.434 3.647 20 30 EHEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCOc1cccc(C#N)c1 ZINC000731892058 1130855041 /nfs/dbraw/zinc/85/50/41/1130855041.db2.gz DIYDIUNVIPCGNH-WWMYMODYSA-N 1 1 336.435 3.788 20 30 EHEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1CCOc1cccc(C#N)c1 ZINC000731892058 1130855046 /nfs/dbraw/zinc/85/50/46/1130855046.db2.gz DIYDIUNVIPCGNH-WWMYMODYSA-N 1 1 336.435 3.788 20 30 EHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)/C=C/c2ccccc2C#N)C1 ZINC000732134982 1130887655 /nfs/dbraw/zinc/88/76/55/1130887655.db2.gz CYQUMQZJEWHYQC-FMQWLBJXSA-N 1 1 339.483 3.588 20 30 EHEDMO C#CCOc1ccccc1C[NH2+]CC(=O)Nc1cccc2ccccc21 ZINC000732231762 1130902919 /nfs/dbraw/zinc/90/29/19/1130902919.db2.gz YUBIIFNKTZZJIS-UHFFFAOYSA-N 1 1 344.414 3.580 20 30 EHEDMO C#CCOc1cccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000732290487 1130910527 /nfs/dbraw/zinc/91/05/27/1130910527.db2.gz ROYVJKUYUYPNEY-GOSISDBHSA-N 1 1 342.826 3.593 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1O ZINC000732498154 1130928100 /nfs/dbraw/zinc/92/81/00/1130928100.db2.gz YMWMPXNYXOOZOF-UHFFFAOYSA-N 1 1 340.467 3.827 20 30 EHEDMO C=CC[N@H+](CC1CCCCC1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000732667674 1130946456 /nfs/dbraw/zinc/94/64/56/1130946456.db2.gz BHISQQNMKSXIEF-UHFFFAOYSA-N 1 1 345.399 3.529 20 30 EHEDMO C=CC[N@@H+](CC1CCCCC1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000732667674 1130946460 /nfs/dbraw/zinc/94/64/60/1130946460.db2.gz BHISQQNMKSXIEF-UHFFFAOYSA-N 1 1 345.399 3.529 20 30 EHEDMO COc1cc(CN[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)ccc1C#N ZINC000282614816 1131113383 /nfs/dbraw/zinc/11/33/83/1131113383.db2.gz FCYGVJXUTBDPSV-SFHVURJKSA-N 1 1 343.858 3.613 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1cnc2ccccc2n1 ZINC000734365806 1131225718 /nfs/dbraw/zinc/22/57/18/1131225718.db2.gz TWAADOSXSUMISD-MRXNPFEDSA-N 1 1 345.450 3.940 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000739912443 1131516868 /nfs/dbraw/zinc/51/68/68/1131516868.db2.gz KNYBMPNDPFJBCV-QUCCMNQESA-N 1 1 334.419 3.570 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000739912443 1131516871 /nfs/dbraw/zinc/51/68/71/1131516871.db2.gz KNYBMPNDPFJBCV-QUCCMNQESA-N 1 1 334.419 3.570 20 30 EHEDMO CC[N@H+]1CCC(N=Nc2ncc(C(F)(F)F)cc2Cl)[C@@H](C)C1 ZINC000741452007 1131607474 /nfs/dbraw/zinc/60/74/74/1131607474.db2.gz TYTFBFBEBRWARO-VIFPVBQESA-N 1 1 334.773 3.883 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000741782426 1131647062 /nfs/dbraw/zinc/64/70/62/1131647062.db2.gz VAUNUXNKBBOLQV-HXUWFJFHSA-N 1 1 336.435 3.743 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000741782879 1131647191 /nfs/dbraw/zinc/64/71/91/1131647191.db2.gz YJRBNNAICLHDHQ-DNVCBOLYSA-N 1 1 335.407 3.576 20 30 EHEDMO C[C@H](CCCC#N)[N@H+]1CCc2ncnc(-c3ccsc3)c2CC1 ZINC001172494573 1131757361 /nfs/dbraw/zinc/75/73/61/1131757361.db2.gz IHXNOUSSAOVFLM-CQSZACIVSA-N 1 1 326.469 3.688 20 30 EHEDMO C[C@@H](CCCC#N)[NH2+][C@H](c1nc2ccccc2n1C)c1ccccn1 ZINC001172492577 1131757511 /nfs/dbraw/zinc/75/75/11/1131757511.db2.gz SNRRBGFKAFUBHS-KXBFYZLASA-N 1 1 333.439 3.730 20 30 EHEDMO Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@H+]([C@H](C)CCCC#N)C2 ZINC001172496382 1131758655 /nfs/dbraw/zinc/75/86/55/1131758655.db2.gz ZVLJKBWIZBOYNH-GOSISDBHSA-N 1 1 349.482 3.690 20 30 EHEDMO CCOC(=O)[C@H]1CC[N@H+]([C@H](C)CCCC#N)C[C@H]1c1ccccc1 ZINC001172498455 1131759998 /nfs/dbraw/zinc/75/99/98/1131759998.db2.gz NBWJURUDVCILEM-NEWSRXKRSA-N 1 1 328.456 3.738 20 30 EHEDMO C[C@H](CCCC#N)[N@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC001172498627 1131760110 /nfs/dbraw/zinc/76/01/10/1131760110.db2.gz NFMZEDVPIRNQEJ-GNOXNVMVSA-N 1 1 343.446 3.805 20 30 EHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](C1CC(C)(C)OC(C)(C)C1)C2 ZINC001172656403 1131803271 /nfs/dbraw/zinc/80/32/71/1131803271.db2.gz LTKWODVQHDBNBE-OAQYLSRUSA-N 1 1 348.531 3.756 20 30 EHEDMO C=CCN1CC[C@@]2(CCC[N@H+](C3CCC4(CCCC4)CC3)C2)C1=O ZINC001172726307 1131825208 /nfs/dbraw/zinc/82/52/08/1131825208.db2.gz NOBSEPUCCPXSIL-OAQYLSRUSA-N 1 1 330.516 3.990 20 30 EHEDMO CCC[C@@H]1CC(=O)N(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)C1 ZINC000743356308 1131901527 /nfs/dbraw/zinc/90/15/27/1131901527.db2.gz NGTGWQZVLXOECL-LJQANCHMSA-N 1 1 327.472 3.622 20 30 EHEDMO CCC[C@H]1CCCC[N@H+]1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172982816 1131925318 /nfs/dbraw/zinc/92/53/18/1131925318.db2.gz AGTYVKFDYHPEDD-BBWFWOEESA-N 1 1 335.492 3.933 20 30 EHEDMO C[C@H]1CCN(Cc2ccc(OCC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000743872041 1131998586 /nfs/dbraw/zinc/99/85/86/1131998586.db2.gz PCPORPFDNJHGLL-IBGZPJMESA-N 1 1 349.478 3.685 20 30 EHEDMO C[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)CCN1Cc1ccccc1 ZINC000743872041 1131998592 /nfs/dbraw/zinc/99/85/92/1131998592.db2.gz PCPORPFDNJHGLL-IBGZPJMESA-N 1 1 349.478 3.685 20 30 EHEDMO C[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)CCN1Cc1ccccc1 ZINC000743872041 1131998601 /nfs/dbraw/zinc/99/86/01/1131998601.db2.gz PCPORPFDNJHGLL-IBGZPJMESA-N 1 1 349.478 3.685 20 30 EHEDMO C=CCOC1CCC(n2ccc(C[NH2+]Cc3ccccc3)n2)CC1 ZINC001173322779 1132045142 /nfs/dbraw/zinc/04/51/42/1132045142.db2.gz MAJUJWVZVCEINI-UHFFFAOYSA-N 1 1 325.456 3.859 20 30 EHEDMO N#CCC1CCC([N@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)CC1 ZINC001173336223 1132052661 /nfs/dbraw/zinc/05/26/61/1132052661.db2.gz SCKDAXZDLZMTKC-MRYXYKOTSA-N 1 1 346.515 3.897 20 30 EHEDMO C[C@@H]1CC[N@H+](C2CCC(CC#N)CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001173336745 1132052717 /nfs/dbraw/zinc/05/27/17/1132052717.db2.gz KBEXGWQSZSMZRZ-VXLLPVPCSA-N 1 1 335.492 3.694 20 30 EHEDMO COC(=O)CCCC[C@H](C)[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001173456346 1132082802 /nfs/dbraw/zinc/08/28/02/1132082802.db2.gz CAIHUHQVPSBBBA-FUHWJXTLSA-N 1 1 344.455 3.523 20 30 EHEDMO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173593195 1132098022 /nfs/dbraw/zinc/09/80/22/1132098022.db2.gz FYXQGEJASZFCJN-VVVNUSAQSA-N 1 1 333.476 3.543 20 30 EHEDMO CC(C)C[C@@H]1CC(=O)N(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)C1 ZINC000744433779 1132098644 /nfs/dbraw/zinc/09/86/44/1132098644.db2.gz MGXFAMZNNAGJED-HXUWFJFHSA-N 1 1 341.499 3.868 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173596654 1132098666 /nfs/dbraw/zinc/09/86/66/1132098666.db2.gz AVYUQGPBAWHWJB-XUJQIHCRSA-N 1 1 335.492 3.696 20 30 EHEDMO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2C2CCC(C)(C#N)CC2)O1 ZINC001173594612 1132098915 /nfs/dbraw/zinc/09/89/15/1132098915.db2.gz ISXGCXOTKQIAHY-HWRPDCHHSA-N 1 1 334.504 3.753 20 30 EHEDMO CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173598352 1132100592 /nfs/dbraw/zinc/10/05/92/1132100592.db2.gz PRDKSTOYXFOARG-LYGPFTKASA-N 1 1 335.492 3.790 20 30 EHEDMO COc1ccccc1[C@H](O)C[N@@H+](C(C)C)C1CCC(C)(C#N)CC1 ZINC001173598253 1132100690 /nfs/dbraw/zinc/10/06/90/1132100690.db2.gz OHAWZLMYXYGPPX-KGXSXCIVSA-N 1 1 330.472 3.911 20 30 EHEDMO N#C[C@H]1CC[N@@H+]([C@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173715601 1132135119 /nfs/dbraw/zinc/13/51/19/1132135119.db2.gz VOPVDWJDFYZCJR-NQIIRXRSSA-N 1 1 332.447 3.968 20 30 EHEDMO N#C[C@H]1CC[N@H+]([C@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173715601 1132135120 /nfs/dbraw/zinc/13/51/20/1132135120.db2.gz VOPVDWJDFYZCJR-NQIIRXRSSA-N 1 1 332.447 3.968 20 30 EHEDMO COC(=O)c1sc(SC)c(C#N)c1Nc1ccc2[nH+]ccn2c1 ZINC001174277114 1132310266 /nfs/dbraw/zinc/31/02/66/1132310266.db2.gz IWZXQNNBNWQMCI-UHFFFAOYSA-N 1 1 344.421 3.520 20 30 EHEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc(C(F)(F)F)nc3)sc2C1 ZINC001174309034 1132312353 /nfs/dbraw/zinc/31/23/53/1132312353.db2.gz DDJHZGWYUVUCOY-UHFFFAOYSA-N 1 1 338.358 3.765 20 30 EHEDMO C=CCN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(C)C ZINC000745845590 1132323814 /nfs/dbraw/zinc/32/38/14/1132323814.db2.gz BIBUHBAZWQQDJD-DOTOQJQBSA-N 1 1 335.517 3.737 20 30 EHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cn1ccc(C(F)(F)F)n1 ZINC000746056071 1132359268 /nfs/dbraw/zinc/35/92/68/1132359268.db2.gz RPHYZEBCUMGOJD-UHFFFAOYSA-N 1 1 336.361 3.889 20 30 EHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cn1ccc(C(F)(F)F)n1 ZINC000746056071 1132359276 /nfs/dbraw/zinc/35/92/76/1132359276.db2.gz RPHYZEBCUMGOJD-UHFFFAOYSA-N 1 1 336.361 3.889 20 30 EHEDMO C/C=C/C[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC001175052895 1132550468 /nfs/dbraw/zinc/55/04/68/1132550468.db2.gz KBOZFWNDNWSUJT-HSWBROFVSA-N 1 1 331.847 3.828 20 30 EHEDMO C/C=C/C[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC001175052895 1132550476 /nfs/dbraw/zinc/55/04/76/1132550476.db2.gz KBOZFWNDNWSUJT-HSWBROFVSA-N 1 1 331.847 3.828 20 30 EHEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@H](c3c[nH]c4ncccc34)C2)c1 ZINC001175399340 1132659843 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ZINC000775642320 1135381320 /nfs/dbraw/zinc/38/13/20/1135381320.db2.gz YBPWSIYKLIYGQX-UHFFFAOYSA-N 1 1 335.407 3.954 20 30 EHEDMO CCOc1cccc(C[N@@H+](CCO)Cc2c(C)cc(C#N)cc2C)c1 ZINC001195155795 1135383614 /nfs/dbraw/zinc/38/36/14/1135383614.db2.gz QTRNVKZQCPSPEC-UHFFFAOYSA-N 1 1 338.451 3.568 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC001195357750 1135416332 /nfs/dbraw/zinc/41/63/32/1135416332.db2.gz GKPJSOCOGHYTQF-LBPRGKRZSA-N 1 1 345.805 3.982 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC001195357750 1135416334 /nfs/dbraw/zinc/41/63/34/1135416334.db2.gz GKPJSOCOGHYTQF-LBPRGKRZSA-N 1 1 345.805 3.982 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000775658052 1135435397 /nfs/dbraw/zinc/43/53/97/1135435397.db2.gz TZELMQCNUHJWOM-NRFANRHFSA-N 1 1 338.426 3.720 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2CC2CCCC2)c1C#N ZINC001195638434 1135445537 /nfs/dbraw/zinc/44/55/37/1135445537.db2.gz 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Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CCCCCC#N ZINC000808060624 1135610832 /nfs/dbraw/zinc/61/08/32/1135610832.db2.gz CFMBTSDITZHXCO-PKOBYXMFSA-N 1 1 325.456 3.603 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(CN[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000808426464 1135661076 /nfs/dbraw/zinc/66/10/76/1135661076.db2.gz SKVUVXKCORLXCW-YWZLYKJASA-N 1 1 341.430 3.509 20 30 EHEDMO CCc1cc(C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)ccc1C#N ZINC001197294685 1135675002 /nfs/dbraw/zinc/67/50/02/1135675002.db2.gz VKZIOFLAYRDMIS-FQEVSTJZSA-N 1 1 339.483 3.505 20 30 EHEDMO C[N@@H+]1CCc2c(C#N)c(NC(=S)Nc3cccc(F)c3)sc2C1 ZINC001197609764 1135708150 /nfs/dbraw/zinc/70/81/50/1135708150.db2.gz CFFPGRNKRXDZIJ-UHFFFAOYSA-N 1 1 346.456 3.556 20 30 EHEDMO C[N@H+]1CCc2c(C#N)c(NC(=S)Nc3cccc(F)c3)sc2C1 ZINC001197609764 1135708154 /nfs/dbraw/zinc/70/81/54/1135708154.db2.gz CFFPGRNKRXDZIJ-UHFFFAOYSA-N 1 1 346.456 3.556 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2C(C)C)cc1C ZINC000747528561 1135740331 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C#Cc1ccc(C[N@@H+](CCC)CC(=O)Nc2ccccc2OC)cc1 ZINC000809541097 1135849238 /nfs/dbraw/zinc/84/92/38/1135849238.db2.gz FANXGPAOKXJKBZ-UHFFFAOYSA-N 1 1 336.435 3.527 20 30 EHEDMO C#C[C@H]([NH2+][C@H](C)Cc1cccc(OC)n1)c1ccc(Cl)cc1F ZINC000809699530 1135869137 /nfs/dbraw/zinc/86/91/37/1135869137.db2.gz SPDNKXPKWUPNBJ-PXAZEXFGSA-N 1 1 332.806 3.778 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](CCN(C)C)CC2CCCCC2)cc1 ZINC000809737254 1135882440 /nfs/dbraw/zinc/88/24/40/1135882440.db2.gz SLKMYWRVRRYTMA-GOSISDBHSA-N 1 1 343.515 3.921 20 30 EHEDMO C[C@H](C#N)Oc1ccc(CN(CC[NH+](C)C)CC2CCCCC2)cc1 ZINC000809737254 1135882443 /nfs/dbraw/zinc/88/24/43/1135882443.db2.gz SLKMYWRVRRYTMA-GOSISDBHSA-N 1 1 343.515 3.921 20 30 EHEDMO CCc1cc(NC(=O)c2c[nH+]ccc2N2CCCC2)cc(CC)c1C#N ZINC001199370190 1135901174 /nfs/dbraw/zinc/90/11/74/1135901174.db2.gz DYGXLMTVGBTFDS-UHFFFAOYSA-N 1 1 348.450 3.931 20 30 EHEDMO CN(C[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000747620248 1135985443 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CCCCCCC[N@H+]1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC001201777224 1136065586 /nfs/dbraw/zinc/06/55/86/1136065586.db2.gz UCCOIHAXFLOGRH-WOJBJXKFSA-N 1 1 332.488 3.517 20 30 EHEDMO CCCCCCCCCC[N@@H+]1CCn2c(Br)nnc2C1 ZINC001201874820 1136071890 /nfs/dbraw/zinc/07/18/90/1136071890.db2.gz HXQKVNPUPGTEQM-UHFFFAOYSA-N 1 1 343.313 3.997 20 30 EHEDMO CCCCCCCCCC[N@H+]1CCn2c(Br)nnc2C1 ZINC001201874820 1136071893 /nfs/dbraw/zinc/07/18/93/1136071893.db2.gz HXQKVNPUPGTEQM-UHFFFAOYSA-N 1 1 343.313 3.997 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)c1ccc(Cl)cc1 ZINC000811516343 1136104663 /nfs/dbraw/zinc/10/46/63/1136104663.db2.gz LZBAETRSASLONR-GOSISDBHSA-N 1 1 338.838 3.713 20 30 EHEDMO C[C@@H]1C(N=Nc2ccc3c(cc[nH]c3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000811648724 1136117240 /nfs/dbraw/zinc/11/72/40/1136117240.db2.gz XLXJNOMLSUNALS-OAHLLOKOSA-N 1 1 346.434 3.590 20 30 EHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811739944 1136133519 /nfs/dbraw/zinc/13/35/19/1136133519.db2.gz QKULVRIDLJKORI-IBGZPJMESA-N 1 1 339.483 3.621 20 30 EHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811739944 1136133520 /nfs/dbraw/zinc/13/35/20/1136133520.db2.gz QKULVRIDLJKORI-IBGZPJMESA-N 1 1 339.483 3.621 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@H+](C(C)C)[C@H]1CCOC1 ZINC000812292028 1136192301 /nfs/dbraw/zinc/19/23/01/1136192301.db2.gz UVIXVULPMOOQHC-HNNXBMFYSA-N 1 1 331.485 3.771 20 30 EHEDMO N#CC1(CC(=O)OC[C@@H]2CC[N@H+]2Cc2ccccc2)CCCCC1 ZINC000851469959 1136382636 /nfs/dbraw/zinc/38/26/36/1136382636.db2.gz NTJYCDKDCUGAHP-SFHVURJKSA-N 1 1 326.440 3.668 20 30 EHEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000851860674 1136413985 /nfs/dbraw/zinc/41/39/85/1136413985.db2.gz KHZKIGGMUHZDCQ-RTWAWAEBSA-N 1 1 338.426 3.828 20 30 EHEDMO C[C@@H](CC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1)OCc1ccccc1 ZINC000852331912 1136450171 /nfs/dbraw/zinc/45/01/71/1136450171.db2.gz NBHAZGUARWXOGA-UGKGYDQZSA-N 1 1 349.478 3.934 20 30 EHEDMO C[C@@H](CC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1)OCc1ccccc1 ZINC000852331912 1136450174 /nfs/dbraw/zinc/45/01/74/1136450174.db2.gz NBHAZGUARWXOGA-UGKGYDQZSA-N 1 1 349.478 3.934 20 30 EHEDMO C[C@H]1C(=Nn2cc(Br)cn2)CCC[N@H+]1Cc1ccccc1 ZINC000814884113 1136524426 /nfs/dbraw/zinc/52/44/26/1136524426.db2.gz CKOYNELGTNTZDP-ZDUSSCGKSA-N 1 1 347.260 3.534 20 30 EHEDMO C[C@H]1C(=Nn2cc(Br)cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000814884113 1136524431 /nfs/dbraw/zinc/52/44/31/1136524431.db2.gz CKOYNELGTNTZDP-ZDUSSCGKSA-N 1 1 347.260 3.534 20 30 EHEDMO C[C@@H]1C(=Nn2cc(Br)cn2)CCC[N@H+]1Cc1ccccc1 ZINC000814884111 1136524686 /nfs/dbraw/zinc/52/46/86/1136524686.db2.gz CKOYNELGTNTZDP-CYBMUJFWSA-N 1 1 347.260 3.534 20 30 EHEDMO C[C@@H]1C(=Nn2cc(Br)cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000814884111 1136524691 /nfs/dbraw/zinc/52/46/91/1136524691.db2.gz CKOYNELGTNTZDP-CYBMUJFWSA-N 1 1 347.260 3.534 20 30 EHEDMO Cc1cc(C(F)(F)F)cc(N2CCO[C@H](c3cccc(C#N)c3)C2)[nH+]1 ZINC000853460505 1136534661 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EHEDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000593054213 1032686739 /nfs/dbraw/zinc/68/67/39/1032686739.db2.gz RKVBIACHCZTGGX-OAHLLOKOSA-N 1 1 337.261 3.710 20 30 EHEDMO C[C@@]1(NC(=O)CC2(C#N)CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000597824255 1032687272 /nfs/dbraw/zinc/68/72/72/1032687272.db2.gz SFGVDCYZXGFTRU-HXUWFJFHSA-N 1 1 339.483 3.631 20 30 EHEDMO C=CCC[C@H](O)C[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549187202 1017558755 /nfs/dbraw/zinc/55/87/55/1017558755.db2.gz IIGFSNAYCNVBCG-JKSUJKDBSA-N 1 1 331.353 3.903 20 30 EHEDMO N#Cc1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)ccc1F ZINC000177509118 1017680967 /nfs/dbraw/zinc/68/09/67/1017680967.db2.gz IVOABWCVVUCRFZ-INIZCTEOSA-N 1 1 337.398 3.548 20 30 EHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000122369259 1017753472 /nfs/dbraw/zinc/75/34/72/1017753472.db2.gz BXNNWGKOGCOJMD-XJKSGUPXSA-N 1 1 349.500 3.887 20 30 EHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000122369259 1017753488 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C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](Cc3ccccc3C#N)CC2)n1 ZINC000593077174 1032772681 /nfs/dbraw/zinc/77/26/81/1032772681.db2.gz OHXZQIVDELAMHX-KDOFPFPSSA-N 1 1 336.439 3.519 20 30 EHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3ccc(O)cc3)o2)cc1 ZINC000610390119 1018703753 /nfs/dbraw/zinc/70/37/53/1018703753.db2.gz PXKZBVLYYDTHAJ-GOSISDBHSA-N 1 1 346.390 3.651 20 30 EHEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3ccc(O)cc3)o2)cc1 ZINC000610390119 1018703759 /nfs/dbraw/zinc/70/37/59/1018703759.db2.gz PXKZBVLYYDTHAJ-GOSISDBHSA-N 1 1 346.390 3.651 20 30 EHEDMO C=CC[N@H+](CC(=O)N(C)CC1CCCCC1)Cc1ccc(OC)cc1 ZINC000614354758 1018835766 /nfs/dbraw/zinc/83/57/66/1018835766.db2.gz COUMAFRFRNMRLK-UHFFFAOYSA-N 1 1 344.499 3.722 20 30 EHEDMO C=CC[N@@H+](CC(=O)N(C)CC1CCCCC1)Cc1ccc(OC)cc1 ZINC000614354758 1018835784 /nfs/dbraw/zinc/83/57/84/1018835784.db2.gz COUMAFRFRNMRLK-UHFFFAOYSA-N 1 1 344.499 3.722 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000614402361 1018976102 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/nfs/dbraw/zinc/89/47/92/1032894792.db2.gz GRYUUWZRDFEAMI-BBRMVZONSA-N 1 1 337.261 3.762 20 30 EHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc(C#N)c1 ZINC000610475824 1020407908 /nfs/dbraw/zinc/40/79/08/1020407908.db2.gz YVKPGIHUDVPWLN-KRWDZBQOSA-N 1 1 348.450 3.687 20 30 EHEDMO C[C@H](C#N)N(C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)C1CC1 ZINC000598128832 1032941485 /nfs/dbraw/zinc/94/14/85/1032941485.db2.gz CNJBEUJURNJPCM-QGZVFWFLSA-N 1 1 347.462 3.835 20 30 EHEDMO C=CCOc1ccc(C[NH2+]CCN2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC000341230404 1021135681 /nfs/dbraw/zinc/13/56/81/1021135681.db2.gz SHUSVNCTJUCTGE-IRXDYDNUSA-N 1 1 332.488 3.613 20 30 EHEDMO C[C@@H](CCC#N)C[NH2+]Cc1ccccc1CN(C)Cc1ccco1 ZINC000602552118 1032967171 /nfs/dbraw/zinc/96/71/71/1032967171.db2.gz SQVRSFJCFXKYMU-KRWDZBQOSA-N 1 1 325.456 3.941 20 30 EHEDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439448165 1021450392 /nfs/dbraw/zinc/45/03/92/1021450392.db2.gz SIJYWVQTBLBOII-WMLDXEAASA-N 1 1 347.890 3.728 20 30 EHEDMO N#Cc1ccnc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1Cl ZINC000557688771 1021552996 /nfs/dbraw/zinc/55/29/96/1021552996.db2.gz VUGHMYOGMDPPIO-AWEZNQCLSA-N 1 1 341.846 3.523 20 30 EHEDMO CC[NH+](CC)CCOC1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000426446403 1021603483 /nfs/dbraw/zinc/60/34/83/1021603483.db2.gz XDHATBHPAWAGRD-UHFFFAOYSA-N 1 1 348.918 3.514 20 30 EHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000426450095 1021618172 /nfs/dbraw/zinc/61/81/72/1021618172.db2.gz XANCKECKIJOKNO-SFHVURJKSA-N 1 1 337.385 3.950 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H](C)Cc1ccsc1 ZINC000426479043 1021684750 /nfs/dbraw/zinc/68/47/50/1021684750.db2.gz HEGASKGNRNQBEJ-OAHLLOKOSA-N 1 1 341.480 3.901 20 30 EHEDMO Cc1cc(Cl)cc(C)c1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000506689471 1021734507 /nfs/dbraw/zinc/73/45/07/1021734507.db2.gz NFNLNUKXLKIVRH-UHFFFAOYSA-N 1 1 340.858 3.546 20 30 EHEDMO COc1ccc(C[N@@H+]2C[C@@H](C)OCC23CCC3)cc1OCCCC#N ZINC000593680195 1033004445 /nfs/dbraw/zinc/00/44/45/1033004445.db2.gz SVKTUXLNQIZUKY-MRXNPFEDSA-N 1 1 344.455 3.521 20 30 EHEDMO COc1ccc(C[N@H+]2C[C@@H](C)OCC23CCC3)cc1OCCCC#N ZINC000593680195 1033004462 /nfs/dbraw/zinc/00/44/62/1033004462.db2.gz SVKTUXLNQIZUKY-MRXNPFEDSA-N 1 1 344.455 3.521 20 30 EHEDMO C[N@@H+](Cc1cc(C#N)cs1)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000897625817 1033012087 /nfs/dbraw/zinc/01/20/87/1033012087.db2.gz OXTBKTVHKHEKMM-SFHVURJKSA-N 1 1 349.500 3.699 20 30 EHEDMO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000516955950 1021892503 /nfs/dbraw/zinc/89/25/03/1021892503.db2.gz SVLGBHKXLXYJRH-OALUTQOASA-N 1 1 339.483 3.597 20 30 EHEDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000520059102 1021899054 /nfs/dbraw/zinc/89/90/54/1021899054.db2.gz JKLADNHFXQYSBF-HNNXBMFYSA-N 1 1 339.395 3.928 20 30 EHEDMO C=CCOc1cccc(C[N@@H+](C)CC(=O)Nc2ccccc2CC)c1 ZINC000506805486 1022044890 /nfs/dbraw/zinc/04/48/90/1022044890.db2.gz HZENNGIMBAVNPG-UHFFFAOYSA-N 1 1 338.451 3.884 20 30 EHEDMO C=CCOc1cccc(C[N@H+](C)CC(=O)Nc2ccccc2CC)c1 ZINC000506805486 1022044905 /nfs/dbraw/zinc/04/49/05/1022044905.db2.gz HZENNGIMBAVNPG-UHFFFAOYSA-N 1 1 338.451 3.884 20 30 EHEDMO Cc1cc(C#N)cc(NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000341529040 1022088607 /nfs/dbraw/zinc/08/86/07/1022088607.db2.gz HFGIFWHHKCXZFZ-MRXNPFEDSA-N 1 1 334.467 3.528 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCc3c(cccc3OC)C2)cc(OC)c1O ZINC000341529297 1022091535 /nfs/dbraw/zinc/09/15/35/1022091535.db2.gz LCRRSVPLYAKQKX-UHFFFAOYSA-N 1 1 339.435 3.696 20 30 EHEDMO C=CCc1cc(C[N@@H+]2CCc3c(cccc3OC)C2)cc(OC)c1O ZINC000341529297 1022091550 /nfs/dbraw/zinc/09/15/50/1022091550.db2.gz LCRRSVPLYAKQKX-UHFFFAOYSA-N 1 1 339.435 3.696 20 30 EHEDMO CC(C)[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccc(F)cc1 ZINC000506833420 1022117228 /nfs/dbraw/zinc/11/72/28/1022117228.db2.gz RNTMTZIRYUTXBI-UHFFFAOYSA-N 1 1 345.462 3.721 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)nc1 ZINC000574336684 1033046343 /nfs/dbraw/zinc/04/63/43/1033046343.db2.gz WMOLXMIVBYBBGY-HNNXBMFYSA-N 1 1 334.448 3.943 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000438043356 1022344047 /nfs/dbraw/zinc/34/40/47/1022344047.db2.gz UKWITRRNGVJANT-RRFJBIMHSA-N 1 1 346.500 3.685 20 30 EHEDMO OCC[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCc2ccccc21 ZINC000438126843 1022407490 /nfs/dbraw/zinc/40/74/90/1022407490.db2.gz ZNTRJCYILBINCN-HXUWFJFHSA-N 1 1 325.839 3.673 20 30 EHEDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc(-c2ccccc2Cl)on1 ZINC000328701562 1022469713 /nfs/dbraw/zinc/46/97/13/1022469713.db2.gz WSNHOUDFMQYJLC-LLVKDONJSA-N 1 1 331.803 3.536 20 30 EHEDMO COc1ccc2occ(C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)c2c1 ZINC000328712383 1022474564 /nfs/dbraw/zinc/47/45/64/1022474564.db2.gz NKGJKSZZJSOKNK-ZDUSSCGKSA-N 1 1 328.412 3.763 20 30 EHEDMO CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000328819497 1022496325 /nfs/dbraw/zinc/49/63/25/1022496325.db2.gz HJOKQICSKKHTJH-RDJZCZTQSA-N 1 1 346.471 3.810 20 30 EHEDMO Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000328867765 1022521441 /nfs/dbraw/zinc/52/14/41/1022521441.db2.gz OLDGMWMNXACGSH-IAGOWNOFSA-N 1 1 338.455 3.625 20 30 EHEDMO CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1C(C)C ZINC000330778559 1022673491 /nfs/dbraw/zinc/67/34/91/1022673491.db2.gz BPJFVMIWIQLVAQ-LBPRGKRZSA-N 1 1 331.460 3.604 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000330887261 1022693650 /nfs/dbraw/zinc/69/36/50/1022693650.db2.gz HFDDQQUMQRIKGX-WDMOLILDSA-N 1 1 340.254 3.547 20 30 EHEDMO CC[N@H+](CCCN[C@@H](C)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000602697748 1033078074 /nfs/dbraw/zinc/07/80/74/1033078074.db2.gz HYXUNAZUZWEXCM-SFHVURJKSA-N 1 1 335.536 3.720 20 30 EHEDMO CC[N@@H+](CCCN[C@@H](C)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000602697748 1033078085 /nfs/dbraw/zinc/07/80/85/1033078085.db2.gz HYXUNAZUZWEXCM-SFHVURJKSA-N 1 1 335.536 3.720 20 30 EHEDMO CCC(=O)c1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000331225652 1022761486 /nfs/dbraw/zinc/76/14/86/1022761486.db2.gz XMQAJZACMRZHTR-RHSMWYFYSA-N 1 1 331.460 3.629 20 30 EHEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000510633329 1022799678 /nfs/dbraw/zinc/79/96/78/1022799678.db2.gz JZKKIOONTOQPPL-VXKWHMMOSA-N 1 1 348.446 3.891 20 30 EHEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000510633329 1022799683 /nfs/dbraw/zinc/79/96/83/1022799683.db2.gz JZKKIOONTOQPPL-VXKWHMMOSA-N 1 1 348.446 3.891 20 30 EHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(OC)cc(OC)c1 ZINC000510641771 1022813507 /nfs/dbraw/zinc/81/35/07/1022813507.db2.gz ULVVEHLTNHMGFQ-UHFFFAOYSA-N 1 1 327.424 3.901 20 30 EHEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000276777977 1022822898 /nfs/dbraw/zinc/82/28/98/1022822898.db2.gz PVEMWALEZLNWDA-IEBWSBKVSA-N 1 1 326.484 3.760 20 30 EHEDMO Cc1ccccc1[C@H]1C[N@H+](CCOc2ccccc2C#N)[C@H](C)CO1 ZINC000441447546 1022870461 /nfs/dbraw/zinc/87/04/61/1022870461.db2.gz DPTSCYJYAFBJLY-DYESRHJHSA-N 1 1 336.435 3.708 20 30 EHEDMO Cc1ccccc1[C@H]1C[N@@H+](CCOc2ccccc2C#N)[C@H](C)CO1 ZINC000441447546 1022870478 /nfs/dbraw/zinc/87/04/78/1022870478.db2.gz DPTSCYJYAFBJLY-DYESRHJHSA-N 1 1 336.435 3.708 20 30 EHEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)n2)c2ccccc21 ZINC000602713571 1033100359 /nfs/dbraw/zinc/10/03/59/1033100359.db2.gz VZRGTRGRBJVUMM-MOPGFXCFSA-N 1 1 349.434 3.613 20 30 EHEDMO Cc1nsc(NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1C#N ZINC000341743583 1023229449 /nfs/dbraw/zinc/22/94/49/1023229449.db2.gz LMNVOSRKTSOHHK-UHFFFAOYSA-N 1 1 326.469 3.572 20 30 EHEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]2CCCC[C@@H]12 ZINC000248414736 1023259974 /nfs/dbraw/zinc/25/99/74/1023259974.db2.gz HHFDMEJFHVARLV-PVUWLOKVSA-N 1 1 331.847 3.661 20 30 EHEDMO CC#CC[NH2+][C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000535661978 1023286955 /nfs/dbraw/zinc/28/69/55/1023286955.db2.gz LSCSIHNIJNWRPH-SFHVURJKSA-N 1 1 342.826 3.641 20 30 EHEDMO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000449737670 1033135860 /nfs/dbraw/zinc/13/58/60/1033135860.db2.gz ZNCGFDFLVAJMAW-LJQANCHMSA-N 1 1 334.398 3.991 20 30 EHEDMO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000449737670 1033135871 /nfs/dbraw/zinc/13/58/71/1033135871.db2.gz ZNCGFDFLVAJMAW-LJQANCHMSA-N 1 1 334.398 3.991 20 30 EHEDMO N#Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)s1 ZINC000276989953 1023671104 /nfs/dbraw/zinc/67/11/04/1023671104.db2.gz GRGFCTSPJCFBRB-UHFFFAOYSA-N 1 1 330.428 3.940 20 30 EHEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC=C(c4ccccc4)C3)o2)c1 ZINC000341979339 1023740287 /nfs/dbraw/zinc/74/02/87/1023740287.db2.gz OCUYYOTYBYVKDB-UHFFFAOYSA-N 1 1 342.402 3.898 20 30 EHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC=C(c4ccccc4)C3)o2)c1 ZINC000341979339 1023740294 /nfs/dbraw/zinc/74/02/94/1023740294.db2.gz OCUYYOTYBYVKDB-UHFFFAOYSA-N 1 1 342.402 3.898 20 30 EHEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC2(CC#N)CC2)[C@@H]2CCCC[C@@H]12 ZINC000602786353 1033159385 /nfs/dbraw/zinc/15/93/85/1033159385.db2.gz DWSUKWJDBNUEHO-LTFXXXRZSA-N 1 1 345.531 3.864 20 30 EHEDMO N#CCC1(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)CC1 ZINC000602788704 1033162180 /nfs/dbraw/zinc/16/21/80/1033162180.db2.gz SYRLYYPPMKFNCJ-OAHLLOKOSA-N 1 1 340.402 3.749 20 30 EHEDMO COc1ccccc1[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000610944735 1023892643 /nfs/dbraw/zinc/89/26/43/1023892643.db2.gz QUFGVQZRPZCBNT-LJQANCHMSA-N 1 1 349.434 3.733 20 30 EHEDMO COc1ccccc1[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000610944735 1023892649 /nfs/dbraw/zinc/89/26/49/1023892649.db2.gz QUFGVQZRPZCBNT-LJQANCHMSA-N 1 1 349.434 3.733 20 30 EHEDMO CC(C)C[C@@H]1CCCCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478001902 1023928785 /nfs/dbraw/zinc/92/87/85/1023928785.db2.gz LKVJSIHKQBYBQY-SFHVURJKSA-N 1 1 348.512 3.623 20 30 EHEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000142767942 1024050584 /nfs/dbraw/zinc/05/05/84/1024050584.db2.gz NUOQQTBFHRZNAV-LAUBAEHRSA-N 1 1 349.478 3.985 20 30 EHEDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1OC ZINC000428315371 1024171404 /nfs/dbraw/zinc/17/14/04/1024171404.db2.gz ZUHYAVWKHVYZFP-CYBMUJFWSA-N 1 1 328.387 3.955 20 30 EHEDMO Cc1cc([NH+]2CCCC2)ccc1NCc1cnc2ccc(C#N)cn12 ZINC000092117398 1024181065 /nfs/dbraw/zinc/18/10/65/1024181065.db2.gz NNWXPVGZDIEWEV-UHFFFAOYSA-N 1 1 331.423 3.727 20 30 EHEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H]2CCC(=O)c3cccn32)C1 ZINC000329842676 1024219693 /nfs/dbraw/zinc/21/96/93/1024219693.db2.gz KLYAGZHUYWNHJW-HLLBOEOZSA-N 1 1 345.487 3.719 20 30 EHEDMO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000329951963 1024262400 /nfs/dbraw/zinc/26/24/00/1024262400.db2.gz MRYGSCVYEPWSGV-LKCSHLFESA-N 1 1 335.492 3.792 20 30 EHEDMO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000329951963 1024262414 /nfs/dbraw/zinc/26/24/14/1024262414.db2.gz MRYGSCVYEPWSGV-LKCSHLFESA-N 1 1 335.492 3.792 20 30 EHEDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCCc2c(O)cccc21 ZINC000330018104 1024289968 /nfs/dbraw/zinc/28/99/68/1024289968.db2.gz SGGUKEBLCWHLBP-KDOFPFPSSA-N 1 1 328.456 3.786 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000330020474 1024292280 /nfs/dbraw/zinc/29/22/80/1024292280.db2.gz AGTAESRKBOQTOT-BETUJISGSA-N 1 1 332.448 3.546 20 30 EHEDMO N#CCC1(CN2CC[N@H+](CC3(CC#N)CC3)C[C@@H]2c2ccccc2)CC1 ZINC000602839233 1033200183 /nfs/dbraw/zinc/20/01/83/1033200183.db2.gz WRHPQRAIHSMWFC-HXUWFJFHSA-N 1 1 348.494 3.733 20 30 EHEDMO N#CCC1(CN2CC[N@@H+](CC3(CC#N)CC3)C[C@@H]2c2ccccc2)CC1 ZINC000602839233 1033200200 /nfs/dbraw/zinc/20/02/00/1033200200.db2.gz WRHPQRAIHSMWFC-HXUWFJFHSA-N 1 1 348.494 3.733 20 30 EHEDMO N#CCC1(CN2CC[N@H+](CC3(CC#N)CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602839233 1033200205 /nfs/dbraw/zinc/20/02/05/1033200205.db2.gz WRHPQRAIHSMWFC-HXUWFJFHSA-N 1 1 348.494 3.733 20 30 EHEDMO N#CCC1(CN2CC[N@@H+](CC3(CC#N)CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602839233 1033200217 /nfs/dbraw/zinc/20/02/17/1033200217.db2.gz WRHPQRAIHSMWFC-HXUWFJFHSA-N 1 1 348.494 3.733 20 30 EHEDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000330090332 1024315465 /nfs/dbraw/zinc/31/54/65/1024315465.db2.gz PHJKDAOZFCFZHW-INIZCTEOSA-N 1 1 330.476 3.577 20 30 EHEDMO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000330090332 1024315483 /nfs/dbraw/zinc/31/54/83/1024315483.db2.gz PHJKDAOZFCFZHW-INIZCTEOSA-N 1 1 330.476 3.577 20 30 EHEDMO CC1(C)CCC[N@@H+](CCNC(=O)C2CCC(NC(=O)C3CC3)CC2)C1 ZINC000330094037 1024316547 /nfs/dbraw/zinc/31/65/47/1024316547.db2.gz SGWTURNETRXFFD-UHFFFAOYSA-N 1 1 349.519 3.990 20 30 EHEDMO COc1cccc(C[NH2+]Cc2ccc(C#N)cc2F)c1OC(C)C ZINC000237218373 1024379386 /nfs/dbraw/zinc/37/93/86/1024379386.db2.gz RKLNBUVBZDSCLB-UHFFFAOYSA-N 1 1 328.387 3.783 20 30 EHEDMO CCCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000071817977 1024463333 /nfs/dbraw/zinc/46/33/33/1024463333.db2.gz RYLOHXOQQQMQEV-CYBMUJFWSA-N 1 1 333.501 3.805 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCCc1ccccc1 ZINC000533880912 1024509696 /nfs/dbraw/zinc/50/96/96/1024509696.db2.gz NRMVHIDOJDIGQQ-LJQANCHMSA-N 1 1 349.478 3.886 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC(C)(C)C1 ZINC000434985446 1024541024 /nfs/dbraw/zinc/54/10/24/1024541024.db2.gz AUKNOPLBYNETDX-MRXNPFEDSA-N 1 1 337.471 3.727 20 30 EHEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1CC=CCC1 ZINC000434987267 1024543247 /nfs/dbraw/zinc/54/32/47/1024543247.db2.gz MCSMWBYXTDHFRL-KRWDZBQOSA-N 1 1 335.455 3.647 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+](CCO)C2CCCCC2)ccc1OC ZINC000434993090 1024548017 /nfs/dbraw/zinc/54/80/17/1024548017.db2.gz WWRHVOLWGJSRPB-UHFFFAOYSA-N 1 1 333.472 3.777 20 30 EHEDMO CCC[C@]1(C)CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000435025898 1024567725 /nfs/dbraw/zinc/56/77/25/1024567725.db2.gz KDQMGJYOZZBKAR-MAUKXSAKSA-N 1 1 331.485 3.627 20 30 EHEDMO CCC[C@]1(C)CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000435025898 1024567734 /nfs/dbraw/zinc/56/77/34/1024567734.db2.gz KDQMGJYOZZBKAR-MAUKXSAKSA-N 1 1 331.485 3.627 20 30 EHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000435049752 1024579804 /nfs/dbraw/zinc/57/98/04/1024579804.db2.gz PBVAVWFPKMVLFK-PZJWPPBQSA-N 1 1 348.446 3.727 20 30 EHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000435049752 1024579813 /nfs/dbraw/zinc/57/98/13/1024579813.db2.gz PBVAVWFPKMVLFK-PZJWPPBQSA-N 1 1 348.446 3.727 20 30 EHEDMO C[C@@H](Nc1ncc(C#N)cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485142546 1024653451 /nfs/dbraw/zinc/65/34/51/1024653451.db2.gz BJEOJDJMKXLVSJ-RHSMWYFYSA-N 1 1 340.858 3.929 20 30 EHEDMO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[NH+]1CC(C)C1 ZINC000514795667 1024748693 /nfs/dbraw/zinc/74/86/93/1024748693.db2.gz AVYBHBBDFJKDPZ-HNNXBMFYSA-N 1 1 335.407 3.629 20 30 EHEDMO CCc1ccc([C@@H]2C[N@H+](CCCC3(C#N)CCOCC3)CCO2)cc1 ZINC000281179924 1024749975 /nfs/dbraw/zinc/74/99/75/1024749975.db2.gz ATZHCIXVFGFHSL-FQEVSTJZSA-N 1 1 342.483 3.723 20 30 EHEDMO CCc1ccc([C@@H]2C[N@@H+](CCCC3(C#N)CCOCC3)CCO2)cc1 ZINC000281179924 1024749987 /nfs/dbraw/zinc/74/99/87/1024749987.db2.gz ATZHCIXVFGFHSL-FQEVSTJZSA-N 1 1 342.483 3.723 20 30 EHEDMO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1ncc(-c2ccccc2)o1 ZINC000184847119 1024774258 /nfs/dbraw/zinc/77/42/58/1024774258.db2.gz BQWQSWFZMQIPRP-HNNXBMFYSA-N 1 1 333.391 3.943 20 30 EHEDMO CCC#CC(=O)N1C[C@@H]2CC[N@@H+](C[C@H](CC)CCCC)CC[C@@H]2C1 ZINC001269949039 1024848598 /nfs/dbraw/zinc/84/85/98/1024848598.db2.gz DISQQYCXYIVPAM-AQNXPRMDSA-N 1 1 332.532 3.787 20 30 EHEDMO Cc1csc(C[C@H]2CCC[N@H+](Cc3cc(C#N)cnc3Cl)C2)n1 ZINC000895821834 1024874974 /nfs/dbraw/zinc/87/49/74/1024874974.db2.gz FIVVDIBGDOWRPL-CYBMUJFWSA-N 1 1 346.887 3.826 20 30 EHEDMO Cc1csc(C[C@H]2CCC[N@@H+](Cc3cc(C#N)cnc3Cl)C2)n1 ZINC000895821834 1024874984 /nfs/dbraw/zinc/87/49/84/1024874984.db2.gz FIVVDIBGDOWRPL-CYBMUJFWSA-N 1 1 346.887 3.826 20 30 EHEDMO C=CCC1(O)CC[NH+](Cc2cccc(OCC)c2OC(F)F)CC1 ZINC000895836063 1024902874 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1025254734 /nfs/dbraw/zinc/25/47/34/1025254734.db2.gz KOCPIPVJRCGRJG-UHFFFAOYSA-N 1 1 349.478 3.604 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(CCF)CC2)c1C ZINC000602948875 1033273229 /nfs/dbraw/zinc/27/32/29/1033273229.db2.gz FOQMIUWXEIYABX-UHFFFAOYSA-N 1 1 345.462 3.622 20 30 EHEDMO N#CCCn1cc(C(=O)C[N@H+]2CC[C@H](C3CCC3)C2)c2ccccc21 ZINC000665286155 1025333613 /nfs/dbraw/zinc/33/36/13/1025333613.db2.gz GLTWWBNNPWLCAD-KRWDZBQOSA-N 1 1 335.451 3.860 20 30 EHEDMO C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046530141 1033275112 /nfs/dbraw/zinc/27/51/12/1033275112.db2.gz CESGTJNUQXFVPB-OAHLLOKOSA-N 1 1 344.418 3.565 20 30 EHEDMO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046530141 1033275125 /nfs/dbraw/zinc/27/51/25/1033275125.db2.gz CESGTJNUQXFVPB-OAHLLOKOSA-N 1 1 344.418 3.565 20 30 EHEDMO COc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)ccc1C#N ZINC000281665214 1025346264 /nfs/dbraw/zinc/34/62/64/1025346264.db2.gz LBYHWEKRWNNMGK-UHFFFAOYSA-N 1 1 337.467 3.697 20 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Cc1ccccc1[C@@H]([C@@H](C)NCc1ccc(C#N)cc1F)[NH+](C)C ZINC000443002113 1025648258 /nfs/dbraw/zinc/64/82/58/1025648258.db2.gz RZCSZCIBKOEGPF-FOIQADDNSA-N 1 1 325.431 3.787 20 30 EHEDMO CC(=O)Nc1ccc(CC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000329188273 1025651149 /nfs/dbraw/zinc/65/11/49/1025651149.db2.gz RBJUOZASBMJJLV-QGZVFWFLSA-N 1 1 329.444 3.810 20 30 EHEDMO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425530097 1025652150 /nfs/dbraw/zinc/65/21/50/1025652150.db2.gz DMRNXGMBWGVYHB-HNNXBMFYSA-N 1 1 337.423 3.588 20 30 EHEDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425530097 1025652156 /nfs/dbraw/zinc/65/21/56/1025652156.db2.gz DMRNXGMBWGVYHB-HNNXBMFYSA-N 1 1 337.423 3.588 20 30 EHEDMO O=C(C[N@@H+]1CCC[C@@H]1c1cccnc1)N[C@H]1CCOc2ccccc21 ZINC000329232064 1025684502 /nfs/dbraw/zinc/68/45/02/1025684502.db2.gz LBRPQIXXBFSUFO-ZWKOTPCHSA-N 1 1 337.423 3.699 20 30 EHEDMO O=C(C[N@H+]1CCC[C@@H]1c1cccnc1)N[C@H]1CCOc2ccccc21 ZINC000329232064 1025684515 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Cn1cc(C[N@H+](C)Cc2cccc(OCc3ccccc3C#N)c2)cn1 ZINC000119725320 1025746911 /nfs/dbraw/zinc/74/69/11/1025746911.db2.gz DQIKJVGLYBHFPM-UHFFFAOYSA-N 1 1 346.434 3.503 20 30 EHEDMO Cn1cc(C[N@@H+](C)Cc2cccc(OCc3ccccc3C#N)c2)cn1 ZINC000119725320 1025746929 /nfs/dbraw/zinc/74/69/29/1025746929.db2.gz DQIKJVGLYBHFPM-UHFFFAOYSA-N 1 1 346.434 3.503 20 30 EHEDMO C[C@@H]1C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC(=O)N1 ZINC000329312861 1025747994 /nfs/dbraw/zinc/74/79/94/1025747994.db2.gz GODMLXJTFNOWQM-ILXRZTDVSA-N 1 1 349.500 3.672 20 30 EHEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000896641742 1025793826 /nfs/dbraw/zinc/79/38/26/1025793826.db2.gz BRDJQPHPBUWXRX-HKUYNNGSSA-N 1 1 338.476 3.542 20 30 EHEDMO COC[C@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CC1 ZINC000329441136 1025854827 /nfs/dbraw/zinc/85/48/27/1025854827.db2.gz KXYVSVMMIATTAP-AEFFLSMTSA-N 1 1 345.487 3.875 20 30 EHEDMO COc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000611587429 1025876828 /nfs/dbraw/zinc/87/68/28/1025876828.db2.gz BYMSDBFYGMJWPT-PXAZEXFGSA-N 1 1 326.371 3.880 20 30 EHEDMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC(=O)N1 ZINC000329542438 1025982905 /nfs/dbraw/zinc/98/29/05/1025982905.db2.gz DWOUVBPBKAEOQJ-ZWKOTPCHSA-N 1 1 343.471 3.754 20 30 EHEDMO CCC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)CC1CC1 ZINC000096970298 1026130955 /nfs/dbraw/zinc/13/09/55/1026130955.db2.gz DDIHVLLSVOPIBR-UHFFFAOYSA-N 1 1 345.512 3.949 20 30 EHEDMO O[C@@H]1CC[C@@H]2C[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)CC[C@H]2C1 ZINC000451692209 1026234528 /nfs/dbraw/zinc/23/45/28/1026234528.db2.gz DSDVOHWHBOPUBK-LZLYRXPVSA-N 1 1 337.385 3.540 20 30 EHEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)N1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000187762271 1026314927 /nfs/dbraw/zinc/31/49/27/1026314927.db2.gz GYYOYYQWVURWJX-KSSFIOAISA-N 1 1 336.426 3.819 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000186251007 1026347605 /nfs/dbraw/zinc/34/76/05/1026347605.db2.gz LQOHZIYXZUAENK-LJQANCHMSA-N 1 1 347.462 3.509 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(OCC(=O)OC)cc1 ZINC000475279634 1026430617 /nfs/dbraw/zinc/43/06/17/1026430617.db2.gz LWGKVOXXYPTVJG-UHFFFAOYSA-N 1 1 339.435 3.817 20 30 EHEDMO C=CCC1(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)CCCCC1 ZINC000452188241 1026554850 /nfs/dbraw/zinc/55/48/50/1026554850.db2.gz CCKKDAOYNKYLLY-LJQANCHMSA-N 1 1 342.483 3.718 20 30 EHEDMO Cc1cccc([C@H]2CCCCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000609801307 1026563131 /nfs/dbraw/zinc/56/31/31/1026563131.db2.gz KWRFCUMJEKGVMI-CTNGQTDRSA-N 1 1 341.499 3.967 20 30 EHEDMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2C#Cc2ccccc2)C1 ZINC000531317674 1026803865 /nfs/dbraw/zinc/80/38/65/1026803865.db2.gz GYIVCAIJCDTILI-IBGZPJMESA-N 1 1 347.462 3.550 20 30 EHEDMO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518580 1026928257 /nfs/dbraw/zinc/92/82/57/1026928257.db2.gz AJBYWIUWCVFGRY-IAGOWNOFSA-N 1 1 335.451 3.564 20 30 EHEDMO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046518580 1026928267 /nfs/dbraw/zinc/92/82/67/1026928267.db2.gz AJBYWIUWCVFGRY-IAGOWNOFSA-N 1 1 335.451 3.564 20 30 EHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000054272571 1027041740 /nfs/dbraw/zinc/04/17/40/1027041740.db2.gz PCHHPXGKGHPDDM-LJQANCHMSA-N 1 1 333.378 3.695 20 30 EHEDMO CC[N@@H+](CCCSCC#N)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000074989934 1027094329 /nfs/dbraw/zinc/09/43/29/1027094329.db2.gz QDKJPFRVORIIQG-PKOBYXMFSA-N 1 1 331.529 3.791 20 30 EHEDMO CCN(CCCSCC#N)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000074989934 1027094341 /nfs/dbraw/zinc/09/43/41/1027094341.db2.gz QDKJPFRVORIIQG-PKOBYXMFSA-N 1 1 331.529 3.791 20 30 EHEDMO CCN(CCCSCC#N)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000074989934 1027094355 /nfs/dbraw/zinc/09/43/55/1027094355.db2.gz QDKJPFRVORIIQG-PKOBYXMFSA-N 1 1 331.529 3.791 20 30 EHEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccc(C(=O)OC)cc2)cc1 ZINC000501377665 1027237449 /nfs/dbraw/zinc/23/74/49/1027237449.db2.gz RLCVKPUAXSPNDS-UHFFFAOYSA-N 1 1 325.408 3.670 20 30 EHEDMO COCCC[N@@H+](CCc1ccc(OC)cc1)Cc1cc(C#N)cs1 ZINC000127548226 1027323110 /nfs/dbraw/zinc/32/31/10/1027323110.db2.gz ACCGPCOYFBHXDO-UHFFFAOYSA-N 1 1 344.480 3.710 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)ccc1OC ZINC000342833719 1027550508 /nfs/dbraw/zinc/55/05/08/1027550508.db2.gz AGGILBWKRNHVFO-ZWKOTPCHSA-N 1 1 331.456 3.794 20 30 EHEDMO C=C(C)[C@H]([NH2+]CC(=O)NCc1ccccc1F)c1ccc(F)c(F)c1 ZINC000187769235 1027797335 /nfs/dbraw/zinc/79/73/35/1027797335.db2.gz VMDNGCWVTBJVNA-IBGZPJMESA-N 1 1 348.368 3.627 20 30 EHEDMO C[C@@H]1C[C@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)CC[N@H+]1C ZINC000888221022 1027965034 /nfs/dbraw/zinc/96/50/34/1027965034.db2.gz LZEUHHCFKDYKIF-VXGBXAGGSA-N 1 1 334.489 3.521 20 30 EHEDMO N#Cc1cc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)ccc1F ZINC000468270621 1027965629 /nfs/dbraw/zinc/96/56/29/1027965629.db2.gz OGRDABSSURNYJG-DAXSKMNVSA-N 1 1 335.426 3.528 20 30 EHEDMO CC[C@H](c1ccccc1)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(C)C ZINC000533523255 1028042651 /nfs/dbraw/zinc/04/26/51/1028042651.db2.gz IXRUEYHIVZTITO-CTNGQTDRSA-N 1 1 341.499 3.904 20 30 EHEDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444689802 1028159435 /nfs/dbraw/zinc/15/94/35/1028159435.db2.gz PINGAFDRMXVJAN-PMACEKPBSA-N 1 1 347.506 3.911 20 30 EHEDMO C[C@H]1[C@H](C)[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCN1C ZINC000444689802 1028159447 /nfs/dbraw/zinc/15/94/47/1028159447.db2.gz PINGAFDRMXVJAN-PMACEKPBSA-N 1 1 347.506 3.911 20 30 EHEDMO C[C@H]1[C@H](C)[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCN1C ZINC000444689802 1028159454 /nfs/dbraw/zinc/15/94/54/1028159454.db2.gz PINGAFDRMXVJAN-PMACEKPBSA-N 1 1 347.506 3.911 20 30 EHEDMO N#Cc1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)c(Cl)c1 ZINC000421204835 1028177282 /nfs/dbraw/zinc/17/72/82/1028177282.db2.gz NCDGESJDJOXOJK-UHFFFAOYSA-N 1 1 341.842 3.656 20 30 EHEDMO N#Cc1ccc(C2=CC[N@@H+](CCCOc3cccc(C#N)c3)CC2)cc1 ZINC000502528124 1028292548 /nfs/dbraw/zinc/29/25/48/1028292548.db2.gz JJCIFXJEBOWONP-UHFFFAOYSA-N 1 1 343.430 3.988 20 30 EHEDMO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C(C1CC1)C1CC1 ZINC000195315035 1028299914 /nfs/dbraw/zinc/29/99/14/1028299914.db2.gz YCCPOYRRXKVBPV-UHFFFAOYSA-N 1 1 345.874 3.707 20 30 EHEDMO C=C(CC)CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000455520906 1028321022 /nfs/dbraw/zinc/32/10/22/1028321022.db2.gz JVMNXARPASGUPQ-NRFANRHFSA-N 1 1 341.499 3.650 20 30 EHEDMO C=CC[C@@H]1N(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CCCC1(C)C ZINC000445211600 1028620612 /nfs/dbraw/zinc/62/06/12/1028620612.db2.gz KQFKURFLGYNULF-ROUUACIJSA-N 1 1 335.536 3.741 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246560105 1028657380 /nfs/dbraw/zinc/65/73/80/1028657380.db2.gz KXQACTLRRDQESH-RXVVDRJESA-N 1 1 337.511 3.936 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246560105 1028657393 /nfs/dbraw/zinc/65/73/93/1028657393.db2.gz KXQACTLRRDQESH-RXVVDRJESA-N 1 1 337.511 3.936 20 30 EHEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccccc2)no1 ZINC001211975852 1028727130 /nfs/dbraw/zinc/72/71/30/1028727130.db2.gz RIHMJKSOPFTPIB-SJORKVTESA-N 1 1 329.444 3.815 20 30 EHEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccnc(C)c2)no1 ZINC001211975913 1028730549 /nfs/dbraw/zinc/73/05/49/1028730549.db2.gz UHTMAWVLVLYEIL-IRXDYDNUSA-N 1 1 344.459 3.518 20 30 EHEDMO COc1cc(C[NH2+][C@H](c2ccccc2)c2ccccn2)ccc1C#N ZINC000367092494 1028823211 /nfs/dbraw/zinc/82/32/11/1028823211.db2.gz FNBZWXWSXQQENE-OAQYLSRUSA-N 1 1 329.403 3.841 20 30 EHEDMO C=CCOc1ccccc1C[NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000237299503 1029086758 /nfs/dbraw/zinc/08/67/58/1029086758.db2.gz KXOJBDKANZXBDJ-HNNXBMFYSA-N 1 1 339.435 3.873 20 30 EHEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1C1CCC1)c1cccc(Cl)c1 ZINC000343123609 1029315643 /nfs/dbraw/zinc/31/56/43/1029315643.db2.gz VBDBCNDXBHHGAB-SFHVURJKSA-N 1 1 345.874 3.851 20 30 EHEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)c1C ZINC000078587656 1029392702 /nfs/dbraw/zinc/39/27/02/1029392702.db2.gz AGYNRDOBRLOXSR-LJQANCHMSA-N 1 1 325.456 3.649 20 30 EHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)c1C ZINC000078587656 1029392720 /nfs/dbraw/zinc/39/27/20/1029392720.db2.gz AGYNRDOBRLOXSR-LJQANCHMSA-N 1 1 325.456 3.649 20 30 EHEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000155276768 1029492000 /nfs/dbraw/zinc/49/20/00/1029492000.db2.gz DYYWQRXSWZTMJA-QFIPXVFZSA-N 1 1 342.446 3.617 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)C2CCCCC2)c1 ZINC000015256768 1029504705 /nfs/dbraw/zinc/50/47/05/1029504705.db2.gz ORXVICWFJODWGE-UHFFFAOYSA-N 1 1 327.472 3.815 20 30 EHEDMO C=CCCCCC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000150873739 1029549490 /nfs/dbraw/zinc/54/94/90/1029549490.db2.gz BYRNHSWEXANQPT-UHFFFAOYSA-N 1 1 330.388 3.823 20 30 EHEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H](C)c1c(Cl)cccc1Cl ZINC000729811899 1029560984 /nfs/dbraw/zinc/56/09/84/1029560984.db2.gz FZMLUYSLAHIJSL-OLZOCXBDSA-N 1 1 340.250 3.738 20 30 EHEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000533290804 1029583562 /nfs/dbraw/zinc/58/35/62/1029583562.db2.gz MXNINHXJRNALAQ-IIYDPXPESA-N 1 1 331.847 3.803 20 30 EHEDMO C=CCC[C@H](NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)c1ccccc1 ZINC000246040740 1029593933 /nfs/dbraw/zinc/59/39/33/1029593933.db2.gz XBMVMCHSBRDBOL-SLFFLAALSA-N 1 1 341.499 3.820 20 30 EHEDMO CCN(CC)[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)Cc1ccccc1 ZINC000533312310 1029597967 /nfs/dbraw/zinc/59/79/67/1029597967.db2.gz RYQDOUOBVZCKRY-HXUWFJFHSA-N 1 1 339.458 3.740 20 30 EHEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cccc(C#N)c1 ZINC000343170208 1029603440 /nfs/dbraw/zinc/60/34/40/1029603440.db2.gz FAUFYDJHHQUJKS-KRWDZBQOSA-N 1 1 347.462 3.863 20 30 EHEDMO CC#CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000525120753 1029693312 /nfs/dbraw/zinc/69/33/12/1029693312.db2.gz SMRFTVUVIJNVLQ-IBGZPJMESA-N 1 1 327.449 3.736 20 30 EHEDMO CC#CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000525120753 1029693314 /nfs/dbraw/zinc/69/33/14/1029693314.db2.gz SMRFTVUVIJNVLQ-IBGZPJMESA-N 1 1 327.449 3.736 20 30 EHEDMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000446736390 1029784783 /nfs/dbraw/zinc/78/47/83/1029784783.db2.gz OTTKBJYHRDZRGA-AWEZNQCLSA-N 1 1 345.512 3.949 20 30 EHEDMO CC[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000446736391 1029785213 /nfs/dbraw/zinc/78/52/13/1029785213.db2.gz OTTKBJYHRDZRGA-CQSZACIVSA-N 1 1 345.512 3.949 20 30 EHEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000525328741 1029794621 /nfs/dbraw/zinc/79/46/21/1029794621.db2.gz LEIJKQHSJKRDOF-SFHVURJKSA-N 1 1 346.515 3.986 20 30 EHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000525328741 1029794628 /nfs/dbraw/zinc/79/46/28/1029794628.db2.gz LEIJKQHSJKRDOF-SFHVURJKSA-N 1 1 346.515 3.986 20 30 EHEDMO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000525408352 1029837823 /nfs/dbraw/zinc/83/78/23/1029837823.db2.gz IFVLYQZAYGOJAO-APWZRJJASA-N 1 1 336.435 3.824 20 30 EHEDMO CC[C@H](C[N@@H+](CC)CC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000481746423 1029893307 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CC(C)(C#N)c1ccc(CNc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000594505222 1033406903 /nfs/dbraw/zinc/40/69/03/1033406903.db2.gz QRWYMPXCVXALAI-UHFFFAOYSA-N 1 1 349.478 3.932 20 30 EHEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000063549438 1033446718 /nfs/dbraw/zinc/44/67/18/1033446718.db2.gz NQSMIYRCMHBAES-IBGZPJMESA-N 1 1 337.398 3.863 20 30 EHEDMO CCCNc1ccc(C#N)cc1NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000592768257 1033457325 /nfs/dbraw/zinc/45/73/25/1033457325.db2.gz CDSXWRNLMYUSIW-CQSZACIVSA-N 1 1 339.443 3.729 20 30 EHEDMO N#CC1(CC(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)CCCCC1 ZINC000598806888 1033477047 /nfs/dbraw/zinc/47/70/47/1033477047.db2.gz FSUWEYMSNPYGIN-SFHVURJKSA-N 1 1 337.467 3.862 20 30 EHEDMO CC(C)[N@H+]1CCCC[C@H]1Cn1cc(CC2(C#N)CCCCC2)nn1 ZINC000603254239 1033479008 /nfs/dbraw/zinc/47/90/08/1033479008.db2.gz VLYGCOMVELNZBF-SFHVURJKSA-N 1 1 329.492 3.558 20 30 EHEDMO CC(C)[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000026940580 1033485998 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/nfs/dbraw/zinc/68/94/00/1037689400.db2.gz NBEULFJVHNCSOW-GFCCVEGCSA-N 1 1 325.250 3.674 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000493947611 1037739873 /nfs/dbraw/zinc/73/98/73/1037739873.db2.gz BOKWBXJRYKNNPF-VYDXJSESSA-N 1 1 343.471 3.854 20 30 EHEDMO CC[C@H](C)[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1 ZINC000046171382 1037792573 /nfs/dbraw/zinc/79/25/73/1037792573.db2.gz IZYSKQPAEHTILH-KRWDZBQOSA-N 1 1 327.472 3.630 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)cc1 ZINC000592186525 1037924626 /nfs/dbraw/zinc/92/46/26/1037924626.db2.gz FIXYCQMBSOYPDB-OAQYLSRUSA-N 1 1 343.430 3.890 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)cc1 ZINC000592186525 1037924638 /nfs/dbraw/zinc/92/46/38/1037924638.db2.gz FIXYCQMBSOYPDB-OAQYLSRUSA-N 1 1 343.430 3.890 20 30 EHEDMO CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000183599034 1037956766 /nfs/dbraw/zinc/95/67/66/1037956766.db2.gz MHMVTGUFXJAARL-MRXNPFEDSA-N 1 1 341.480 3.905 20 30 EHEDMO CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000183599034 1037956775 /nfs/dbraw/zinc/95/67/75/1037956775.db2.gz MHMVTGUFXJAARL-MRXNPFEDSA-N 1 1 341.480 3.905 20 30 EHEDMO N#CC[C@]1(O)CC[N@@H+](Cc2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000592524721 1038023493 /nfs/dbraw/zinc/02/34/93/1038023493.db2.gz ZMRXNSLHZCPKHP-QFIPXVFZSA-N 1 1 345.446 3.540 20 30 EHEDMO C[N@H+]1Cc2ccccc2[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000378266839 1038344522 /nfs/dbraw/zinc/34/45/22/1038344522.db2.gz BYXXZNWJVDODTC-CQSZACIVSA-N 1 1 332.329 3.571 20 30 EHEDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000378266839 1038344535 /nfs/dbraw/zinc/34/45/35/1038344535.db2.gz BYXXZNWJVDODTC-CQSZACIVSA-N 1 1 332.329 3.571 20 30 EHEDMO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccccc1C(C)(C)C#N)CC2 ZINC000538942189 1038608464 /nfs/dbraw/zinc/60/84/64/1038608464.db2.gz CYDFEYUZOIGKED-UHFFFAOYSA-N 1 1 348.446 3.833 20 30 EHEDMO COC[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000539325841 1038794738 /nfs/dbraw/zinc/79/47/38/1038794738.db2.gz ZRIBQIZHWRVFFM-GOSISDBHSA-N 1 1 335.781 3.947 20 30 EHEDMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000455921884 1038868314 /nfs/dbraw/zinc/86/83/14/1038868314.db2.gz PZQGHXVXWMIWFA-UHFFFAOYSA-N 1 1 342.487 3.728 20 30 EHEDMO C=CC[C@H](C(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)c1ccccc1 ZINC000554128226 1038924894 /nfs/dbraw/zinc/92/48/94/1038924894.db2.gz FQZAGHHCALENHA-QGZVKYPTSA-N 1 1 326.484 3.535 20 30 EHEDMO C=CCCCCC[N@H+]1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000488222897 1038983059 /nfs/dbraw/zinc/98/30/59/1038983059.db2.gz QAGVZBLCXMSFFE-UHFFFAOYSA-N 1 1 333.472 3.859 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000512402731 1039018175 /nfs/dbraw/zinc/01/81/75/1039018175.db2.gz GOMXGFJYXHWTEG-SJORKVTESA-N 1 1 329.463 3.784 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2coc(-c3cccs3)n2)cc1 ZINC000237497975 1039024345 /nfs/dbraw/zinc/02/43/45/1039024345.db2.gz AQLCOBAUBIHYBN-ZDUSSCGKSA-N 1 1 339.420 3.984 20 30 EHEDMO C=C[C@H]1CCCCN1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000488313222 1039077736 /nfs/dbraw/zinc/07/77/36/1039077736.db2.gz WRTOYWHTLLKBNA-LPHOPBHVSA-N 1 1 343.471 3.652 20 30 EHEDMO C=CCSc1ccccc1C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000485475337 1039138311 /nfs/dbraw/zinc/13/83/11/1039138311.db2.gz BKLRZMMHLBHDHA-MRXNPFEDSA-N 1 1 332.513 3.959 20 30 EHEDMO CCc1ccc([C@H]2CC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)cc1 ZINC000552273322 1039147943 /nfs/dbraw/zinc/14/79/43/1039147943.db2.gz CZULVWWPMJGPFK-IBGZPJMESA-N 1 1 330.435 3.758 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000898516240 1039182554 /nfs/dbraw/zinc/18/25/54/1039182554.db2.gz OOHHTSYPOUPDLH-NZSAHSFTSA-N 1 1 328.456 3.616 20 30 EHEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H](C)C1 ZINC000488724905 1039346516 /nfs/dbraw/zinc/34/65/16/1039346516.db2.gz TYJYQJJLFVRRMH-IGCXYCKISA-N 1 1 337.389 3.744 20 30 EHEDMO CC[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000051532766 1039356785 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342.395 3.800 20 30 EHEDMO C=CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000489052143 1039571799 /nfs/dbraw/zinc/57/17/99/1039571799.db2.gz ZJWMYZOUVZWONM-UXHICEINSA-N 1 1 326.484 3.727 20 30 EHEDMO C=CCn1cccc1C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000489041960 1039580510 /nfs/dbraw/zinc/58/05/10/1039580510.db2.gz OOECGAGLEYLJEL-GOSISDBHSA-N 1 1 343.515 3.791 20 30 EHEDMO C#CCOc1ccc(C[NH2+][C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000236693967 1039699459 /nfs/dbraw/zinc/69/94/59/1039699459.db2.gz BRPMFQLZFPWSGR-QFIPXVFZSA-N 1 1 334.463 3.625 20 30 EHEDMO C=CCC[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C)c1ccccc1 ZINC000893767447 1039703056 /nfs/dbraw/zinc/70/30/56/1039703056.db2.gz IAMSPTJHJXXGLZ-FHWLQOOXSA-N 1 1 327.472 3.572 20 30 EHEDMO C=CCC1(C(=O)NC[C@@H](CC)[N@H+]2CCc3ccccc3C2)CCC1 ZINC000478877580 1039779181 /nfs/dbraw/zinc/77/91/81/1039779181.db2.gz BAFLIVJXUQDWHB-LJQANCHMSA-N 1 1 326.484 3.686 20 30 EHEDMO N#Cc1ccccc1OCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000554845633 1039802193 /nfs/dbraw/zinc/80/21/93/1039802193.db2.gz CUAVOMAMIQYLRV-MRXNPFEDSA-N 1 1 338.373 3.992 20 30 EHEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000554863418 1039877801 /nfs/dbraw/zinc/87/78/01/1039877801.db2.gz RVNFREISXMSNJW-LJQANCHMSA-N 1 1 333.435 3.937 20 30 EHEDMO C=C[C@H]1CCCC[N@H+]1Cc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC000489405492 1039919870 /nfs/dbraw/zinc/91/98/70/1039919870.db2.gz NVOZTJHHMBUYIJ-KRWDZBQOSA-N 1 1 326.396 3.669 20 30 EHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC000489405492 1039919885 /nfs/dbraw/zinc/91/98/85/1039919885.db2.gz NVOZTJHHMBUYIJ-KRWDZBQOSA-N 1 1 326.396 3.669 20 30 EHEDMO N#Cc1cc(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)cs1 ZINC000894023221 1039982033 /nfs/dbraw/zinc/98/20/33/1039982033.db2.gz FGPFZVLUNFFPBS-UHFFFAOYSA-N 1 1 330.428 3.940 20 30 EHEDMO C=CCCC[C@H](C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000907281388 1039996283 /nfs/dbraw/zinc/99/62/83/1039996283.db2.gz HYGZFBLPLFRYQT-XLIONFOSSA-N 1 1 326.484 3.893 20 30 EHEDMO COc1cccc2c1CC[N@@H+](Cc1ccc(C#N)cc1Cl)CC2 ZINC000489502684 1040028527 /nfs/dbraw/zinc/02/85/27/1040028527.db2.gz WZJUZIDUMNCSJP-UHFFFAOYSA-N 1 1 326.827 3.821 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894086630 1040052601 /nfs/dbraw/zinc/05/26/01/1040052601.db2.gz YHUFYAGKIDRUJX-LPHOPBHVSA-N 1 1 332.407 3.540 20 30 EHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894086630 1040052621 /nfs/dbraw/zinc/05/26/21/1040052621.db2.gz YHUFYAGKIDRUJX-LPHOPBHVSA-N 1 1 332.407 3.540 20 30 EHEDMO C=CCC[C@@H](C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1)c1ccccc1 ZINC000489698518 1040143698 /nfs/dbraw/zinc/14/36/98/1040143698.db2.gz KKBFPOXPAJYCIM-HXUWFJFHSA-N 1 1 349.478 3.789 20 30 EHEDMO N#Cc1cc(Cl)ccc1C[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000480898324 1040146919 /nfs/dbraw/zinc/14/69/19/1040146919.db2.gz MMXMBJKSTYIPKV-HXUWFJFHSA-N 1 1 340.854 3.985 20 30 EHEDMO C=CCC(C)(C)CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000489767173 1040199855 /nfs/dbraw/zinc/19/98/55/1040199855.db2.gz MLGSMXZCKQMBLV-CALCHBBNSA-N 1 1 344.499 3.628 20 30 EHEDMO C=CCC(C)(C)CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000489767173 1040199860 /nfs/dbraw/zinc/19/98/60/1040199860.db2.gz MLGSMXZCKQMBLV-CALCHBBNSA-N 1 1 344.499 3.628 20 30 EHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000246086451 1040250282 /nfs/dbraw/zinc/25/02/82/1040250282.db2.gz UNKLJEZLALZJHQ-YJBOKZPZSA-N 1 1 342.487 3.682 20 30 EHEDMO C[C@H](N[C@@H](Cc1ccccc1)C[NH+](C)C)c1ccc(C#N)cc1F ZINC000512617326 1040281574 /nfs/dbraw/zinc/28/15/74/1040281574.db2.gz FGPIUFRCKSDUME-YJBOKZPZSA-N 1 1 325.431 3.521 20 30 EHEDMO C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(C#N)cc1F ZINC000512630599 1040349958 /nfs/dbraw/zinc/34/99/58/1040349958.db2.gz NQHWOGZGFYUWJY-LLVKDONJSA-N 1 1 346.789 3.973 20 30 EHEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000490153298 1040358217 /nfs/dbraw/zinc/35/82/17/1040358217.db2.gz SIOGWYXJZQRTCJ-HXUWFJFHSA-N 1 1 346.434 3.661 20 30 EHEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000490153298 1040358232 /nfs/dbraw/zinc/35/82/32/1040358232.db2.gz SIOGWYXJZQRTCJ-HXUWFJFHSA-N 1 1 346.434 3.661 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000614171412 1040359370 /nfs/dbraw/zinc/35/93/70/1040359370.db2.gz YAKOCGFELFWDHY-FQEVSTJZSA-N 1 1 336.435 3.767 20 30 EHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000614171412 1040359383 /nfs/dbraw/zinc/35/93/83/1040359383.db2.gz YAKOCGFELFWDHY-FQEVSTJZSA-N 1 1 336.435 3.767 20 30 EHEDMO C=C[C@H](CC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)c1ccccc1 ZINC000553783966 1040448503 /nfs/dbraw/zinc/44/85/03/1040448503.db2.gz VOHWIZCUNNNJFS-PNYFIKQUSA-N 1 1 326.484 3.535 20 30 EHEDMO C[C@H](NC[C@H](Cc1ccccc1)[NH+](C)C)c1ccc(C#N)cc1F ZINC000512666062 1040459638 /nfs/dbraw/zinc/45/96/38/1040459638.db2.gz IJYLCDONCAFVSB-YJBOKZPZSA-N 1 1 325.431 3.521 20 30 EHEDMO Cc1oc2nc(C[NH2+][C@H](CCCC#N)c3ccccc3)nc(N)c2c1C ZINC000433020157 1040466884 /nfs/dbraw/zinc/46/68/84/1040466884.db2.gz BTBBJORDDNXDKU-MRXNPFEDSA-N 1 1 349.438 3.947 20 30 EHEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)cc1 ZINC000126163595 1040534539 /nfs/dbraw/zinc/53/45/39/1040534539.db2.gz DCXCXHFLGSUBGO-KDOFPFPSSA-N 1 1 344.842 3.695 20 30 EHEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000481257814 1040560737 /nfs/dbraw/zinc/56/07/37/1040560737.db2.gz OIERCRPQIKHFMW-UHFFFAOYSA-N 1 1 340.471 3.616 20 30 EHEDMO C=C(C)C[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000481257814 1040560754 /nfs/dbraw/zinc/56/07/54/1040560754.db2.gz OIERCRPQIKHFMW-UHFFFAOYSA-N 1 1 340.471 3.616 20 30 EHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433073654 1040645427 /nfs/dbraw/zinc/64/54/27/1040645427.db2.gz GMESPTUYHXELBK-WOJBJXKFSA-N 1 1 334.419 3.652 20 30 EHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433073654 1040645429 /nfs/dbraw/zinc/64/54/29/1040645429.db2.gz GMESPTUYHXELBK-WOJBJXKFSA-N 1 1 334.419 3.652 20 30 EHEDMO C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc(C#N)cc1Cl ZINC000569657183 1040666807 /nfs/dbraw/zinc/66/68/07/1040666807.db2.gz NQLBVRDNAPARHN-SNVBAGLBSA-N 1 1 342.752 3.821 20 30 EHEDMO C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000533950115 1040680066 /nfs/dbraw/zinc/68/00/66/1040680066.db2.gz NIVNSGNXMQASRR-RTBURBONSA-N 1 1 329.488 3.820 20 30 EHEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@@H](c4ccccc4)C3)C2=O)cc1 ZINC000433085318 1040689367 /nfs/dbraw/zinc/68/93/67/1040689367.db2.gz VTMUUVZQDNKUHY-TZIWHRDSSA-N 1 1 345.446 3.543 20 30 EHEDMO C=CCC(C)(C)CNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000433119573 1040781004 /nfs/dbraw/zinc/78/10/04/1040781004.db2.gz VTARBUAIHKYHBV-INIZCTEOSA-N 1 1 345.487 3.804 20 30 EHEDMO N#CCc1cccc2c1CC[N@@H+](Cc1cc(-n3ccnc3)cs1)C2 ZINC000600213003 1040828908 /nfs/dbraw/zinc/82/89/08/1040828908.db2.gz NYKOREZMGHKPLY-UHFFFAOYSA-N 1 1 334.448 3.558 20 30 EHEDMO N#CC[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccccc1 ZINC000600230263 1040869556 /nfs/dbraw/zinc/86/95/56/1040869556.db2.gz PPGGSMDTPAIWMT-ICSRJNTNSA-N 1 1 339.483 3.597 20 30 EHEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000555583009 1040876982 /nfs/dbraw/zinc/87/69/82/1040876982.db2.gz MJMHYBUVCNZIMX-AWEZNQCLSA-N 1 1 343.427 3.577 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000586779895 1041016792 /nfs/dbraw/zinc/01/67/92/1041016792.db2.gz JSQLNLXQORXNQN-UHFFFAOYSA-N 1 1 332.407 3.591 20 30 EHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000563072597 1041294987 /nfs/dbraw/zinc/29/49/87/1041294987.db2.gz NBANMBCXTCMXTR-KRWDZBQOSA-N 1 1 330.353 3.941 20 30 EHEDMO FC(F)(F)c1ccc(C#CC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000433343217 1041306558 /nfs/dbraw/zinc/30/65/58/1041306558.db2.gz NIEHMRJGONAMIQ-UHFFFAOYSA-N 1 1 345.324 3.830 20 30 EHEDMO Fc1ccc(C#CC[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1 ZINC000511759027 1041568619 /nfs/dbraw/zinc/56/86/19/1041568619.db2.gz SPDMNUQMWMMHIR-BHIFYINESA-N 1 1 335.422 3.682 20 30 EHEDMO N#CCc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1 ZINC000511776190 1041599877 /nfs/dbraw/zinc/59/98/77/1041599877.db2.gz UBBPMAJSGRSUTR-VSKRKVRLSA-N 1 1 332.447 3.757 20 30 EHEDMO CCOc1cccc(/C=N/C[C@H](C)[N@H+]2CCc3ccccc3C2)c1O ZINC000026432377 1041718969 /nfs/dbraw/zinc/71/89/69/1041718969.db2.gz LAXIVXKJEUBZTB-SITPEIFSSA-N 1 1 338.451 3.657 20 30 EHEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(OCc3nccn3C)cc2)C1 ZINC000661382402 1042091504 /nfs/dbraw/zinc/09/15/04/1042091504.db2.gz VOLPVJYUFQRJFI-KRWDZBQOSA-N 1 1 325.456 3.787 20 30 EHEDMO C[C@H](C1CC1)[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000024673360 1042218882 /nfs/dbraw/zinc/21/88/82/1042218882.db2.gz SVJLZIJWUSZCBQ-CQSZACIVSA-N 1 1 339.464 3.859 20 30 EHEDMO C=CCCC(C)(C)NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662952432 1042278305 /nfs/dbraw/zinc/27/83/05/1042278305.db2.gz FNVWJPUSPWJRNH-UHFFFAOYSA-N 1 1 343.290 3.588 20 30 EHEDMO C[NH+](C)[C@@H](CNCc1cccc(OCc2ccccc2C#N)c1)C1CC1 ZINC000066905378 1042309741 /nfs/dbraw/zinc/30/97/41/1042309741.db2.gz BPPUAAFMSOLKTB-QFIPXVFZSA-N 1 1 349.478 3.567 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000662086458 1042504199 /nfs/dbraw/zinc/50/41/99/1042504199.db2.gz SVSAHCHDFLFERZ-TXEJJXNPSA-N 1 1 327.453 3.569 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000662086458 1042504201 /nfs/dbraw/zinc/50/42/01/1042504201.db2.gz SVSAHCHDFLFERZ-TXEJJXNPSA-N 1 1 327.453 3.569 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000662082319 1042504288 /nfs/dbraw/zinc/50/42/88/1042504288.db2.gz SXKNCQRJEQCPPS-AEGPPILISA-N 1 1 336.382 3.798 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]CC(C)(C)CCC#N)C[C@H](C)O1 ZINC000343924167 1042843743 /nfs/dbraw/zinc/84/37/43/1042843743.db2.gz NKPYYGMSQJADEN-HDICACEKSA-N 1 1 343.515 3.715 20 30 EHEDMO C[C@@H]1CN(Cc2ccccc2C[NH2+]CC(C)(C)CCC#N)C[C@H](C)O1 ZINC000343924167 1042843750 /nfs/dbraw/zinc/84/37/50/1042843750.db2.gz NKPYYGMSQJADEN-HDICACEKSA-N 1 1 343.515 3.715 20 30 EHEDMO Cc1ccc(Cl)cc1N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000007492888 1042897555 /nfs/dbraw/zinc/89/75/55/1042897555.db2.gz VPNDRJAZCZBLRW-UHFFFAOYSA-N 1 1 325.843 3.842 20 30 EHEDMO Cc1cc(C#N)cc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000585702456 1042995612 /nfs/dbraw/zinc/99/56/12/1042995612.db2.gz NZSOGPPJOXIONE-UHFFFAOYSA-N 1 1 340.858 3.627 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000166643859 1043080676 /nfs/dbraw/zinc/08/06/76/1043080676.db2.gz YIPVULRFZZQYRT-CVEARBPZSA-N 1 1 342.443 3.557 20 30 EHEDMO C[N@H+](CC(=O)Nc1ccccc1SCC#N)C[C@H]1CC=CCC1 ZINC000344029778 1043124797 /nfs/dbraw/zinc/12/47/97/1043124797.db2.gz ATQHUCQYDIQPDO-HNNXBMFYSA-N 1 1 329.469 3.529 20 30 EHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344066076 1043200375 /nfs/dbraw/zinc/20/03/75/1043200375.db2.gz PJHOAMMABCVQLX-IRXDYDNUSA-N 1 1 343.446 3.749 20 30 EHEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279380456 1044014105 /nfs/dbraw/zinc/01/41/05/1044014105.db2.gz KBAUINBSGQTQQL-VQIMIIECSA-N 1 1 337.471 3.869 20 30 EHEDMO C[C@H]1CCC[C@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279380449 1044014455 /nfs/dbraw/zinc/01/44/55/1044014455.db2.gz KBAUINBSGQTQQL-LPHOPBHVSA-N 1 1 337.471 3.869 20 30 EHEDMO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000512200561 1044101893 /nfs/dbraw/zinc/10/18/93/1044101893.db2.gz ZCUSGFNBWNFRCA-LAUBAEHRSA-N 1 1 347.462 3.648 20 30 EHEDMO C=CCC(C)(C)CNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000432579514 1044367819 /nfs/dbraw/zinc/36/78/19/1044367819.db2.gz KOWOIHWXKAVJRA-UHFFFAOYSA-N 1 1 331.460 3.545 20 30 EHEDMO Cc1cccc(CC2(O)CC[NH+](Cc3ccc(C#N)cc3F)CC2)c1 ZINC000279846996 1044753007 /nfs/dbraw/zinc/75/30/07/1044753007.db2.gz RNLARDUSNFLLNG-UHFFFAOYSA-N 1 1 338.426 3.575 20 30 EHEDMO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000076152833 1125540721 /nfs/dbraw/zinc/54/07/21/1125540721.db2.gz XQKNOVMZGQMKGQ-PMACEKPBSA-N 1 1 334.419 3.745 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000076152833 1125540729 /nfs/dbraw/zinc/54/07/29/1125540729.db2.gz XQKNOVMZGQMKGQ-PMACEKPBSA-N 1 1 334.419 3.745 20 30 EHEDMO N#Cc1c(C[NH+]2CCC(OCc3ccccc3)CC2)cn2ccccc12 ZINC000198706022 1125595777 /nfs/dbraw/zinc/59/57/77/1125595777.db2.gz GAMRHDWESGHHOG-UHFFFAOYSA-N 1 1 345.446 3.992 20 30 EHEDMO Fc1ccccc1OCC[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076181462 1125605636 /nfs/dbraw/zinc/60/56/36/1125605636.db2.gz PYZPDWZRVBXVNR-AOOOYVTPSA-N 1 1 345.258 3.877 20 30 EHEDMO Fc1ccccc1OCC[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076181462 1125605640 /nfs/dbraw/zinc/60/56/40/1125605640.db2.gz PYZPDWZRVBXVNR-AOOOYVTPSA-N 1 1 345.258 3.877 20 30 EHEDMO C=CCCC(C)(C)NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000620863067 1125785374 /nfs/dbraw/zinc/78/53/74/1125785374.db2.gz DRDZHBVMGGDFBM-IRXDYDNUSA-N 1 1 344.499 3.770 20 30 EHEDMO CC(C)(C)[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072608962 1126797853 /nfs/dbraw/zinc/79/78/53/1126797853.db2.gz QNBNOQXFXNGVSC-MRXNPFEDSA-N 1 1 331.485 3.751 20 30 EHEDMO C=CC(C)(C)CCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000623527057 1126976109 /nfs/dbraw/zinc/97/61/09/1126976109.db2.gz FIKWZSRPSMIKQR-INIZCTEOSA-N 1 1 349.544 3.862 20 30 EHEDMO C#CC[N@H+](C[C@@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1)C1CC1 ZINC000763960421 1126987685 /nfs/dbraw/zinc/98/76/85/1126987685.db2.gz NWQZRDWPBZPGBW-PKTZIBPZSA-N 1 1 349.474 3.560 20 30 EHEDMO COc1cccc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1OC ZINC000177715267 1126987896 /nfs/dbraw/zinc/98/78/96/1126987896.db2.gz XLMCPSSHZRURPD-UHFFFAOYSA-N 1 1 349.352 3.864 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC000272915397 1127131542 /nfs/dbraw/zinc/13/15/42/1127131542.db2.gz ISGJPRRTQCKNAX-KGLIPLIRSA-N 1 1 347.484 3.594 20 30 EHEDMO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1csc(CC)n1 ZINC000184693003 1127411365 /nfs/dbraw/zinc/41/13/65/1127411365.db2.gz AAFANCYCXYBNAZ-ZBFHGGJFSA-N 1 1 346.496 3.525 20 30 EHEDMO C#CC[N@@H+](Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C)C1CC1 ZINC000764681810 1127522932 /nfs/dbraw/zinc/52/29/32/1127522932.db2.gz JABROYPOGUXUGW-UHFFFAOYSA-N 1 1 327.859 3.799 20 30 EHEDMO C#CC[N@H+](Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C)C1CC1 ZINC000764681810 1127522933 /nfs/dbraw/zinc/52/29/33/1127522933.db2.gz JABROYPOGUXUGW-UHFFFAOYSA-N 1 1 327.859 3.799 20 30 EHEDMO Cc1ccc(Cl)c(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000764999294 1127562887 /nfs/dbraw/zinc/56/28/87/1127562887.db2.gz HXRBROOMXXLAQW-UHFFFAOYSA-N 1 1 340.858 3.627 20 30 EHEDMO Cc1cc(OC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000765114305 1127576743 /nfs/dbraw/zinc/57/67/43/1127576743.db2.gz WVBPUINNXNKNJO-LJQANCHMSA-N 1 1 334.419 3.684 20 30 EHEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1sc2ccc(C#N)cc2c1C ZINC000552684298 1127763217 /nfs/dbraw/zinc/76/32/17/1127763217.db2.gz HJVRXFVZUASREW-ZDUSSCGKSA-N 1 1 343.496 3.932 20 30 EHEDMO C=CC[N@@H+](CCC(=O)N1CCCc2ccccc21)CCc1ccco1 ZINC001168579594 1128011005 /nfs/dbraw/zinc/01/10/05/1128011005.db2.gz JMZSVWFQOHZHOZ-UHFFFAOYSA-N 1 1 338.451 3.680 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCCN(c3ccc4ccccc4n3)CC2)cc1 ZINC000301061797 1128571289 /nfs/dbraw/zinc/57/12/89/1128571289.db2.gz AQXFWUXAPPTIGZ-UHFFFAOYSA-N 1 1 342.446 3.819 20 30 EHEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000301285399 1128582316 /nfs/dbraw/zinc/58/23/16/1128582316.db2.gz LPFRBVWTLSQTOP-GFCCVEGCSA-N 1 1 340.393 3.894 20 30 EHEDMO N#Cc1cccc(Cl)c1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301368438 1128587737 /nfs/dbraw/zinc/58/77/37/1128587737.db2.gz RKHIZNSVXRYALN-KRWDZBQOSA-N 1 1 341.842 3.525 20 30 EHEDMO N#Cc1cccc(Cl)c1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301368438 1128587739 /nfs/dbraw/zinc/58/77/39/1128587739.db2.gz RKHIZNSVXRYALN-KRWDZBQOSA-N 1 1 341.842 3.525 20 30 EHEDMO C[C@@H]1C[C@H](Nc2snc(Cl)c2C#N)C[N@H+]1Cc1ccccc1 ZINC000301613667 1128598705 /nfs/dbraw/zinc/59/87/05/1128598705.db2.gz HJHVSEMUHWMBAN-YPMHNXCESA-N 1 1 332.860 3.743 20 30 EHEDMO CC(C)CC[N@@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000108360061 1128627887 /nfs/dbraw/zinc/62/78/87/1128627887.db2.gz VSTJDEZAXHFCCE-OAHLLOKOSA-N 1 1 333.501 3.997 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2c(C#N)cccc2C#N)CC1 ZINC000302897789 1128653984 /nfs/dbraw/zinc/65/39/84/1128653984.db2.gz RLSVWISLWYKWEN-QGZVFWFLSA-N 1 1 336.483 3.911 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1Cl ZINC000303025886 1128662389 /nfs/dbraw/zinc/66/23/89/1128662389.db2.gz VTKDCRVZNNZQAL-MRXNPFEDSA-N 1 1 339.826 3.640 20 30 EHEDMO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2nccs2)c1 ZINC000109015400 1128681018 /nfs/dbraw/zinc/68/10/18/1128681018.db2.gz FYOCPDKIZFQWAL-UHFFFAOYSA-N 1 1 335.432 3.884 20 30 EHEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000072663315 1128731837 /nfs/dbraw/zinc/73/18/37/1128731837.db2.gz OKXKOAZYEOXNNM-IGCXYCKISA-N 1 1 331.847 3.803 20 30 EHEDMO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)CC1CCC1 ZINC000111296309 1128857702 /nfs/dbraw/zinc/85/77/02/1128857702.db2.gz NILVOLJRBYDUMU-UHFFFAOYSA-N 1 1 331.485 3.559 20 30 EHEDMO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1csc2ccccc21 ZINC000734506441 1131243361 /nfs/dbraw/zinc/24/33/61/1131243361.db2.gz SNNQEMXYMRGLRP-KZULUSFZSA-N 1 1 335.432 3.650 20 30 EHEDMO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000185668755 1120424542 /nfs/dbraw/zinc/42/45/42/1120424542.db2.gz FMKHIAHLFDAHHI-ZMSDIMECSA-N 1 1 345.512 3.997 20 30 EHEDMO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)n1 ZINC000192173488 1120722384 /nfs/dbraw/zinc/72/23/84/1120722384.db2.gz QRJVZZKUAUJJPV-INIZCTEOSA-N 1 1 333.357 3.591 20 30 EHEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000227568317 1120894224 /nfs/dbraw/zinc/89/42/24/1120894224.db2.gz SJGURQPMRKVQIV-FXAWDEMLSA-N 1 1 338.451 3.575 20 30 EHEDMO CC[N@H+](C[C@@H](C)C#N)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000227568317 1120894230 /nfs/dbraw/zinc/89/42/30/1120894230.db2.gz SJGURQPMRKVQIV-FXAWDEMLSA-N 1 1 338.451 3.575 20 30 EHEDMO N#Cc1cc(F)ccc1C[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000494895485 1120899870 /nfs/dbraw/zinc/89/98/70/1120899870.db2.gz RXHXFSYPSBVWIQ-NRFANRHFSA-N 1 1 338.426 3.959 20 30 EHEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNCc2ccccc2)c1C ZINC000914693978 1120951214 /nfs/dbraw/zinc/95/12/14/1120951214.db2.gz WALZCQQGWGHRDP-OAQYLSRUSA-N 1 1 338.499 3.713 20 30 EHEDMO CC[C@H](C/N=C/c1cc(OC)ccc1O)[N@H+]1CCc2ccccc2C1 ZINC000914702037 1120956116 /nfs/dbraw/zinc/95/61/16/1120956116.db2.gz VKRKFNAKJYECFD-PPRFWAEMSA-N 1 1 338.451 3.657 20 30 EHEDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](CCC(C)(C)C#N)C[C@@H]21 ZINC000495151761 1120971916 /nfs/dbraw/zinc/97/19/16/1120971916.db2.gz BOSJGLUXOSMLSX-HRCADAONSA-N 1 1 335.492 3.551 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c(F)c1 ZINC000170651035 1121005239 /nfs/dbraw/zinc/00/52/39/1121005239.db2.gz QAWOTJIXGUMCDK-UHFFFAOYSA-N 1 1 327.378 3.913 20 30 EHEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000495763920 1121406985 /nfs/dbraw/zinc/40/69/85/1121406985.db2.gz OHEJARFDGKWMKA-BBRMVZONSA-N 1 1 347.434 3.575 20 30 EHEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000495763920 1121406988 /nfs/dbraw/zinc/40/69/88/1121406988.db2.gz OHEJARFDGKWMKA-BBRMVZONSA-N 1 1 347.434 3.575 20 30 EHEDMO Cc1cccc2nc(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)[nH]c21 ZINC000153612541 1121410655 /nfs/dbraw/zinc/41/06/55/1121410655.db2.gz BSQLLVMOLFVHII-UHFFFAOYSA-N 1 1 333.439 3.511 20 30 EHEDMO C[NH+](C)[C@H](CNCc1cccc(OCCCC#N)c1)C1CCCCC1 ZINC000237018413 1121471865 /nfs/dbraw/zinc/47/18/65/1121471865.db2.gz CSPBLHBZKLJYPD-OAQYLSRUSA-N 1 1 343.515 3.969 20 30 EHEDMO C=CCn1c2ccccc2n(CN2CC[N@H+](C)C[C@H]2C(C)C)c1=S ZINC000153663459 1121563012 /nfs/dbraw/zinc/56/30/12/1121563012.db2.gz ADTFDCNDKUVFRF-SFHVURJKSA-N 1 1 344.528 3.588 20 30 EHEDMO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cc(Cl)ccc1F ZINC001168497622 1121583294 /nfs/dbraw/zinc/58/32/94/1121583294.db2.gz MEJKQJDZEBEGDA-LLVKDONJSA-N 1 1 331.778 3.640 20 30 EHEDMO Cc1cc(C[NH2+]C[C@H](C#N)CCC#N)cc(NC(=O)OC(C)(C)C)c1 ZINC000495990006 1121599259 /nfs/dbraw/zinc/59/92/59/1121599259.db2.gz PHIUNJOOWBNLQT-HNNXBMFYSA-N 1 1 342.443 3.875 20 30 EHEDMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000282116992 1121784271 /nfs/dbraw/zinc/78/42/71/1121784271.db2.gz XJOZZJNXCIICMG-HKUYNNGSSA-N 1 1 328.456 3.549 20 30 EHEDMO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C#N)c1 ZINC000055911110 1121896466 /nfs/dbraw/zinc/89/64/66/1121896466.db2.gz XVWGEPROYPXRSJ-MRXNPFEDSA-N 1 1 325.437 3.704 20 30 EHEDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2sccc2C#N)c1 ZINC000055911110 1121896468 /nfs/dbraw/zinc/89/64/68/1121896468.db2.gz XVWGEPROYPXRSJ-MRXNPFEDSA-N 1 1 325.437 3.704 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000763409397 1122230863 /nfs/dbraw/zinc/23/08/63/1122230863.db2.gz DXZORJGZEQQBOK-NRFANRHFSA-N 1 1 336.435 3.742 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000763409399 1122231049 /nfs/dbraw/zinc/23/10/49/1122231049.db2.gz DXZORJGZEQQBOK-OAQYLSRUSA-N 1 1 336.435 3.742 20 30 EHEDMO C=C[C@H](CC(=O)N[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000497414474 1122545440 /nfs/dbraw/zinc/54/54/40/1122545440.db2.gz DMUMIWWPVOUVEB-DUXKGJEZSA-N 1 1 334.463 3.560 20 30 EHEDMO C=CCn1c(SC[C@H]2CCC[N@@H+]2C)nnc1-c1ccccc1C ZINC000917266436 1122563833 /nfs/dbraw/zinc/56/38/33/1122563833.db2.gz XLVYQSPMKRHTOE-OAHLLOKOSA-N 1 1 328.485 3.626 20 30 EHEDMO COC(=O)Cc1ccccc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000154739478 1122822819 /nfs/dbraw/zinc/82/28/19/1122822819.db2.gz RGFXOVUQQXSKOP-LEWJYISDSA-N 1 1 348.446 3.674 20 30 EHEDMO C=C(C)CN(C)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000498285531 1122836519 /nfs/dbraw/zinc/83/65/19/1122836519.db2.gz NAEKCXLAFKFEPR-MJGOQNOKSA-N 1 1 329.488 3.505 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000609280549 1122840606 /nfs/dbraw/zinc/84/06/06/1122840606.db2.gz ABXWFTNJPIDOCO-MJGOQNOKSA-N 1 1 347.462 3.840 20 30 EHEDMO C=C(C)COc1cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)ccc1OC ZINC000130060855 1122875898 /nfs/dbraw/zinc/87/58/98/1122875898.db2.gz DPPHSCIMNDHYNB-QGZVFWFLSA-N 1 1 331.456 3.651 20 30 EHEDMO CCC(CC)C[N@@H+](CC)CC(=O)Nc1ccccc1SCC#N ZINC000072635149 1123134091 /nfs/dbraw/zinc/13/40/91/1123134091.db2.gz DKXNSVUKTKMLRX-UHFFFAOYSA-N 1 1 333.501 3.999 20 30 EHEDMO CCC(C)(C)c1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000155115746 1123189921 /nfs/dbraw/zinc/18/99/21/1123189921.db2.gz PCCXRTNWAIXCNH-IBGZPJMESA-N 1 1 335.451 3.562 20 30 EHEDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000155196452 1123313993 /nfs/dbraw/zinc/31/39/93/1123313993.db2.gz RPKOEODALARGCR-UHFFFAOYSA-N 1 1 336.483 3.734 20 30 EHEDMO COc1ccc(O)c(/C=N\Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c1 ZINC000920387754 1123363746 /nfs/dbraw/zinc/36/37/46/1123363746.db2.gz SZPQSGFHQLHVLL-MTJSOVHGSA-N 1 1 339.370 3.653 20 30 EHEDMO CCCCCCCCC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000921086988 1123463323 /nfs/dbraw/zinc/46/33/23/1123463323.db2.gz DIFSVVXRSLQKSK-OTWHNJEPSA-N 1 1 338.536 3.837 20 30 EHEDMO Cc1c(Cl)cccc1N[NH+]=Cc1ccccc1N1CCOCC1 ZINC000921137910 1123470397 /nfs/dbraw/zinc/47/03/97/1123470397.db2.gz SYRXZSBGTNJQIF-UHFFFAOYSA-N 1 1 329.831 3.931 20 30 EHEDMO COc1cccc(/C=N/C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1O ZINC000921261658 1123500984 /nfs/dbraw/zinc/50/09/84/1123500984.db2.gz SHOJPKPBEKJBNO-SDLXJUDFSA-N 1 1 338.451 3.732 20 30 EHEDMO C=CCCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000076733923 1123517272 /nfs/dbraw/zinc/51/72/72/1123517272.db2.gz DHRCTXRFNIMSND-UHFFFAOYSA-N 1 1 342.487 3.928 20 30 EHEDMO COc1cccc(/C=N/C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1O ZINC000064367136 1123586067 /nfs/dbraw/zinc/58/60/67/1123586067.db2.gz KATGCBXBZCCMKK-RVZJCZPVSA-N 1 1 344.480 3.793 20 30 EHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCC2(CCCCC2)C1 ZINC000609541347 1123607736 /nfs/dbraw/zinc/60/77/36/1123607736.db2.gz ITOSQGDHAXFIKB-KRWDZBQOSA-N 1 1 331.504 3.764 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000079267650 1123682429 /nfs/dbraw/zinc/68/24/29/1123682429.db2.gz YINSMRVXEAZJLT-HOTGVXAUSA-N 1 1 335.517 3.566 20 30 EHEDMO C=CCC[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000615602582 1123842319 /nfs/dbraw/zinc/84/23/19/1123842319.db2.gz MQZMTZCPFBUUJP-TZIWHRDSSA-N 1 1 326.484 3.681 20 30 EHEDMO CC[C@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)c1cc(F)ccc1F ZINC000179780005 1123854820 /nfs/dbraw/zinc/85/48/20/1123854820.db2.gz QRYFTILASQTUEG-DYVFJYSZSA-N 1 1 349.425 3.737 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cccc3nccn32)cc1 ZINC000180315200 1123986224 /nfs/dbraw/zinc/98/62/24/1123986224.db2.gz SLTHLUCMRNKAPH-MDZDMXLPSA-N 1 1 328.375 3.725 20 30 EHEDMO CCCC1CCC([N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000616875169 1124043675 /nfs/dbraw/zinc/04/36/75/1124043675.db2.gz SPTGFPMPGQKLKV-UUKMXZOPSA-N 1 1 344.499 3.783 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2F)n1)c1cccc(C#N)c1 ZINC000617058482 1124081547 /nfs/dbraw/zinc/08/15/47/1124081547.db2.gz KDNXTERNEOSNOL-CYBMUJFWSA-N 1 1 338.361 3.873 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000247092928 1124586851 /nfs/dbraw/zinc/58/68/51/1124586851.db2.gz XNZCMJUNBNGOTQ-OAGGEKHMSA-N 1 1 345.512 3.997 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000247092928 1124586858 /nfs/dbraw/zinc/58/68/58/1124586858.db2.gz XNZCMJUNBNGOTQ-OAGGEKHMSA-N 1 1 345.512 3.997 20 30 EHEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SCC#N)[C@@H]2CCCC[C@H]21 ZINC000248424198 1124661051 /nfs/dbraw/zinc/66/10/51/1124661051.db2.gz NIQQWCROYKTVRF-HLLBOEOZSA-N 1 1 343.496 3.751 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2F)no1 ZINC001212324919 1124664930 /nfs/dbraw/zinc/66/49/30/1124664930.db2.gz CEHATFBPJBQFCC-NSHDSACASA-N 1 1 327.281 3.698 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccnc2OC2CCCCC2)no1 ZINC001212326953 1124668551 /nfs/dbraw/zinc/66/85/51/1124668551.db2.gz CFHMTKSDHKVEJF-INIZCTEOSA-N 1 1 340.427 3.646 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)OC)[C@@H](C)C2)cc1Cl ZINC000248928838 1124719557 /nfs/dbraw/zinc/71/95/57/1124719557.db2.gz ZKCQDPHOEGXFNV-DZGCQCFKSA-N 1 1 337.847 3.536 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@@H](C)C2)cc1Cl ZINC000248928838 1124719562 /nfs/dbraw/zinc/71/95/62/1124719562.db2.gz ZKCQDPHOEGXFNV-DZGCQCFKSA-N 1 1 337.847 3.536 20 30 EHEDMO C[C@H]([NH2+]Cc1nccn1CCc1ccccc1)c1ccc(C#N)cc1 ZINC000181868855 1125071744 /nfs/dbraw/zinc/07/17/44/1125071744.db2.gz JUUGGDQTXHEBOU-KRWDZBQOSA-N 1 1 330.435 3.848 20 30 EHEDMO CC(C)[C@@H]1CCCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000735311467 1131335195 /nfs/dbraw/zinc/33/51/95/1131335195.db2.gz KXARZLKTIAOWKE-WMZOPIPTSA-N 1 1 348.450 3.734 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1 ZINC000093280916 1125215415 /nfs/dbraw/zinc/21/54/15/1125215415.db2.gz GZRXNGPKEOHKSB-GOSISDBHSA-N 1 1 344.499 3.626 20 30 EHEDMO N#Cc1c(F)cccc1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000619068011 1125271109 /nfs/dbraw/zinc/27/11/09/1125271109.db2.gz LRZSQUZSGIWNLP-UHFFFAOYSA-N 1 1 334.398 3.501 20 30 EHEDMO C=CCC1(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CCCC1 ZINC000619110987 1125276856 /nfs/dbraw/zinc/27/68/56/1125276856.db2.gz MXGCIFNOVWTWQR-UHFFFAOYSA-N 1 1 346.381 3.824 20 30 EHEDMO COc1cc(OC)c(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000619748541 1125400015 /nfs/dbraw/zinc/40/00/15/1125400015.db2.gz NSOBVPNPJAGXAX-UHFFFAOYSA-N 1 1 346.814 3.527 20 30 EHEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCOCC(F)(F)C(F)F ZINC000682533010 1129220164 /nfs/dbraw/zinc/22/01/64/1129220164.db2.gz NSKNYOIVALFTFA-DTWKUNHWSA-N 1 1 325.268 3.566 20 30 EHEDMO CCc1ccccc1N=NC(C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735612452 1131363959 /nfs/dbraw/zinc/36/39/59/1131363959.db2.gz LFQDCWVGSIWJJV-OAQYLSRUSA-N 1 1 337.467 3.938 20 30 EHEDMO CCc1ccccc1N=NC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735612452 1131363963 /nfs/dbraw/zinc/36/39/63/1131363963.db2.gz LFQDCWVGSIWJJV-OAQYLSRUSA-N 1 1 337.467 3.938 20 30 EHEDMO CC(N=Nc1ccccc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735612460 1131364030 /nfs/dbraw/zinc/36/40/30/1131364030.db2.gz LJXDQSJQNDTQBT-IBGZPJMESA-N 1 1 327.403 3.515 20 30 EHEDMO CC(N=Nc1ccccc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735612460 1131364036 /nfs/dbraw/zinc/36/40/36/1131364036.db2.gz LJXDQSJQNDTQBT-IBGZPJMESA-N 1 1 327.403 3.515 20 30 EHEDMO Cc1cc(C)c(C[NH2+]Cc2cc(C#N)ccc2Br)cn1 ZINC000922168463 1129279166 /nfs/dbraw/zinc/27/91/66/1129279166.db2.gz RJUFHWFKUDKQTN-UHFFFAOYSA-N 1 1 330.229 3.622 20 30 EHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](C)CC1 ZINC000068829366 1129402152 /nfs/dbraw/zinc/40/21/52/1129402152.db2.gz RAEMXWATVAOPIL-STQMWFEESA-N 1 1 331.485 3.557 20 30 EHEDMO CC(C)[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000428852015 1129529478 /nfs/dbraw/zinc/52/94/78/1129529478.db2.gz TWNRAKNKXASKSO-QGZVFWFLSA-N 1 1 335.451 3.646 20 30 EHEDMO N#Cc1ccc2ncc(C[N@@H+](Cc3ccc(F)cc3)CC3CC3)n2c1 ZINC000093479974 1129590730 /nfs/dbraw/zinc/59/07/30/1129590730.db2.gz ZZTQAZKDYQNWST-UHFFFAOYSA-N 1 1 334.398 3.757 20 30 EHEDMO N#Cc1c(F)cccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000428942786 1129624829 /nfs/dbraw/zinc/62/48/29/1129624829.db2.gz OIDMNNMJRJSKIY-DYXWJJEUSA-N 1 1 336.410 3.702 20 30 EHEDMO N#Cc1c(F)cccc1CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000428960464 1129642318 /nfs/dbraw/zinc/64/23/18/1129642318.db2.gz IQHWURHHTDKUJA-INIZCTEOSA-N 1 1 338.430 3.610 20 30 EHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000428960464 1129642320 /nfs/dbraw/zinc/64/23/20/1129642320.db2.gz IQHWURHHTDKUJA-INIZCTEOSA-N 1 1 338.430 3.610 20 30 EHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000428960464 1129642324 /nfs/dbraw/zinc/64/23/24/1129642324.db2.gz IQHWURHHTDKUJA-INIZCTEOSA-N 1 1 338.430 3.610 20 30 EHEDMO COc1cc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000281720165 1129714795 /nfs/dbraw/zinc/71/47/95/1129714795.db2.gz PCALBSOCBNYFOC-UTKZUKDTSA-N 1 1 349.478 3.567 20 30 EHEDMO COc1cc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000281720165 1129714798 /nfs/dbraw/zinc/71/47/98/1129714798.db2.gz PCALBSOCBNYFOC-UTKZUKDTSA-N 1 1 349.478 3.567 20 30 EHEDMO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccc(F)cc2F)c(C#N)c1C ZINC000126480881 1129749156 /nfs/dbraw/zinc/74/91/56/1129749156.db2.gz TXGITFDVXKWIHU-SNVBAGLBSA-N 1 1 349.406 3.804 20 30 EHEDMO CC[N@@H+](Cc1ccccc1C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000133987488 1129974908 /nfs/dbraw/zinc/97/49/08/1129974908.db2.gz VGXDGAQZKVHSEG-QGZVFWFLSA-N 1 1 339.464 3.556 20 30 EHEDMO C=CC[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)C1 ZINC000625705319 1129987997 /nfs/dbraw/zinc/98/79/97/1129987997.db2.gz UEOACJJODFDKOA-YLJYHZDGSA-N 1 1 342.483 3.647 20 30 EHEDMO C=C(C)CN(CC)C(=O)C[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000625722181 1129993748 /nfs/dbraw/zinc/99/37/48/1129993748.db2.gz XIQAXZGADNLUBK-UHFFFAOYSA-N 1 1 331.485 3.546 20 30 EHEDMO COc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)c(OC(F)F)c1 ZINC000172191980 1130113901 /nfs/dbraw/zinc/11/39/01/1130113901.db2.gz LQVIRKRUJAQLFY-UHFFFAOYSA-N 1 1 336.313 3.597 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000246473154 1130385216 /nfs/dbraw/zinc/38/52/16/1130385216.db2.gz XOCDAOATWAYEEU-QFBILLFUSA-N 1 1 349.482 3.817 20 30 EHEDMO C=CC[N@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)C ZINC000731030770 1130759782 /nfs/dbraw/zinc/75/97/82/1130759782.db2.gz LHWNAVWZODNPNO-OAHLLOKOSA-N 1 1 331.485 3.916 20 30 EHEDMO C=CC[N@@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)C ZINC000731030770 1130759787 /nfs/dbraw/zinc/75/97/87/1130759787.db2.gz LHWNAVWZODNPNO-OAHLLOKOSA-N 1 1 331.485 3.916 20 30 EHEDMO N#CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)cc1 ZINC000731212271 1130777264 /nfs/dbraw/zinc/77/72/64/1130777264.db2.gz CHWULSYCLDVIHP-LEWJYISDSA-N 1 1 336.435 3.677 20 30 EHEDMO C#Cc1cccc(NC(=S)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)c1 ZINC000731946253 1130863378 /nfs/dbraw/zinc/86/33/78/1130863378.db2.gz XDLHVPYXABJXIC-KRWDZBQOSA-N 1 1 343.540 3.855 20 30 EHEDMO C#Cc1cccc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)c1 ZINC000732417169 1130925039 /nfs/dbraw/zinc/92/50/39/1130925039.db2.gz ZQTKYCQVIOQCKS-QGZVFWFLSA-N 1 1 327.472 3.690 20 30 EHEDMO C#CCOc1ccccc1C[NH2+]Cc1c(C)nn(CCCC)c1Cl ZINC000734159740 1131204905 /nfs/dbraw/zinc/20/49/05/1131204905.db2.gz XGZGDVUIXNKYRQ-UHFFFAOYSA-N 1 1 345.874 3.947 20 30 EHEDMO N#CCc1cccc(C(=O)OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000734300322 1131217223 /nfs/dbraw/zinc/21/72/23/1131217223.db2.gz ODPVYXPTTTZKNY-FQEVSTJZSA-N 1 1 348.446 3.822 20 30 EHEDMO COc1ccc(Br)cc1C[NH2+]CC#Cc1ccccc1 ZINC000736355209 1131418295 /nfs/dbraw/zinc/41/82/95/1131418295.db2.gz IIQCXIIGDGIWQW-UHFFFAOYSA-N 1 1 330.225 3.599 20 30 EHEDMO CC(C)C[N@H+](CCC#N)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000740878534 1131552063 /nfs/dbraw/zinc/55/20/63/1131552063.db2.gz LEEJSAHSFOBJDY-UHFFFAOYSA-N 1 1 332.835 3.804 20 30 EHEDMO CC(C)C[N@@H+](CCC#N)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000740878534 1131552069 /nfs/dbraw/zinc/55/20/69/1131552069.db2.gz LEEJSAHSFOBJDY-UHFFFAOYSA-N 1 1 332.835 3.804 20 30 EHEDMO C[N@H+]1CCC[C@H](C/N=C/c2cccc(O)c2O)[C@@H]1c1cccs1 ZINC000741465348 1131605838 /nfs/dbraw/zinc/60/58/38/1131605838.db2.gz UORIBBLWGFRMJC-ZMYFZJSUSA-N 1 1 330.453 3.661 20 30 EHEDMO CC[N@H+]1CCC(N=Nc2c(F)cc(F)cc2Br)[C@H](C)C1 ZINC000741771120 1131644009 /nfs/dbraw/zinc/64/40/09/1131644009.db2.gz IJPWLYVKYPEEDY-SECBINFHSA-N 1 1 346.219 3.857 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000741782880 1131647285 /nfs/dbraw/zinc/64/72/85/1131647285.db2.gz YJRBNNAICLHDHQ-HNAYVOBHSA-N 1 1 335.407 3.576 20 30 EHEDMO Cc1cccc(CN2CC[C@@]3(CC[N@H+]([C@H](C)CCCC#N)C3)C2=O)c1 ZINC001172493758 1131757689 /nfs/dbraw/zinc/75/76/89/1131757689.db2.gz COXKRAMCFYGIDF-NQIIRXRSSA-N 1 1 339.483 3.502 20 30 EHEDMO 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1131761333 /nfs/dbraw/zinc/76/13/33/1131761333.db2.gz FYCMTFTYAWUSFN-NVXWUHKLSA-N 1 1 339.405 3.817 20 30 EHEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCc2c(nnn2C)[C@@H]1COC ZINC001172505958 1131761896 /nfs/dbraw/zinc/76/18/96/1131761896.db2.gz XVPXQQQSEMKFEI-AEFFLSMTSA-N 1 1 336.524 3.890 20 30 EHEDMO CCCCCCC[C@@H](CCC)[NH+]1CC2(C1)[C@H](CF)CCS2(=O)=O ZINC001172512126 1131765053 /nfs/dbraw/zinc/76/50/53/1131765053.db2.gz ZMEHYIJAAVAZFR-DLBZAZTESA-N 1 1 347.540 3.974 20 30 EHEDMO N#Cc1ccc(N2CCC[N@H+]([C@H]3CC[C@@H](c4ccccc4)C3)CC2)nc1 ZINC001172562564 1131772119 /nfs/dbraw/zinc/77/21/19/1131772119.db2.gz BSZARBXESIHAOM-RTWAWAEBSA-N 1 1 346.478 3.802 20 30 EHEDMO CCCCCCCC[N@@H+](CCN)[C@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172771977 1131841245 /nfs/dbraw/zinc/84/12/45/1131841245.db2.gz FIHLAXVDHKTEBB-ROUUACIJSA-N 1 1 326.525 3.730 20 30 EHEDMO CCCC[N@@H+](CCC#N)C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172817664 1131849999 /nfs/dbraw/zinc/84/99/99/1131849999.db2.gz GVNZZBXNYFUCSJ-SJPCQFCGSA-N 1 1 333.476 3.709 20 30 EHEDMO C=CCCCC[N@H+](C)Cc1cc(Br)c(O)c(OC)c1 ZINC001204103070 1131888263 /nfs/dbraw/zinc/88/82/63/1131888263.db2.gz CDVAHRSEMKUNOX-UHFFFAOYSA-N 1 1 328.250 3.951 20 30 EHEDMO C=CCN(C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C(C)C ZINC000743358309 1131901182 /nfs/dbraw/zinc/90/11/82/1131901182.db2.gz HTPIIGPEZHUVOC-LJQANCHMSA-N 1 1 329.488 3.647 20 30 EHEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](C1CCC3(CCOCC3)CC1)C2 ZINC001173047519 1131941727 /nfs/dbraw/zinc/94/17/27/1131941727.db2.gz FCKKJSXUCFTZRA-TZIWHRDSSA-N 1 1 349.515 3.552 20 30 EHEDMO CN(C[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F)C(=O)OC(C)(C)C ZINC000743867488 1131992810 /nfs/dbraw/zinc/99/28/10/1131992810.db2.gz SPJMLIPJCQTEDX-MRXNPFEDSA-N 1 1 347.434 3.529 20 30 EHEDMO CN(C[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F)C(=O)OC(C)(C)C ZINC000743867488 1131992817 /nfs/dbraw/zinc/99/28/17/1131992817.db2.gz SPJMLIPJCQTEDX-MRXNPFEDSA-N 1 1 347.434 3.529 20 30 EHEDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](CCC#N)C2CCCC2)c1F ZINC001173189617 1131995305 /nfs/dbraw/zinc/99/53/05/1131995305.db2.gz LGTNGPBMODIHGZ-ZDUSSCGKSA-N 1 1 349.406 3.832 20 30 EHEDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](CCC#N)C2CCCC2)c1F ZINC001173189617 1131995311 /nfs/dbraw/zinc/99/53/11/1131995311.db2.gz LGTNGPBMODIHGZ-ZDUSSCGKSA-N 1 1 349.406 3.832 20 30 EHEDMO C#CC[N@H+](CC(=O)N[C@H](C)c1ccccc1Cl)C1CCCCC1 ZINC000744212598 1132046918 /nfs/dbraw/zinc/04/69/18/1132046918.db2.gz SXYSADIIUZAUQZ-OAHLLOKOSA-N 1 1 332.875 3.785 20 30 EHEDMO C=CCOC1CCC([N@@H+]2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC001173328069 1132047672 /nfs/dbraw/zinc/04/76/72/1132047672.db2.gz ZIWJOUBFQOPQMP-UHFFFAOYSA-N 1 1 331.456 3.576 20 30 EHEDMO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173331044 1132049254 /nfs/dbraw/zinc/04/92/54/1132049254.db2.gz KRVRXSXUDGYJRC-GTPINHCMSA-N 1 1 335.492 3.648 20 30 EHEDMO CC(C)(C)OC(=O)N1CC([N@@H+](C2CC2)C2CCC(CC#N)CC2)C1 ZINC001173337245 1132052444 /nfs/dbraw/zinc/05/24/44/1132052444.db2.gz CULFGUQPQZNWEW-UHFFFAOYSA-N 1 1 333.476 3.543 20 30 EHEDMO C[N@@H+](C1CCC(CC#N)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001173336217 1132053135 /nfs/dbraw/zinc/05/31/35/1132053135.db2.gz RXXOGEFACXCXHT-OFLPRAFFSA-N 1 1 335.492 3.790 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC3(CCCC3)C2)cc1C ZINC000744421815 1132092925 /nfs/dbraw/zinc/09/29/25/1132092925.db2.gz GXRGZDJTYVRNER-UHFFFAOYSA-N 1 1 339.483 3.816 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C3CCC(C)(C#N)CC3)CC[C@@H]21 ZINC001173593852 1132097543 /nfs/dbraw/zinc/09/75/43/1132097543.db2.gz ONROJZYRKODFCP-YJBCQJRQSA-N 1 1 347.503 3.790 20 30 EHEDMO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173596597 1132099365 /nfs/dbraw/zinc/09/93/65/1132099365.db2.gz ADCJPWNOEJRXJA-SCXZOKCQSA-N 1 1 335.492 3.836 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2C1CCC(C)(C#N)CC1 ZINC001173594206 1132099580 /nfs/dbraw/zinc/09/95/80/1132099580.db2.gz VHLJKPRQDHLREG-YJTLQXIOSA-N 1 1 333.476 3.543 20 30 EHEDMO C[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C1CCC(C)(C#N)CC1 ZINC001173598010 1132101293 /nfs/dbraw/zinc/10/12/93/1132101293.db2.gz LYMQQGVUQBFBCK-MWXLCCTBSA-N 1 1 325.500 3.913 20 30 EHEDMO C[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C1CCC(C)(C#N)CC1 ZINC001173598010 1132101298 /nfs/dbraw/zinc/10/12/98/1132101298.db2.gz LYMQQGVUQBFBCK-MWXLCCTBSA-N 1 1 325.500 3.913 20 30 EHEDMO CCCCCCCC[N@@H+](CCN)[C@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173633957 1132110382 /nfs/dbraw/zinc/11/03/82/1132110382.db2.gz DNERGCSDCRVBDP-ROUUACIJSA-N 1 1 326.525 3.730 20 30 EHEDMO COC(=O)c1ccc(C[C@H](C)[N@H+](CCC#N)Cc2ccccc2)cc1 ZINC001173722013 1132137117 /nfs/dbraw/zinc/13/71/17/1132137117.db2.gz CNIUNDGIEYHYJG-KRWDZBQOSA-N 1 1 336.435 3.820 20 30 EHEDMO COC(=O)c1ccc(C[C@H](C)[N@@H+](CCC#N)Cc2ccccc2)cc1 ZINC001173722013 1132137119 /nfs/dbraw/zinc/13/71/19/1132137119.db2.gz CNIUNDGIEYHYJG-KRWDZBQOSA-N 1 1 336.435 3.820 20 30 EHEDMO C=CCN(C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C(C)C ZINC000745845596 1132323354 /nfs/dbraw/zinc/32/33/54/1132323354.db2.gz BIBUHBAZWQQDJD-WBVHZDCISA-N 1 1 335.517 3.737 20 30 EHEDMO CCOc1ccc([NH+]=C(NO)c2ccccc2N)cc1C(F)(F)F ZINC001175034412 1132543578 /nfs/dbraw/zinc/54/35/78/1132543578.db2.gz NMJKQPDFESYDKR-UHFFFAOYSA-N 1 1 339.317 3.743 20 30 EHEDMO CC[NH+]1CCC(N2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC001169264562 1132705462 /nfs/dbraw/zinc/70/54/62/1132705462.db2.gz IFBWISUQYPVFGH-UHFFFAOYSA-N 1 1 347.890 3.539 20 30 EHEDMO Cc1ccc(C)c([C@H]2CCC[N@H+]2Cn2cc3c(c(C#N)c2=O)CCC3)c1 ZINC000766631689 1132705776 /nfs/dbraw/zinc/70/57/76/1132705776.db2.gz HYHDRUSMGRCUQJ-OAQYLSRUSA-N 1 1 347.462 3.620 20 30 EHEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(OC)c(OC[C@H](C)CC)cc1[N+](=O)[O-] ZINC001169243660 1132707206 /nfs/dbraw/zinc/70/72/06/1132707206.db2.gz SCXQPEJYVWIJDT-CQSZACIVSA-N 1 1 348.443 3.872 20 30 EHEDMO C#CC(C)(C)[N@H+](C)Cc1cc(OC)c(OC[C@H](C)CC)cc1[N+](=O)[O-] ZINC001169243660 1132707211 /nfs/dbraw/zinc/70/72/11/1132707211.db2.gz SCXQPEJYVWIJDT-CQSZACIVSA-N 1 1 348.443 3.872 20 30 EHEDMO N#Cc1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)c2cccnc12 ZINC001175863917 1132787187 /nfs/dbraw/zinc/78/71/87/1132787187.db2.gz UUGHHLAUHIKIOB-UHFFFAOYSA-N 1 1 344.418 3.682 20 30 EHEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCc2ccc3c(c2)C(=O)NC3)cc1 ZINC001169770743 1132853285 /nfs/dbraw/zinc/85/32/85/1132853285.db2.gz XJUCTWSEONQRSZ-OAQYLSRUSA-N 1 1 347.462 3.865 20 30 EHEDMO C#CC[N@H+](CCc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176129802 1132854954 /nfs/dbraw/zinc/85/49/54/1132854954.db2.gz LORFRXAYDBNDAK-UHFFFAOYSA-N 1 1 342.483 3.564 20 30 EHEDMO C[N@@H+](CCOc1ccccc1C(C)(C)C)C[C@@H](O)CC1(C#N)CCC1 ZINC001169831723 1132863170 /nfs/dbraw/zinc/86/31/70/1132863170.db2.gz AQOKVUQCBMGDDF-KRWDZBQOSA-N 1 1 344.499 3.740 20 30 EHEDMO CC1(C)CC[C@H](C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)OC1 ZINC001169812094 1132865491 /nfs/dbraw/zinc/86/54/91/1132865491.db2.gz QHMCUMHCFVZIDG-MRXNPFEDSA-N 1 1 347.890 3.539 20 30 EHEDMO C#CC[N@@H+](C[C@H]1COc2ccccc2O1)[C@H]1CCCc2ccccc21 ZINC001176453565 1132938402 /nfs/dbraw/zinc/93/84/02/1132938402.db2.gz WIKGNRPSQFZVCV-ICSRJNTNSA-N 1 1 333.431 3.839 20 30 EHEDMO CCCCCCCCOCC(=O)N1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001177706891 1133095608 /nfs/dbraw/zinc/09/56/08/1133095608.db2.gz CWXSBJUQLSTOPL-SFHVURJKSA-N 1 1 338.536 3.839 20 30 EHEDMO Cc1ccc(OCC[N@H+](C)Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000768211856 1133108540 /nfs/dbraw/zinc/10/85/40/1133108540.db2.gz GCIWHISNFRVHPW-UHFFFAOYSA-N 1 1 337.467 3.856 20 30 EHEDMO C#CCOc1ccccc1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC001177880611 1133114318 /nfs/dbraw/zinc/11/43/18/1133114318.db2.gz PZODUJXOKVULAY-UHFFFAOYSA-N 1 1 335.325 3.729 20 30 EHEDMO Cc1cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cnc1Cl ZINC000768771473 1133180509 /nfs/dbraw/zinc/18/05/09/1133180509.db2.gz WKKBMYUKHZVFRM-UHFFFAOYSA-N 1 1 340.858 3.627 20 30 EHEDMO Cc1cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cnc1Cl ZINC000768771473 1133180513 /nfs/dbraw/zinc/18/05/13/1133180513.db2.gz WKKBMYUKHZVFRM-UHFFFAOYSA-N 1 1 340.858 3.627 20 30 EHEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](C)COC ZINC001179859162 1133295261 /nfs/dbraw/zinc/29/52/61/1133295261.db2.gz LPMWLMHVWZKLPW-GFCCVEGCSA-N 1 1 330.241 3.859 20 30 EHEDMO C#CCOc1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000769514709 1133307475 /nfs/dbraw/zinc/30/74/75/1133307475.db2.gz NNPJHEZTYHRKRO-HNAYVOBHSA-N 1 1 327.449 3.722 20 30 EHEDMO C#CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000769514709 1133307478 /nfs/dbraw/zinc/30/74/78/1133307478.db2.gz NNPJHEZTYHRKRO-HNAYVOBHSA-N 1 1 327.449 3.722 20 30 EHEDMO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1C[C@@H](C)CCC#N ZINC001180113315 1133333287 /nfs/dbraw/zinc/33/32/87/1133333287.db2.gz UHMYKIVZVKZYAK-WFXMLNOXSA-N 1 1 342.531 3.862 20 30 EHEDMO C=CCCCCC[N@H+](C)Cc1c(NC(=O)OC(C)(C)C)cnn1C ZINC001180198907 1133348328 /nfs/dbraw/zinc/34/83/28/1133348328.db2.gz LRKVVQURBMAVFB-UHFFFAOYSA-N 1 1 336.480 3.945 20 30 EHEDMO Brc1cc(N=NC2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000769810139 1133349797 /nfs/dbraw/zinc/34/97/97/1133349797.db2.gz JLHFWQDGTFBUET-UHFFFAOYSA-N 1 1 345.244 3.518 20 30 EHEDMO CCOc1ccc(O)c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000770381984 1133416775 /nfs/dbraw/zinc/41/67/75/1133416775.db2.gz SYKJASBPCOFGKH-UHFFFAOYSA-N 1 1 334.419 3.952 20 30 EHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1sc2ccccc2c1C ZINC001183246814 1133785479 /nfs/dbraw/zinc/78/54/79/1133785479.db2.gz PNEAOXAKIVAFCB-HNNXBMFYSA-N 1 1 328.481 3.519 20 30 EHEDMO CN(C[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F)C(=O)OC(C)(C)C ZINC000774638518 1133813924 /nfs/dbraw/zinc/81/39/24/1133813924.db2.gz AXPMDPXINZCYLL-INIZCTEOSA-N 1 1 347.434 3.529 20 30 EHEDMO CN(C[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1F)C(=O)OC(C)(C)C ZINC000774638518 1133813931 /nfs/dbraw/zinc/81/39/31/1133813931.db2.gz AXPMDPXINZCYLL-INIZCTEOSA-N 1 1 347.434 3.529 20 30 EHEDMO CC(C)(C#N)c1ccccc1COC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000786892385 1133916681 /nfs/dbraw/zinc/91/66/81/1133916681.db2.gz REKVLMJEBFMZPZ-LJQANCHMSA-N 1 1 340.467 3.938 20 30 EHEDMO C=C1CC(C)(C(=O)N2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001184787474 1133990956 /nfs/dbraw/zinc/99/09/56/1133990956.db2.gz NWHLPFAVHUYCOE-UXHICEINSA-N 1 1 338.495 3.713 20 30 EHEDMO C#Cc1cccc(NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000746720203 1134061564 /nfs/dbraw/zinc/06/15/64/1134061564.db2.gz TVLMKBIIYOVOHP-NRFANRHFSA-N 1 1 347.462 3.796 20 30 EHEDMO COc1ccc(N2CCC[N@@H+](Cc3ccc(C#N)c(C)c3)CC2)cc1 ZINC000774852912 1134069111 /nfs/dbraw/zinc/06/91/11/1134069111.db2.gz KWSWKNHMVMYQMS-UHFFFAOYSA-N 1 1 335.451 3.588 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CCOC)[C@H](C)c2cccc3ccccc32)n1 ZINC000789320766 1134256273 /nfs/dbraw/zinc/25/62/73/1134256273.db2.gz FWBRYSWQOXOYSO-GOSISDBHSA-N 1 1 347.462 3.879 20 30 EHEDMO C#CCn1ccc(C[N@H+](CCOC)[C@H](C)c2cccc3ccccc32)n1 ZINC000789320766 1134256277 /nfs/dbraw/zinc/25/62/77/1134256277.db2.gz FWBRYSWQOXOYSO-GOSISDBHSA-N 1 1 347.462 3.879 20 30 EHEDMO Cc1cccc(NCCNc2ccc(C#N)c(Br)c2)[nH+]1 ZINC001187694991 1134369654 /nfs/dbraw/zinc/36/96/54/1134369654.db2.gz ROXWVCLVZZFROL-UHFFFAOYSA-N 1 1 331.217 3.548 20 30 EHEDMO CCCCCCCCS(=O)(=O)Nc1ccc2c(c1)C[N@@H+](C)CC2 ZINC001188017682 1134416850 /nfs/dbraw/zinc/41/68/50/1134416850.db2.gz BBTAHJFAYWWAGM-UHFFFAOYSA-N 1 1 338.517 3.777 20 30 EHEDMO CCCCCCCCS(=O)(=O)Nc1ccc2c(c1)C[N@H+](C)CC2 ZINC001188017682 1134416853 /nfs/dbraw/zinc/41/68/53/1134416853.db2.gz BBTAHJFAYWWAGM-UHFFFAOYSA-N 1 1 338.517 3.777 20 30 EHEDMO C=CCc1cc(C[N@H+](CCOC)[C@H]2CC[C@H](C)C2)c(O)c(OC)c1 ZINC000790478186 1134423581 /nfs/dbraw/zinc/42/35/81/1134423581.db2.gz JZGSKHVRHKIQFS-YJBOKZPZSA-N 1 1 333.472 3.766 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC001189264085 1134564323 /nfs/dbraw/zinc/56/43/23/1134564323.db2.gz RSLZSSBUNSOLMP-IBGZPJMESA-N 1 1 341.499 3.835 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)NC[C@@H]2CCCC[N@@H+]2C)c1 ZINC001189274974 1134566319 /nfs/dbraw/zinc/56/63/19/1134566319.db2.gz PDFKEQDHKOSZBW-SFHVURJKSA-N 1 1 329.488 3.738 20 30 EHEDMO C=C(C)Cc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001190224508 1134668722 /nfs/dbraw/zinc/66/87/22/1134668722.db2.gz PKCREGGBJONMIJ-LJQANCHMSA-N 1 1 336.435 3.802 20 30 EHEDMO COC(=O)[C@H]1C[C@@H](C)C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170389023 1134762583 /nfs/dbraw/zinc/76/25/83/1134762583.db2.gz JGDQRCKUIATURN-HQHMFNRPSA-N 1 1 340.467 3.522 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)Cc1ccc(F)cc1C ZINC000792706529 1134783097 /nfs/dbraw/zinc/78/30/97/1134783097.db2.gz CLHNUBOAOXHKPP-UHFFFAOYSA-N 1 1 349.413 3.662 20 30 EHEDMO CCCCCCCNC(=O)N1CCCN(c2[nH+]cccc2C)CC1 ZINC001191098114 1134792097 /nfs/dbraw/zinc/79/20/97/1134792097.db2.gz RLRYCTMNQGYNCJ-UHFFFAOYSA-N 1 1 332.492 3.582 20 30 EHEDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001191444090 1134868219 /nfs/dbraw/zinc/86/82/19/1134868219.db2.gz HVMYOLWROMHGEE-FGZHOGPDSA-N 1 1 334.463 3.936 20 30 EHEDMO C#Cc1cccc(NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000775472720 1134897510 /nfs/dbraw/zinc/89/75/10/1134897510.db2.gz FEEHBBLTPZJZBP-OAQYLSRUSA-N 1 1 347.462 3.700 20 30 EHEDMO C=CC[C@H](C(=O)OC)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC001191927964 1134943764 /nfs/dbraw/zinc/94/37/64/1134943764.db2.gz FHNXGGAJEKZEOM-OAHLLOKOSA-N 1 1 348.830 3.778 20 30 EHEDMO C=CC[N@@H+](CCC(=O)Nc1ccc(C)c(F)c1)CCc1ccco1 ZINC001192652171 1135039833 /nfs/dbraw/zinc/03/98/33/1135039833.db2.gz BMERITHKMCZRKZ-UHFFFAOYSA-N 1 1 330.403 3.786 20 30 EHEDMO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000794325006 1135040447 /nfs/dbraw/zinc/04/04/47/1135040447.db2.gz BEAHLFKBJUZWOV-QGZVFWFLSA-N 1 1 345.462 3.606 20 30 EHEDMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000794325006 1135040449 /nfs/dbraw/zinc/04/04/49/1135040449.db2.gz BEAHLFKBJUZWOV-QGZVFWFLSA-N 1 1 345.462 3.606 20 30 EHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000794392983 1135047713 /nfs/dbraw/zinc/04/77/13/1135047713.db2.gz MDHDFDBNAGSPMT-RHSMWYFYSA-N 1 1 330.428 3.847 20 30 EHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000794392983 1135047721 /nfs/dbraw/zinc/04/77/21/1135047721.db2.gz MDHDFDBNAGSPMT-RHSMWYFYSA-N 1 1 330.428 3.847 20 30 EHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2nc(Cl)c(C#N)s2)C1 ZINC000804371495 1135049283 /nfs/dbraw/zinc/04/92/83/1135049283.db2.gz ACXSDXAHXOZLPB-WCQYABFASA-N 1 1 332.860 3.916 20 30 EHEDMO CCc1nc(NCc2ccc(OC)c(O[C@H](C#N)CC)c2)cc(C)[nH+]1 ZINC000804456532 1135074584 /nfs/dbraw/zinc/07/45/84/1135074584.db2.gz ZMTLXFWMJZNPHY-HNNXBMFYSA-N 1 1 340.427 3.649 20 30 EHEDMO C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000804457680 1135075005 /nfs/dbraw/zinc/07/50/05/1135075005.db2.gz BUONLDHJBBGYPK-PZJWPPBQSA-N 1 1 338.495 3.534 20 30 EHEDMO COC(=O)c1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)ccc1C ZINC001192946750 1135075443 /nfs/dbraw/zinc/07/54/43/1135075443.db2.gz JXXIQKRRFVPTFZ-UHFFFAOYSA-N 1 1 346.430 3.943 20 30 EHEDMO CO[C@H](Cc1ccccc1)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC001192946753 1135075533 /nfs/dbraw/zinc/07/55/33/1135075533.db2.gz KBPQKKVFJGEFMA-JOCHJYFZSA-N 1 1 332.447 3.905 20 30 EHEDMO C[C@@H]1CN(c2nc(Cl)c(C#N)s2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000804586904 1135126449 /nfs/dbraw/zinc/12/64/49/1135126449.db2.gz RGPQXSCHFYTSCZ-OLZOCXBDSA-N 1 1 346.887 3.767 20 30 EHEDMO C[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001129703142 1135139379 /nfs/dbraw/zinc/13/93/79/1135139379.db2.gz BHSFIDBNBQQXDT-GOSISDBHSA-N 1 1 339.483 3.583 20 30 EHEDMO C[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001129703142 1135139381 /nfs/dbraw/zinc/13/93/81/1135139381.db2.gz BHSFIDBNBQQXDT-GOSISDBHSA-N 1 1 339.483 3.583 20 30 EHEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC001195749209 1135466571 /nfs/dbraw/zinc/46/65/71/1135466571.db2.gz RCRFCXAQYNDPGK-HXUWFJFHSA-N 1 1 340.854 3.738 20 30 EHEDMO C#CCC[N@@H+](CCOC)Cc1cc(Br)ccc1Cl ZINC001196394716 1135554448 /nfs/dbraw/zinc/55/44/48/1135554448.db2.gz ZAPLXZNDQOURLP-UHFFFAOYSA-N 1 1 330.653 3.574 20 30 EHEDMO C#CCC[N@H+](CCOC)Cc1cc(Br)ccc1Cl ZINC001196394716 1135554452 /nfs/dbraw/zinc/55/44/52/1135554452.db2.gz ZAPLXZNDQOURLP-UHFFFAOYSA-N 1 1 330.653 3.574 20 30 EHEDMO C=CC[N@H+](CC[C@H](O)c1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000808713696 1135719068 /nfs/dbraw/zinc/71/90/68/1135719068.db2.gz QZGCGCYKKRAADV-IBGZPJMESA-N 1 1 326.396 3.707 20 30 EHEDMO C#CC[N@@H+](C[C@H]1CC2(CO1)CCOCC2)[C@H]1CCCc2ccccc21 ZINC001198105296 1135776479 /nfs/dbraw/zinc/77/64/79/1135776479.db2.gz WSPATRHWPANYNN-CTNGQTDRSA-N 1 1 339.479 3.585 20 30 EHEDMO CCCCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1COC ZINC001198575885 1135832963 /nfs/dbraw/zinc/83/29/63/1135832963.db2.gz YYVMEVRNODGGJP-KRWDZBQOSA-N 1 1 342.524 3.915 20 30 EHEDMO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000809691851 1135867024 /nfs/dbraw/zinc/86/70/24/1135867024.db2.gz SGUNSWVELPXPEX-AWEZNQCLSA-N 1 1 335.473 3.501 20 30 EHEDMO CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000809691851 1135867028 /nfs/dbraw/zinc/86/70/28/1135867028.db2.gz SGUNSWVELPXPEX-AWEZNQCLSA-N 1 1 335.473 3.501 20 30 EHEDMO C#CCOc1ccccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000809699692 1135869721 /nfs/dbraw/zinc/86/97/21/1135869721.db2.gz RZRPXVAGKJWFFN-FSSWDIPSSA-N 1 1 347.458 3.703 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)o1 ZINC000809779837 1135890155 /nfs/dbraw/zinc/89/01/55/1135890155.db2.gz BBUVDWHLGZMPEG-MRXNPFEDSA-N 1 1 345.443 3.565 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)o1 ZINC000809779837 1135890158 /nfs/dbraw/zinc/89/01/58/1135890158.db2.gz BBUVDWHLGZMPEG-MRXNPFEDSA-N 1 1 345.443 3.565 20 30 EHEDMO C#C[C@@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)C(C)(C)C ZINC000809781009 1135890523 /nfs/dbraw/zinc/89/05/23/1135890523.db2.gz FAHRTSZBSVEHAA-MRXNPFEDSA-N 1 1 328.437 3.676 20 30 EHEDMO C=CCOc1ccc(CNC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1OC ZINC001199295600 1135893487 /nfs/dbraw/zinc/89/34/87/1135893487.db2.gz KLDOROCCVZVZNJ-IAGOWNOFSA-N 1 1 332.488 3.613 20 30 EHEDMO C=CCOc1ccc(CNC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1OC ZINC001199295600 1135893488 /nfs/dbraw/zinc/89/34/88/1135893488.db2.gz KLDOROCCVZVZNJ-IAGOWNOFSA-N 1 1 332.488 3.613 20 30 EHEDMO C[C@H]1CCC[C@@](CNCc2ccc(C3(C#N)CC3)cc2)([NH+](C)C)C1 ZINC001199639939 1135916816 /nfs/dbraw/zinc/91/68/16/1135916816.db2.gz OJUJDIWNSFPOOT-LAUBAEHRSA-N 1 1 325.500 3.842 20 30 EHEDMO C[C@@H]1CCC[C@@](CNCc2ccc(C3(C#N)CC3)cc2)([NH+](C)C)C1 ZINC001199639938 1135916945 /nfs/dbraw/zinc/91/69/45/1135916945.db2.gz OJUJDIWNSFPOOT-DYESRHJHSA-N 1 1 325.500 3.842 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CCCC2)cc1 ZINC000810034281 1135917293 /nfs/dbraw/zinc/91/72/93/1135917293.db2.gz SRLRWWRTKRTWFM-LJQANCHMSA-N 1 1 341.455 3.582 20 30 EHEDMO C#CCOc1ccccc1C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000810145302 1135930725 /nfs/dbraw/zinc/93/07/25/1135930725.db2.gz YQSSNNVSDUDBJF-UHFFFAOYSA-N 1 1 335.325 3.713 20 30 EHEDMO Cc1c(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cnn1-c1ccccc1 ZINC001201367559 1136009170 /nfs/dbraw/zinc/00/91/70/1136009170.db2.gz XEOVEUXPOPTJJP-UHFFFAOYSA-N 1 1 349.463 3.845 20 30 EHEDMO CCCCCCCN1CC[N@H+]2C[C@@H](OCc3cccc(C)n3)C[C@@H]2C1 ZINC001201762663 1136060850 /nfs/dbraw/zinc/06/08/50/1136060850.db2.gz QPTLTVVRPWUJDX-RTWAWAEBSA-N 1 1 345.531 3.636 20 30 EHEDMO CCCCCCC[N@@H+]1CCN2C[C@@H](OCc3cccc(C)n3)C[C@@H]2C1 ZINC001201762663 1136060852 /nfs/dbraw/zinc/06/08/52/1136060852.db2.gz QPTLTVVRPWUJDX-RTWAWAEBSA-N 1 1 345.531 3.636 20 30 EHEDMO CCCCCCC[N@H+]1CCN2C[C@@H](OCc3cccc(C)n3)C[C@@H]2C1 ZINC001201762663 1136060855 /nfs/dbraw/zinc/06/08/55/1136060855.db2.gz QPTLTVVRPWUJDX-RTWAWAEBSA-N 1 1 345.531 3.636 20 30 EHEDMO CCCCCCCC[N@@H+]1C[C@H]2CN(C(=O)c3cscn3)CC[C@@H]2C1 ZINC001201826474 1136067799 /nfs/dbraw/zinc/06/77/99/1136067799.db2.gz XIWBDWLGZQAYQQ-SJORKVTESA-N 1 1 349.544 3.898 20 30 EHEDMO C=CCN1CC[C@@]2(C[N@@H+](CC3CCCC3)C[C@@H]2c2ccccc2)C1=O ZINC001202140084 1136099230 /nfs/dbraw/zinc/09/92/30/1136099230.db2.gz WAWPXRUKCWOSGA-IRLDBZIGSA-N 1 1 338.495 3.681 20 30 EHEDMO CCC[N@@H+](CC)C[C@@H](C)NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000811721372 1136130507 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342.446 3.996 20 30 EHEDMO Cc1cc(C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c2ccccc2n1 ZINC000852328230 1136448896 /nfs/dbraw/zinc/44/88/96/1136448896.db2.gz AHDXDZTUJCOOEJ-QFIPXVFZSA-N 1 1 342.446 3.996 20 30 EHEDMO CO[C@@H](C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1)C1CCCCC1 ZINC000852330751 1136449284 /nfs/dbraw/zinc/44/92/84/1136449284.db2.gz HHRQJLFIDNOSGB-ICSRJNTNSA-N 1 1 327.472 3.534 20 30 EHEDMO CO[C@@H](C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1)C1CCCCC1 ZINC000852330751 1136449285 /nfs/dbraw/zinc/44/92/85/1136449285.db2.gz HHRQJLFIDNOSGB-ICSRJNTNSA-N 1 1 327.472 3.534 20 30 EHEDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)cc1F ZINC000852521356 1136462081 /nfs/dbraw/zinc/46/20/81/1136462081.db2.gz OAPRZCOZCZMRLN-OALUTQOASA-N 1 1 340.398 3.576 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+](CC3(C#N)CC3)C2)C1 ZINC000814674360 1136489278 /nfs/dbraw/zinc/48/92/78/1136489278.db2.gz PDNLHCNQLBFZDM-IRXDYDNUSA-N 1 1 347.503 3.649 20 30 EHEDMO C=CC[C@@H]1CCC[N@@H+](Cn2c3ccc(C(=O)C(C)C)cc3oc2=O)C1 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331.456 3.566 20 30 EHEDMO C=CCCO[C@H](C)C(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000816468877 1136719743 /nfs/dbraw/zinc/71/97/43/1136719743.db2.gz OUZYAVRSKKJKKS-YQVWRLOYSA-N 1 1 331.456 3.564 20 30 EHEDMO C[C@H]1[C@H](OC(=O)c2cccc(CC#N)c2)CCC[N@H+]1Cc1ccccc1 ZINC000816468982 1136720292 /nfs/dbraw/zinc/72/02/92/1136720292.db2.gz QGEMPVQXKXSBQB-LAUBAEHRSA-N 1 1 348.446 3.963 20 30 EHEDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000817325120 1136797332 /nfs/dbraw/zinc/79/73/32/1136797332.db2.gz XUIWRAXONBUZOW-PXNSSMCTSA-N 1 1 345.462 3.750 20 30 EHEDMO CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1C[N@@H+](CCCC(C)(C)C#N)C2 ZINC000856816211 1136815008 /nfs/dbraw/zinc/81/50/08/1136815008.db2.gz PITUUFRBJSOYKW-HNAYVOBHSA-N 1 1 335.492 3.696 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000817919736 1136846375 /nfs/dbraw/zinc/84/63/75/1136846375.db2.gz VIJHZFXEGBUQBI-QXAKKESOSA-N 1 1 329.488 3.768 20 30 EHEDMO C=CCn1cc(C[NH2+][C@H](C)c2ccc(N3CCCCCC3)cc2)nn1 ZINC000818347348 1136874988 /nfs/dbraw/zinc/87/49/88/1136874988.db2.gz RBYUVSUJJZFMLT-QGZVFWFLSA-N 1 1 339.487 3.695 20 30 EHEDMO C=C(C)CN(CC)C(=O)C[NH+]1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000339007455 1136909936 /nfs/dbraw/zinc/90/99/36/1136909936.db2.gz RIZJYMFTCUKEFN-UHFFFAOYSA-N 1 1 344.499 3.571 20 30 EHEDMO C=C[C@H](C(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC001136201108 1136926269 /nfs/dbraw/zinc/92/62/69/1136926269.db2.gz VQEOPTZHTBFXQY-YADHBBJMSA-N 1 1 348.490 3.909 20 30 EHEDMO CC(C)(C#N)CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000859958324 1137038971 /nfs/dbraw/zinc/03/89/71/1137038971.db2.gz BYXSILMGEHGCTG-RBUKOAKNSA-N 1 1 340.467 3.628 20 30 EHEDMO COc1ccc([C@@H]2CC[N@H+](Cc3ccc(F)cc3C#N)C2)cc1F ZINC000860102603 1137044470 /nfs/dbraw/zinc/04/44/70/1137044470.db2.gz FWUIQMYZLFNXIB-OAHLLOKOSA-N 1 1 328.362 3.835 20 30 EHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)C2)cc1F ZINC000860102603 1137044472 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C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001171204682 1137326073 /nfs/dbraw/zinc/32/60/73/1137326073.db2.gz ZSPBNPDQYVPRFY-PBHICJAKSA-N 1 1 330.428 3.515 20 30 EHEDMO C[C@@H]([NH2+][C@H]1CCCOc2ccc(F)cc21)c1cccc(C#N)c1O ZINC000866246679 1137339042 /nfs/dbraw/zinc/33/90/42/1137339042.db2.gz MVEXLJJDHGFILC-PXAZEXFGSA-N 1 1 326.371 3.967 20 30 EHEDMO CC(C)c1noc([C@H]2CCC[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)n1 ZINC001171222918 1137347728 /nfs/dbraw/zinc/34/77/28/1137347728.db2.gz JKCRJKVBYRMWDI-YJBOKZPZSA-N 1 1 338.455 3.875 20 30 EHEDMO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccc(Br)cn1 ZINC000866352254 1137348315 /nfs/dbraw/zinc/34/83/15/1137348315.db2.gz WFPOOCWLOQTDBQ-GHMZBOCLSA-N 1 1 346.228 3.833 20 30 EHEDMO C=C(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC001148597723 1137429148 /nfs/dbraw/zinc/42/91/48/1137429148.db2.gz YUHJOIYQPDUJOY-INIZCTEOSA-N 1 1 330.472 3.948 20 30 EHEDMO N#CCCN(C(=O)C[N@H+]1CCCC2(CCC2)C1)c1cccc(Cl)c1 ZINC000348184992 1137451544 /nfs/dbraw/zinc/45/15/44/1137451544.db2.gz XNYKDPYGDDHWOP-UHFFFAOYSA-N 1 1 345.874 3.853 20 30 EHEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cccc(Br)c2F)no1 ZINC001247622163 1137468572 /nfs/dbraw/zinc/46/85/72/1137468572.db2.gz HJZPXHSKRORENV-SNVBAGLBSA-N 1 1 326.169 3.604 20 30 EHEDMO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CCCCC1 ZINC000208516136 1137512695 /nfs/dbraw/zinc/51/26/95/1137512695.db2.gz VNPOSVPRWZILLD-CQSZACIVSA-N 1 1 327.453 3.737 20 30 EHEDMO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CCCCC1 ZINC000208516136 1137512696 /nfs/dbraw/zinc/51/26/96/1137512696.db2.gz VNPOSVPRWZILLD-CQSZACIVSA-N 1 1 327.453 3.737 20 30 EHEDMO CCC[N@@H+](CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171857285 1137516076 /nfs/dbraw/zinc/51/60/76/1137516076.db2.gz CQOHJMNUKGXMNT-INIZCTEOSA-N 1 1 335.492 3.934 20 30 EHEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCCC4(CCCC4)CC3)C2=O)cc1 ZINC001171915147 1137518231 /nfs/dbraw/zinc/51/82/31/1137518231.db2.gz BRPIOGLBXBCROV-LJQANCHMSA-N 1 1 337.467 3.710 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001172309487 1137545898 /nfs/dbraw/zinc/54/58/98/1137545898.db2.gz UOYKHPZYOHQOAD-PGRDOPGGSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001172309487 1137545899 /nfs/dbraw/zinc/54/58/99/1137545899.db2.gz UOYKHPZYOHQOAD-PGRDOPGGSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172309487 1137545900 /nfs/dbraw/zinc/54/59/00/1137545900.db2.gz UOYKHPZYOHQOAD-PGRDOPGGSA-N 1 1 333.479 3.696 20 30 EHEDMO CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172319752 1137546951 /nfs/dbraw/zinc/54/69/51/1137546951.db2.gz QXIKFOPGDTUVBK-INIZCTEOSA-N 1 1 345.487 3.724 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001172289568 1137548232 /nfs/dbraw/zinc/54/82/32/1137548232.db2.gz FMUQIQFFDMRVSX-GCJKJVERSA-N 1 1 333.479 3.601 20 30 EHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@H]2OCCN(C(C)=O)[C@@H]2CC1 ZINC001172356402 1137554093 /nfs/dbraw/zinc/55/40/93/1137554093.db2.gz IJAWOPAIBBQPNM-XUVXKRRUSA-N 1 1 338.536 3.837 20 30 EHEDMO CCCCCCC[C@H](CC)[NH2+][C@@H](CCc1cn(C)cn1)C(=O)OC ZINC001172355345 1137554286 /nfs/dbraw/zinc/55/42/86/1137554286.db2.gz AYUIMFUURSEGRZ-WMZOPIPTSA-N 1 1 337.508 3.623 20 30 EHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C2(c3cccc(OC)c3)CCC2)no1 ZINC000872182284 1137575626 /nfs/dbraw/zinc/57/56/26/1137575626.db2.gz WECKKGWMNKXJFL-AWEZNQCLSA-N 1 1 333.819 3.691 20 30 EHEDMO CC[C@@H]([NH2+]Cc1cccc(F)c1C#N)[C@@H](O)c1c(F)cccc1F ZINC000873064917 1137589403 /nfs/dbraw/zinc/58/94/03/1137589403.db2.gz ARXQDGUTLNBRDA-SJLPKXTDSA-N 1 1 334.341 3.577 20 30 EHEDMO CCCC(N)=[NH+]OCc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000125673491 1137640699 /nfs/dbraw/zinc/64/06/99/1137640699.db2.gz GQBJSESPNJLQHJ-UHFFFAOYSA-N 1 1 327.306 3.949 20 30 EHEDMO COc1ccc(C2CC[NH+](Cc3cc(C#N)cnc3Cl)CC2)cc1 ZINC000876725559 1137659782 /nfs/dbraw/zinc/65/97/82/1137659782.db2.gz SQQOLHAVXOHNRS-UHFFFAOYSA-N 1 1 341.842 3.995 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000876770846 1137660822 /nfs/dbraw/zinc/66/08/22/1137660822.db2.gz QVRQBIBHMMQGOS-MRXNPFEDSA-N 1 1 341.842 3.645 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000876770846 1137660823 /nfs/dbraw/zinc/66/08/23/1137660823.db2.gz QVRQBIBHMMQGOS-MRXNPFEDSA-N 1 1 341.842 3.645 20 30 EHEDMO COc1ccc(C[N@@H+]2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)cc1C#N ZINC000877783843 1137689619 /nfs/dbraw/zinc/68/96/19/1137689619.db2.gz INPHGHHMCHTWEF-INIZCTEOSA-N 1 1 338.455 3.793 20 30 EHEDMO COc1ccc(C[N@H+]2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)cc1C#N ZINC000877783843 1137689620 /nfs/dbraw/zinc/68/96/20/1137689620.db2.gz INPHGHHMCHTWEF-INIZCTEOSA-N 1 1 338.455 3.793 20 30 EHEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)[nH]n1 ZINC000877785388 1137690089 /nfs/dbraw/zinc/69/00/89/1137690089.db2.gz YTDVRESLEAOYHK-MRXNPFEDSA-N 1 1 326.419 3.923 20 30 EHEDMO CC(C)c1cc([C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)n[nH]1 ZINC000877785388 1137690090 /nfs/dbraw/zinc/69/00/90/1137690090.db2.gz YTDVRESLEAOYHK-MRXNPFEDSA-N 1 1 326.419 3.923 20 30 EHEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)n[nH]1 ZINC000877785388 1137690091 /nfs/dbraw/zinc/69/00/91/1137690091.db2.gz YTDVRESLEAOYHK-MRXNPFEDSA-N 1 1 326.419 3.923 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000126957355 1137705751 /nfs/dbraw/zinc/70/57/51/1137705751.db2.gz KCGKSUMDVRKKRM-MRXNPFEDSA-N 1 1 332.856 3.995 20 30 EHEDMO N#CCC1(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)CC1 ZINC000878187313 1137706337 /nfs/dbraw/zinc/70/63/37/1137706337.db2.gz ZWWPTFOSLQXOPC-KRWDZBQOSA-N 1 1 326.465 3.978 20 30 EHEDMO CS[C@@H]1CCCC[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878287027 1137709857 /nfs/dbraw/zinc/70/98/57/1137709857.db2.gz PPVRFTRHPGZCLN-RTBURBONSA-N 1 1 330.497 3.645 20 30 EHEDMO C[C@H]1c2sccc2CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000880377721 1137777162 /nfs/dbraw/zinc/77/71/62/1137777162.db2.gz CVHKZIAEEVMZPG-ZDUSSCGKSA-N 1 1 325.437 3.568 20 30 EHEDMO N#CC1(CCC[N@@H+]2Cc3ccccc3N3CCC[C@H]3C2)CCOCC1 ZINC000880554093 1137781277 /nfs/dbraw/zinc/78/12/77/1137781277.db2.gz RTGRCMHCBXWWPB-IBGZPJMESA-N 1 1 339.483 3.572 20 30 EHEDMO C=CCC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1ccco1 ZINC000883290422 1137853016 /nfs/dbraw/zinc/85/30/16/1137853016.db2.gz UOVGYOYOSQYSQJ-FQEVSTJZSA-N 1 1 339.483 3.829 20 30 EHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000108355932 1137889318 /nfs/dbraw/zinc/88/93/18/1137889318.db2.gz LZKQYBWFXCZEDO-HNNXBMFYSA-N 1 1 331.485 3.609 20 30 EHEDMO C[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C1CCCCCCC1 ZINC000134117387 1137940677 /nfs/dbraw/zinc/94/06/77/1137940677.db2.gz XKCKUOABDWNCLK-LJQANCHMSA-N 1 1 330.472 3.537 20 30 EHEDMO Clc1cncnc1N=NC1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000884452595 1137960241 /nfs/dbraw/zinc/96/02/41/1137960241.db2.gz STHYPKLISMQVMV-HOCLYGCPSA-N 1 1 341.846 3.582 20 30 EHEDMO C#CC[N@@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)C1CCCC1 ZINC000135285481 1137965418 /nfs/dbraw/zinc/96/54/18/1137965418.db2.gz RWDVFBOTWCFPJB-UHFFFAOYSA-N 1 1 335.329 3.532 20 30 EHEDMO C#CC[N@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)C1CCCC1 ZINC000135285481 1137965419 /nfs/dbraw/zinc/96/54/19/1137965419.db2.gz RWDVFBOTWCFPJB-UHFFFAOYSA-N 1 1 335.329 3.532 20 30 EHEDMO COc1ccc([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)cc1Br ZINC000030537481 1138002963 /nfs/dbraw/zinc/00/29/63/1138002963.db2.gz BRPOKAIMDPXQEU-NEPJUHHUSA-N 1 1 336.233 3.552 20 30 EHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)CCC1 ZINC000885944196 1138027350 /nfs/dbraw/zinc/02/73/50/1138027350.db2.gz KZNDFHJZLCVCCZ-GDBMZVCRSA-N 1 1 341.480 3.878 20 30 EHEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000885973317 1138029587 /nfs/dbraw/zinc/02/95/87/1138029587.db2.gz RJMITUGFYDXJNY-VAMGGRTRSA-N 1 1 342.483 3.531 20 30 EHEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@H](CSc3ccccc3)C2)CCC1 ZINC000886023493 1138033089 /nfs/dbraw/zinc/03/30/89/1138033089.db2.gz QLMJLRCXNRULOS-IRXDYDNUSA-N 1 1 330.497 3.545 20 30 EHEDMO COc1cc(F)c(C[NH2+]Cc2ccc(SC)c(C#N)c2)cc1OC ZINC000886277156 1138063453 /nfs/dbraw/zinc/06/34/53/1138063453.db2.gz IVYNEQBLPPWBOR-UHFFFAOYSA-N 1 1 346.427 3.726 20 30 EHEDMO N#CC1(C[C@@H](O)C[N@@H+]2CCc3c(cccc3C(F)(F)F)C2)CCC1 ZINC000886299263 1138065710 /nfs/dbraw/zinc/06/57/10/1138065710.db2.gz UOIRPCUVVANHKR-CQSZACIVSA-N 1 1 338.373 3.508 20 30 EHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCc3c(cccc3C(F)(F)F)C2)CCC1 ZINC000886299263 1138065712 /nfs/dbraw/zinc/06/57/12/1138065712.db2.gz UOIRPCUVVANHKR-CQSZACIVSA-N 1 1 338.373 3.508 20 30 EHEDMO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886610879 1138101875 /nfs/dbraw/zinc/10/18/75/1138101875.db2.gz MOKCBHGOYJQKFK-ZCNNSNEGSA-N 1 1 325.500 3.959 20 30 EHEDMO C=CCC1(O)CC[NH+](Cc2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000886778661 1138139077 /nfs/dbraw/zinc/13/90/77/1138139077.db2.gz NBXSQXROERRUQN-UHFFFAOYSA-N 1 1 335.316 3.887 20 30 EHEDMO N#Cc1ccccc1NC(=O)CC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000084138606 1138177742 /nfs/dbraw/zinc/17/77/42/1138177742.db2.gz GQNOCIJPMRIIBA-UHFFFAOYSA-N 1 1 339.361 3.551 20 30 EHEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000123279597 1138268606 /nfs/dbraw/zinc/26/86/06/1138268606.db2.gz HVDDLAFVIDYZHY-UHFFFAOYSA-N 1 1 329.831 3.513 20 30 EHEDMO N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000123279597 1138268609 /nfs/dbraw/zinc/26/86/09/1138268609.db2.gz HVDDLAFVIDYZHY-UHFFFAOYSA-N 1 1 329.831 3.513 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)o1 ZINC000123279597 1138268612 /nfs/dbraw/zinc/26/86/12/1138268612.db2.gz HVDDLAFVIDYZHY-UHFFFAOYSA-N 1 1 329.831 3.513 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)o1 ZINC000123279597 1138268615 /nfs/dbraw/zinc/26/86/15/1138268615.db2.gz HVDDLAFVIDYZHY-UHFFFAOYSA-N 1 1 329.831 3.513 20 30 EHEDMO CC(C)(C#N)CCC[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000127798718 1138371785 /nfs/dbraw/zinc/37/17/85/1138371785.db2.gz LUECLNLMLIRUDN-INIZCTEOSA-N 1 1 338.398 3.991 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000127798718 1138371789 /nfs/dbraw/zinc/37/17/89/1138371789.db2.gz LUECLNLMLIRUDN-INIZCTEOSA-N 1 1 338.398 3.991 20 30 EHEDMO CCC1(C)CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000337697786 1138646053 /nfs/dbraw/zinc/64/60/53/1138646053.db2.gz UPWDHRXDDJKFKK-CYBMUJFWSA-N 1 1 345.512 3.948 20 30 EHEDMO Cc1c(C#N)cccc1C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000338183727 1138778552 /nfs/dbraw/zinc/77/85/52/1138778552.db2.gz BVEJERZCXDTHDY-UHFFFAOYSA-N 1 1 335.451 3.637 20 30 EHEDMO Cc1cccc(C)c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000137430358 1138851805 /nfs/dbraw/zinc/85/18/05/1138851805.db2.gz OULJRRCURSBIKO-UHFFFAOYSA-N 1 1 347.462 3.523 20 30 EHEDMO Cc1cccc(C)c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000137430358 1138851812 /nfs/dbraw/zinc/85/18/12/1138851812.db2.gz OULJRRCURSBIKO-UHFFFAOYSA-N 1 1 347.462 3.523 20 30 EHEDMO C#CCCOc1ccc(C[NH2+][C@@H](COC)c2ccc(CC)o2)cc1 ZINC000174478159 1139423232 /nfs/dbraw/zinc/42/32/32/1139423232.db2.gz PPGCZVZPZSXHBQ-IBGZPJMESA-N 1 1 327.424 3.721 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(C)s1 ZINC000175254873 1139476512 /nfs/dbraw/zinc/47/65/12/1139476512.db2.gz LQZAMAUICKWOJM-UONOGXRCSA-N 1 1 349.525 3.767 20 30 EHEDMO Cc1nn(C)c(Cl)c1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177714956 1139635825 /nfs/dbraw/zinc/63/58/25/1139635825.db2.gz JNOQVDOVEPAWSW-UHFFFAOYSA-N 1 1 341.764 3.542 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(F)c2F)c(C#N)c1C ZINC000181995516 1139944372 /nfs/dbraw/zinc/94/43/72/1139944372.db2.gz YQNQDCOBIMSMJA-MNOVXSKESA-N 1 1 347.365 3.724 20 30 EHEDMO C[N@@H+](CCc1ccncc1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000183755668 1140057053 /nfs/dbraw/zinc/05/70/53/1140057053.db2.gz MPPDVUSVOBLXAH-UHFFFAOYSA-N 1 1 345.450 3.533 20 30 EHEDMO C[C@H](NCc1ccc(Cl)cc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000187490151 1140257606 /nfs/dbraw/zinc/25/76/06/1140257606.db2.gz BIJRNHDCPJUUGL-GOEBONIOSA-N 1 1 331.891 3.954 20 30 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CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000441068701 1021965741 /nfs/dbraw/zinc/96/57/41/1021965741.db2.gz CZFFNDJOKBUUIQ-PLMTUMEDSA-N 1 1 341.499 3.555 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026323891 1033024943 /nfs/dbraw/zinc/02/49/43/1033024943.db2.gz WWVQMBTWMYUTGH-CYBMUJFWSA-N 1 1 327.815 3.671 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026323891 1033024957 /nfs/dbraw/zinc/02/49/57/1033024957.db2.gz WWVQMBTWMYUTGH-CYBMUJFWSA-N 1 1 327.815 3.671 20 30 EHEDMO CN(C)c1nc(C(F)(F)F)ccc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000891604945 1022080734 /nfs/dbraw/zinc/08/07/34/1022080734.db2.gz ULRMBDIPQYQVIL-UHFFFAOYSA-N 1 1 348.372 3.670 20 30 EHEDMO CN(C)c1nc(C(F)(F)F)ccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000891604945 1022080747 /nfs/dbraw/zinc/08/07/47/1022080747.db2.gz ULRMBDIPQYQVIL-UHFFFAOYSA-N 1 1 348.372 3.670 20 30 EHEDMO C=CCOc1ccccc1C[NH2+][C@@H]1CCOc2ccc(OC)cc21 ZINC000341540981 1022201895 /nfs/dbraw/zinc/20/18/95/1022201895.db2.gz WATXDCBOMVDELD-GOSISDBHSA-N 1 1 325.408 3.873 20 30 EHEDMO Cc1ccc([C@H]2CSCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000156423797 1022213990 /nfs/dbraw/zinc/21/39/90/1022213990.db2.gz DGVYNAOCBUUOFM-UXHICEINSA-N 1 1 338.476 3.690 20 30 EHEDMO CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000026465398 1033052865 /nfs/dbraw/zinc/05/28/65/1033052865.db2.gz CLYHIUXDQIAHNG-ZDUSSCGKSA-N 1 1 333.501 3.948 20 30 EHEDMO C=C(C)CN(CC)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000120396979 1022460507 /nfs/dbraw/zinc/46/05/07/1022460507.db2.gz REQRCJLEWMLJMK-INIZCTEOSA-N 1 1 335.517 3.568 20 30 EHEDMO CN(C[C@@H]1CCC[N@@H+](Cc2csc(C#N)c2)C1)C(=O)OC(C)(C)C ZINC000891736994 1022487841 /nfs/dbraw/zinc/48/78/41/1022487841.db2.gz UAWOHFGXBVTOOE-AWEZNQCLSA-N 1 1 349.500 3.699 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000330904706 1022706579 /nfs/dbraw/zinc/70/65/79/1022706579.db2.gz ZBDDOVITYYWGLD-ILXRZTDVSA-N 1 1 346.500 3.508 20 30 EHEDMO C[C@@H]1C[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000330918267 1022720554 /nfs/dbraw/zinc/72/05/54/1022720554.db2.gz XAPBBMKMAJDWAR-TZMCWYRMSA-N 1 1 333.432 3.680 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000438494993 1022722669 /nfs/dbraw/zinc/72/26/69/1022722669.db2.gz UMTKPPBNQFXPLB-IERDGZPVSA-N 1 1 333.435 3.549 20 30 EHEDMO CC(C)CCn1ncc(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1C(C)C ZINC000331098754 1022741777 /nfs/dbraw/zinc/74/17/77/1022741777.db2.gz DTMUSFWUEMORET-HOTGVXAUSA-N 1 1 349.523 3.623 20 30 EHEDMO CC(C)CCn1ncc(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1C(C)C ZINC000331098755 1022741928 /nfs/dbraw/zinc/74/19/28/1022741928.db2.gz DTMUSFWUEMORET-HZPDHXFCSA-N 1 1 349.523 3.623 20 30 EHEDMO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccc2ccccc2c1)C1CC1)C1CC1 ZINC000517853214 1022754381 /nfs/dbraw/zinc/75/43/81/1022754381.db2.gz DSGHPOWOHGQWGR-QFIPXVFZSA-N 1 1 347.462 3.613 20 30 EHEDMO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccc2ccccc2c1)C1CC1)C1CC1 ZINC000517853214 1022754394 /nfs/dbraw/zinc/75/43/94/1022754394.db2.gz DSGHPOWOHGQWGR-QFIPXVFZSA-N 1 1 347.462 3.613 20 30 EHEDMO Cc1cc(C)c(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c(C)n1 ZINC000331240239 1022778176 /nfs/dbraw/zinc/77/81/76/1022778176.db2.gz PARUXLBUURRYEM-CYBMUJFWSA-N 1 1 332.492 3.843 20 30 EHEDMO CCOc1cc(C[N@H+](C)Cc2cc(C#N)cs2)ccc1[N+](=O)[O-] ZINC000933772371 1022968341 /nfs/dbraw/zinc/96/83/41/1022968341.db2.gz PHNGUXIWEPYMDU-UHFFFAOYSA-N 1 1 331.397 3.559 20 30 EHEDMO CCOc1cc(C[N@@H+](C)Cc2cc(C#N)cs2)ccc1[N+](=O)[O-] ZINC000933772371 1022968350 /nfs/dbraw/zinc/96/83/50/1022968350.db2.gz PHNGUXIWEPYMDU-UHFFFAOYSA-N 1 1 331.397 3.559 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2cccc(NCc3cc(C#N)cs3)c2)C[C@H](C)O1 ZINC000151200208 1022979845 /nfs/dbraw/zinc/97/98/45/1022979845.db2.gz GQXMGTQWQHXYLY-GASCZTMLSA-N 1 1 341.480 3.841 20 30 EHEDMO C[C@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000438842473 1023049093 /nfs/dbraw/zinc/04/90/93/1023049093.db2.gz PTJZQCYMWHTPOS-ZHALLVOQSA-N 1 1 342.487 3.594 20 30 EHEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc(Br)c1[O-] ZINC000093101207 1023093629 /nfs/dbraw/zinc/09/36/29/1023093629.db2.gz NZXGBNZGCXRVNE-UHFFFAOYSA-N 1 1 325.250 3.916 20 30 EHEDMO CC(C)CC[C@@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001168112359 1033105891 /nfs/dbraw/zinc/10/58/91/1033105891.db2.gz IVXCAXCYFANLNZ-AZUAARDMSA-N 1 1 339.483 3.954 20 30 EHEDMO CC(C)CC[C@@H]1CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001168112366 1033106520 /nfs/dbraw/zinc/10/65/20/1033106520.db2.gz IVXCAXCYFANLNZ-ICSRJNTNSA-N 1 1 339.483 3.954 20 30 EHEDMO C=CCC[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000426996740 1023159633 /nfs/dbraw/zinc/15/96/33/1023159633.db2.gz DJBWHRPEZPYVTH-UYAOXDASSA-N 1 1 326.484 3.870 20 30 EHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CC#Cc2ccc(F)cc2)C1 ZINC000438999153 1023211644 /nfs/dbraw/zinc/21/16/44/1023211644.db2.gz JVRHJNZPNOEFAG-DBOLQNLKSA-N 1 1 329.459 3.829 20 30 EHEDMO Cc1ccc(C)c(NC(=O)CO[NH+]=C(N)CCCc2ccccc2)c1 ZINC000060875479 1033138550 /nfs/dbraw/zinc/13/85/50/1033138550.db2.gz PGLYVKCBHMGBII-UHFFFAOYSA-N 1 1 339.439 3.554 20 30 EHEDMO COc1ccc(OCC[N@H+](C)Cc2ccc(Cl)cc2C#N)cc1 ZINC000480491585 1033141985 /nfs/dbraw/zinc/14/19/85/1033141985.db2.gz DKWNPDOPIPTWFN-UHFFFAOYSA-N 1 1 330.815 3.731 20 30 EHEDMO COc1ccc(OCC[N@@H+](C)Cc2ccc(Cl)cc2C#N)cc1 ZINC000480491585 1033141995 /nfs/dbraw/zinc/14/19/95/1033141995.db2.gz DKWNPDOPIPTWFN-UHFFFAOYSA-N 1 1 330.815 3.731 20 30 EHEDMO C#CCCOc1ccc(C[NH2+][C@@H](C)c2nnc([C@@H](C)CC)[nH]2)cc1 ZINC000277152977 1023886669 /nfs/dbraw/zinc/88/66/69/1023886669.db2.gz FVZIGYIDXRLJIJ-GJZGRUSLSA-N 1 1 326.444 3.571 20 30 EHEDMO C=CC[N@@H+](CCC(=O)N1CCc2ccccc21)Cc1cccc(C#N)c1 ZINC000063300269 1033172203 /nfs/dbraw/zinc/17/22/03/1033172203.db2.gz VPRYDYIEQYSBBP-UHFFFAOYSA-N 1 1 345.446 3.526 20 30 EHEDMO Cc1nc(C)c(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000329646628 1023975293 /nfs/dbraw/zinc/97/52/93/1023975293.db2.gz ZVZPHJYBLLHLBD-MLGOLLRUSA-N 1 1 344.484 3.606 20 30 EHEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000513965806 1024012397 /nfs/dbraw/zinc/01/23/97/1024012397.db2.gz GDCPWAFLGAGMRM-INIZCTEOSA-N 1 1 333.426 3.896 20 30 EHEDMO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C1CCC(C(C)(C)C)CC1 ZINC000514088476 1024123949 /nfs/dbraw/zinc/12/39/49/1024123949.db2.gz LNDDBMXQZPCUBU-UHFFFAOYSA-N 1 1 341.499 3.711 20 30 EHEDMO Cc1nc(C)c(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000329715120 1024128495 /nfs/dbraw/zinc/12/84/95/1024128495.db2.gz UMKBGMRZRXRZIW-RISCZKNCSA-N 1 1 336.505 3.739 20 30 EHEDMO C=CCCCCNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000474089717 1024130488 /nfs/dbraw/zinc/13/04/88/1024130488.db2.gz OJJSGVGVDXIMBK-IBGZPJMESA-N 1 1 329.488 3.649 20 30 EHEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000329812513 1024206107 /nfs/dbraw/zinc/20/61/07/1024206107.db2.gz SBUSXSJXMADIRF-BZNIZROVSA-N 1 1 344.846 3.517 20 30 EHEDMO CC(=O)Nc1ccccc1CC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000329866714 1024226529 /nfs/dbraw/zinc/22/65/29/1024226529.db2.gz BGBCOYZDUOVYKD-MRXNPFEDSA-N 1 1 329.444 3.810 20 30 EHEDMO Cc1nc(CC(C)C)c(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)s1 ZINC000329919947 1024248112 /nfs/dbraw/zinc/24/81/12/1024248112.db2.gz GQIPFFPKGYUCDI-HIFRSBDPSA-N 1 1 336.505 3.603 20 30 EHEDMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@H](C)C#N)cc1)C[C@@H]1CCCCO1 ZINC000342159139 1024258721 /nfs/dbraw/zinc/25/87/21/1024258721.db2.gz SSJVDMQUNLUIAY-APWZRJJASA-N 1 1 343.471 3.564 20 30 EHEDMO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000330202696 1024352117 /nfs/dbraw/zinc/35/21/17/1024352117.db2.gz ZQCAIEUNBIJDCE-HZPDHXFCSA-N 1 1 344.846 3.602 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000443660960 1024375182 /nfs/dbraw/zinc/37/51/82/1024375182.db2.gz ZTIZTHVWFDAIIR-BRWVUGGUSA-N 1 1 345.462 3.829 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1cccc(C#N)c1 ZINC000026328973 1033206624 /nfs/dbraw/zinc/20/66/24/1033206624.db2.gz QWDAEUUWMMHATD-UHFFFAOYSA-N 1 1 327.815 3.672 20 30 EHEDMO Cc1cc(C#N)cc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)n1 ZINC000342209377 1024406971 /nfs/dbraw/zinc/40/69/71/1024406971.db2.gz RWWSNRVQVWHVBN-HNNXBMFYSA-N 1 1 342.393 3.616 20 30 EHEDMO Cc1cc(C#N)cc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)n1 ZINC000342209377 1024406979 /nfs/dbraw/zinc/40/69/79/1024406979.db2.gz RWWSNRVQVWHVBN-HNNXBMFYSA-N 1 1 342.393 3.616 20 30 EHEDMO Cc1oc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C(C)C)c(C#N)c1C ZINC000434769995 1024418682 /nfs/dbraw/zinc/41/86/82/1024418682.db2.gz XYBZZERRQHJQMJ-UHFFFAOYSA-N 1 1 343.402 3.756 20 30 EHEDMO Cc1oc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C(C)C)c(C#N)c1C ZINC000434769995 1024418688 /nfs/dbraw/zinc/41/86/88/1024418688.db2.gz XYBZZERRQHJQMJ-UHFFFAOYSA-N 1 1 343.402 3.756 20 30 EHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000330290625 1024427440 /nfs/dbraw/zinc/42/74/40/1024427440.db2.gz FYWQZBFOAYEVND-LLVKDONJSA-N 1 1 331.338 3.659 20 30 EHEDMO Cc1cc(C)n(-c2ccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)cn2)n1 ZINC000330296420 1024446893 /nfs/dbraw/zinc/44/68/93/1024446893.db2.gz KCVCJSLJBZMMQV-KRWDZBQOSA-N 1 1 341.459 3.737 20 30 EHEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000434892453 1024478175 /nfs/dbraw/zinc/47/81/75/1024478175.db2.gz RPKIDGQUMODHTC-DNVCBOLYSA-N 1 1 344.418 3.986 20 30 EHEDMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000579593582 1024534907 /nfs/dbraw/zinc/53/49/07/1024534907.db2.gz UYZRTGLEZABQRY-VQTJNVASSA-N 1 1 345.450 3.759 20 30 EHEDMO Cc1ccc([C@@]2(C)CC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)cc1 ZINC000435037583 1024560990 /nfs/dbraw/zinc/56/09/90/1024560990.db2.gz OLFLIQQYPDZKSH-NRFANRHFSA-N 1 1 330.435 3.678 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cscc2C#N)cc1 ZINC000342271967 1024675124 /nfs/dbraw/zinc/67/51/24/1024675124.db2.gz MFDIONLQYCZPSW-LBPRGKRZSA-N 1 1 336.420 3.605 20 30 EHEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1c(CCCC)oc2ccccc21 ZINC000514710851 1024688527 /nfs/dbraw/zinc/68/85/27/1024688527.db2.gz IZPLJJFKDCKNEM-OAHLLOKOSA-N 1 1 328.456 3.898 20 30 EHEDMO C[C@@H]1C[C@H](C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC(=O)N1 ZINC000330317109 1024700521 /nfs/dbraw/zinc/70/05/21/1024700521.db2.gz QGPZGJZCBVBCLH-OXFYSEKESA-N 1 1 343.471 3.753 20 30 EHEDMO COCC[N@@H+](C)CC[C@@H](Nc1ccc(C#N)cc1F)c1ccccc1 ZINC000505631822 1024701789 /nfs/dbraw/zinc/70/17/89/1024701789.db2.gz KCIVTUBCMKGDDL-LJQANCHMSA-N 1 1 341.430 3.819 20 30 EHEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)c1 ZINC000602884146 1033234192 /nfs/dbraw/zinc/23/41/92/1033234192.db2.gz CBJCMPJGCXGIGH-INIZCTEOSA-N 1 1 332.382 3.630 20 30 EHEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000346493482 1024802247 /nfs/dbraw/zinc/80/22/47/1024802247.db2.gz LIRHQWQFMCSDQF-QGZVFWFLSA-N 1 1 347.462 3.742 20 30 EHEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000346493482 1024802269 /nfs/dbraw/zinc/80/22/69/1024802269.db2.gz LIRHQWQFMCSDQF-QGZVFWFLSA-N 1 1 347.462 3.742 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602890038 1033244589 /nfs/dbraw/zinc/24/45/89/1033244589.db2.gz YJGGDFYMIZLUJT-IBGZPJMESA-N 1 1 328.419 3.799 20 30 EHEDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1ccc(C#N)cc1F ZINC000025438638 1024959646 /nfs/dbraw/zinc/95/96/46/1024959646.db2.gz QWKAULSEWRMXAS-UHFFFAOYSA-N 1 1 328.387 3.737 20 30 EHEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1ccc(C#N)cc1F ZINC000025438638 1024959656 /nfs/dbraw/zinc/95/96/56/1024959656.db2.gz QWKAULSEWRMXAS-UHFFFAOYSA-N 1 1 328.387 3.737 20 30 EHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cc2ccc(F)cc2[nH]1 ZINC000561983912 1025009861 /nfs/dbraw/zinc/00/98/61/1025009861.db2.gz ZSKSQXLQOQIWKG-UHFFFAOYSA-N 1 1 337.398 3.827 20 30 EHEDMO COc1cc(C#N)ccc1CN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000185440458 1025064879 /nfs/dbraw/zinc/06/48/79/1025064879.db2.gz QYWWSUWJFJVYMJ-OAHLLOKOSA-N 1 1 341.480 3.507 20 30 EHEDMO C=CCC[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C)c1ccccc1 ZINC000435761366 1025125024 /nfs/dbraw/zinc/12/50/24/1025125024.db2.gz MJAPBNAPEBICNQ-OALUTQOASA-N 1 1 329.488 3.676 20 30 EHEDMO N#Cc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000352835611 1025127999 /nfs/dbraw/zinc/12/79/99/1025127999.db2.gz YKRJVWJEJUPTLM-JOCHJYFZSA-N 1 1 331.463 3.656 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC2(CC2)CC1 ZINC000366634030 1025129029 /nfs/dbraw/zinc/12/90/29/1025129029.db2.gz TZWKHSOFIUJOKD-OAHLLOKOSA-N 1 1 343.496 3.895 20 30 EHEDMO COc1ccc(C#N)cc1CN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000185462628 1025130040 /nfs/dbraw/zinc/13/00/40/1025130040.db2.gz KHGWAXLRXIYOBZ-OAHLLOKOSA-N 1 1 341.480 3.507 20 30 EHEDMO CC[C@H]1CCCC[N@H+]1CCNCc1cccc(OCCCC#N)c1 ZINC000113345503 1025147703 /nfs/dbraw/zinc/14/77/03/1025147703.db2.gz SWRASELYXGFTLF-IBGZPJMESA-N 1 1 329.488 3.723 20 30 EHEDMO CC[C@H]1CCCCN1CC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000113345503 1025147707 /nfs/dbraw/zinc/14/77/07/1025147707.db2.gz SWRASELYXGFTLF-IBGZPJMESA-N 1 1 329.488 3.723 20 30 EHEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000173387451 1033269208 /nfs/dbraw/zinc/26/92/08/1033269208.db2.gz CGBSMLWAZLCLST-HNAYVOBHSA-N 1 1 337.471 3.983 20 30 EHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(C#N)ccc2F)C1 ZINC000439012968 1025403211 /nfs/dbraw/zinc/40/32/11/1025403211.db2.gz VRPPNENONBDYAY-UDDICAGYSA-N 1 1 330.447 3.849 20 30 EHEDMO C=CCOc1ccccc1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000303535302 1025474386 /nfs/dbraw/zinc/47/43/86/1025474386.db2.gz SMMDTBFFEXNRKO-FQEVSTJZSA-N 1 1 338.451 3.561 20 30 EHEDMO C[C@H](c1cccc(NCc2ccc(CC#N)cc2)c1)[NH+]1CCOCC1 ZINC000342445421 1025544815 /nfs/dbraw/zinc/54/48/15/1025544815.db2.gz WSHPDWYTMYNHLV-QGZVFWFLSA-N 1 1 335.451 3.758 20 30 EHEDMO C[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC12CCC2 ZINC000329136697 1025622232 /nfs/dbraw/zinc/62/22/32/1025622232.db2.gz HDXWWOGJRLSYNL-HNNXBMFYSA-N 1 1 344.455 3.948 20 30 EHEDMO Cc1ccccc1[C@H]([C@@H](C)NCc1ccc(C#N)cc1F)[NH+](C)C ZINC000443002115 1025647784 /nfs/dbraw/zinc/64/77/84/1025647784.db2.gz RZCSZCIBKOEGPF-QRWLVFNGSA-N 1 1 325.431 3.787 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000425532441 1025658566 /nfs/dbraw/zinc/65/85/66/1025658566.db2.gz BSPHURISBCWZBB-KBXCAEBGSA-N 1 1 344.842 3.644 20 30 EHEDMO C[N@H+](Cc1cccc(OCCCC#N)c1)Cc1ccccc1[N+](=O)[O-] ZINC000179315462 1025679529 /nfs/dbraw/zinc/67/95/29/1025679529.db2.gz DJPOBJBFFJCYLN-UHFFFAOYSA-N 1 1 339.395 3.909 20 30 EHEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)Cc1ccccc1[N+](=O)[O-] ZINC000179315462 1025679541 /nfs/dbraw/zinc/67/95/41/1025679541.db2.gz DJPOBJBFFJCYLN-UHFFFAOYSA-N 1 1 339.395 3.909 20 30 EHEDMO Cc1ccnc(C)c1[NH+]=C([O-])N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329234545 1025683403 /nfs/dbraw/zinc/68/34/03/1025683403.db2.gz HXAAUKZMDJSXOA-AWEZNQCLSA-N 1 1 341.459 3.533 20 30 EHEDMO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425536450 1025687008 /nfs/dbraw/zinc/68/70/08/1025687008.db2.gz OOWOBAHPJQEUFH-ROUUACIJSA-N 1 1 349.478 3.607 20 30 EHEDMO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425536450 1025687017 /nfs/dbraw/zinc/68/70/17/1025687017.db2.gz OOWOBAHPJQEUFH-ROUUACIJSA-N 1 1 349.478 3.607 20 30 EHEDMO O=C(Nc1cccc2c1OCCC2=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000329322331 1025753245 /nfs/dbraw/zinc/75/32/45/1025753245.db2.gz JMJKSIITRWANFE-MRXNPFEDSA-N 1 1 328.412 3.647 20 30 EHEDMO O=C(Nc1cccc2c1OCCC2=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000329322331 1025753257 /nfs/dbraw/zinc/75/32/57/1025753257.db2.gz JMJKSIITRWANFE-MRXNPFEDSA-N 1 1 328.412 3.647 20 30 EHEDMO C[C@H](C(=O)NC1CCCC1)[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000329349480 1025771042 /nfs/dbraw/zinc/77/10/42/1025771042.db2.gz SRIXGMUCPYYGOD-PBHICJAKSA-N 1 1 326.444 3.571 20 30 EHEDMO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)nc1 ZINC000896654512 1025811354 /nfs/dbraw/zinc/81/13/54/1025811354.db2.gz MYEYRGRFUUWXBN-SFHVURJKSA-N 1 1 343.434 3.578 20 30 EHEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1sccc1C#N ZINC000347287408 1025832850 /nfs/dbraw/zinc/83/28/50/1025832850.db2.gz HZEMVDPXBDOLBH-QGZVFWFLSA-N 1 1 341.480 3.506 20 30 EHEDMO CCc1ccccc1NC(=O)[C@H](C)N1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000329430052 1025842302 /nfs/dbraw/zinc/84/23/02/1025842302.db2.gz IBAWCYQSPAMGOI-XJKSGUPXSA-N 1 1 341.459 3.532 20 30 EHEDMO CCc1ccccc1NC(=O)[C@H](C)N1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000329430052 1025842325 /nfs/dbraw/zinc/84/23/25/1025842325.db2.gz IBAWCYQSPAMGOI-XJKSGUPXSA-N 1 1 341.459 3.532 20 30 EHEDMO C[C@@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)c1ccc(C#N)cc1F ZINC000611587523 1025861633 /nfs/dbraw/zinc/86/16/33/1025861633.db2.gz FDAFHFPJEUCRRL-FOIQADDNSA-N 1 1 334.398 3.986 20 30 EHEDMO CC(C)(C#N)CCCC[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000277547434 1025862785 /nfs/dbraw/zinc/86/27/85/1025862785.db2.gz BUMOJLIPSUEUAG-UHFFFAOYSA-N 1 1 347.890 3.818 20 30 EHEDMO C[C@@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)c1ccc(C#N)cc1F ZINC000611587532 1025863918 /nfs/dbraw/zinc/86/39/18/1025863918.db2.gz FDAFHFPJEUCRRL-QRWLVFNGSA-N 1 1 334.398 3.986 20 30 EHEDMO COc1cccc([C@@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)c1 ZINC000281985403 1025878571 /nfs/dbraw/zinc/87/85/71/1025878571.db2.gz MJTJEKFCXFKCLU-IBGZPJMESA-N 1 1 328.456 3.933 20 30 EHEDMO N#C[C@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CC1 ZINC000329479680 1025899887 /nfs/dbraw/zinc/89/98/87/1025899887.db2.gz QNSRZDRIWKGNSP-WBVHZDCISA-N 1 1 326.444 3.752 20 30 EHEDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000451422249 1025960872 /nfs/dbraw/zinc/96/08/72/1025960872.db2.gz TYTOENBVTZFAIP-ZYHUDNBSSA-N 1 1 345.390 3.611 20 30 EHEDMO CCOc1cc2c(cc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)O[C@H](C)C2 ZINC000329592355 1026041535 /nfs/dbraw/zinc/04/15/35/1026041535.db2.gz UIGHNUAWIMLVOS-HZSPNIEDSA-N 1 1 332.444 3.870 20 30 EHEDMO C=CCCn1cc(CNc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)nn1 ZINC000657418731 1026152689 /nfs/dbraw/zinc/15/26/89/1026152689.db2.gz RTKYQKKESGUQJL-UHFFFAOYSA-N 1 1 338.459 3.651 20 30 EHEDMO COCCOCC[N@@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000277597746 1026243004 /nfs/dbraw/zinc/24/30/04/1026243004.db2.gz FAOZWHBIWFHSSZ-UHFFFAOYSA-N 1 1 332.488 3.872 20 30 EHEDMO FC1(F)[C@@H]2C[NH+](Cc3ccoc3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897054007 1026280077 /nfs/dbraw/zinc/28/00/77/1026280077.db2.gz GOPJFRDRDKCCOT-RKDXNWHRSA-N 1 1 349.221 3.882 20 30 EHEDMO COCCOCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1C ZINC000186256160 1026359806 /nfs/dbraw/zinc/35/98/06/1026359806.db2.gz DPBHXLVFNRGWSZ-UHFFFAOYSA-N 1 1 338.451 3.532 20 30 EHEDMO CC[N@@H+](Cc1ccc(-n2cncn2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000119876330 1026405316 /nfs/dbraw/zinc/40/53/16/1026405316.db2.gz BMBROVMEPYPFRG-MRXNPFEDSA-N 1 1 331.423 3.722 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC000897247586 1026564905 /nfs/dbraw/zinc/56/49/05/1026564905.db2.gz BGOXEHFXDDUCKM-VQIMIIECSA-N 1 1 335.492 3.792 20 30 EHEDMO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1)C1CCCCC1)C1CC1 ZINC000054255649 1026573344 /nfs/dbraw/zinc/57/33/44/1026573344.db2.gz JQUNUGPCJSFRJT-NRFANRHFSA-N 1 1 339.483 3.630 20 30 EHEDMO C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000479462567 1026628758 /nfs/dbraw/zinc/62/87/58/1026628758.db2.gz GMYQFXPTQAYZLK-APWZRJJASA-N 1 1 337.442 3.870 20 30 EHEDMO C=CCCN(C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000466975221 1026665929 /nfs/dbraw/zinc/66/59/29/1026665929.db2.gz OIJUJQOAFVOOFW-QGZVFWFLSA-N 1 1 329.488 3.636 20 30 EHEDMO N#Cc1c(Cl)cccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000023994650 1026772898 /nfs/dbraw/zinc/77/28/98/1026772898.db2.gz RHLHIUFYMZLRDE-MRXNPFEDSA-N 1 1 341.842 3.525 20 30 EHEDMO N#Cc1c(Cl)cccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000023994650 1026772906 /nfs/dbraw/zinc/77/29/06/1026772906.db2.gz RHLHIUFYMZLRDE-MRXNPFEDSA-N 1 1 341.842 3.525 20 30 EHEDMO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000472239678 1026903462 /nfs/dbraw/zinc/90/34/62/1026903462.db2.gz LMXYJCIVKUYGHN-HXUWFJFHSA-N 1 1 341.499 3.791 20 30 EHEDMO C=CCC[N@H+](C)CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000342739286 1026913747 /nfs/dbraw/zinc/91/37/47/1026913747.db2.gz UWJHRYKVVOFGHC-NRFANRHFSA-N 1 1 334.463 3.669 20 30 EHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000153001229 1026930169 /nfs/dbraw/zinc/93/01/69/1026930169.db2.gz KSWNMADLMUCMQI-QGZVFWFLSA-N 1 1 341.499 3.505 20 30 EHEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000531615083 1027118130 /nfs/dbraw/zinc/11/81/30/1027118130.db2.gz ZCCLGURZHLLROT-AWEZNQCLSA-N 1 1 332.419 3.641 20 30 EHEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000531615083 1027118146 /nfs/dbraw/zinc/11/81/46/1027118146.db2.gz ZCCLGURZHLLROT-AWEZNQCLSA-N 1 1 332.419 3.641 20 30 EHEDMO C=CCN(Cc1ccccc1)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000501500092 1027320950 /nfs/dbraw/zinc/32/09/50/1027320950.db2.gz CGOPPUFQTXRTER-MSOLQXFVSA-N 1 1 329.488 3.505 20 30 EHEDMO C=CCN(Cc1ccccc1)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000501553725 1027364747 /nfs/dbraw/zinc/36/47/47/1027364747.db2.gz TXWBSZFZDFIMMA-MSOLQXFVSA-N 1 1 329.488 3.647 20 30 EHEDMO Fc1ccc(Cl)c(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000588547068 1027367319 /nfs/dbraw/zinc/36/73/19/1027367319.db2.gz JAHLULNSTUSCQN-UHFFFAOYSA-N 1 1 348.805 3.866 20 30 EHEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1C ZINC000501773047 1027520344 /nfs/dbraw/zinc/52/03/44/1027520344.db2.gz KFMVVZKHOHMHCO-KGLIPLIRSA-N 1 1 345.512 3.805 20 30 EHEDMO C[C@@H](CNc1snc(Cl)c1C#N)[N@@H+]1CCc2sccc2C1 ZINC000051903085 1027656135 /nfs/dbraw/zinc/65/61/35/1027656135.db2.gz QOQVHQNXGPDQAR-VIFPVBQESA-N 1 1 338.889 3.588 20 30 EHEDMO C[C@@H](CNc1snc(Cl)c1C#N)[N@H+]1CCc2sccc2C1 ZINC000051903085 1027656137 /nfs/dbraw/zinc/65/61/37/1027656137.db2.gz QOQVHQNXGPDQAR-VIFPVBQESA-N 1 1 338.889 3.588 20 30 EHEDMO N#CC1(c2ccccc2)CCC([NH2+]C2CC(N3CCCCC3)C2)CC1 ZINC000475580770 1027700566 /nfs/dbraw/zinc/70/05/66/1027700566.db2.gz DIDXDOCVZGAXLA-UHFFFAOYSA-N 1 1 337.511 3.997 20 30 EHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)ccc1F ZINC000282008182 1027724684 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CC[N@@H+](Cc1ccc(C(=O)N[C@@](C)(C#N)CC(C)C)cc1)C(C)C ZINC000504559791 1028738581 /nfs/dbraw/zinc/73/85/81/1028738581.db2.gz CBXWCVYRAFJSGX-HXUWFJFHSA-N 1 1 329.488 3.975 20 30 EHEDMO C=CCn1cc(C[NH2+][C@H](CCC(C)C)c2ccc(OC)cc2)nn1 ZINC000424293242 1028932937 /nfs/dbraw/zinc/93/29/37/1028932937.db2.gz IGGQECVGNYYEQD-LJQANCHMSA-N 1 1 328.460 3.740 20 30 EHEDMO C=CCn1cc(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)nn1 ZINC000424289806 1028933757 /nfs/dbraw/zinc/93/37/57/1028933757.db2.gz AJCYVRFUSBCHTR-INIZCTEOSA-N 1 1 336.361 3.724 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000248675712 1028936983 /nfs/dbraw/zinc/93/69/83/1028936983.db2.gz CUYJYLRDWUZKMQ-IERDGZPVSA-N 1 1 334.419 3.609 20 30 EHEDMO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccc2ccccc2c1 ZINC000516745988 1029298515 /nfs/dbraw/zinc/29/85/15/1029298515.db2.gz AEZYLLFECQWLJW-NRFANRHFSA-N 1 1 337.467 3.716 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c1C#N ZINC000535978125 1029450181 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325.500 3.913 20 30 EHEDMO Cc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(Cl)c1 ZINC000428817080 1036957969 /nfs/dbraw/zinc/95/79/69/1036957969.db2.gz YYWRCZSTLSDSRA-INIZCTEOSA-N 1 1 327.815 3.568 20 30 EHEDMO CC1CCC([N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C2CC2)CC1 ZINC000052103963 1037104440 /nfs/dbraw/zinc/10/44/40/1037104440.db2.gz LPCZWBWAUQVAJO-OUNSHVDWSA-N 1 1 342.483 3.535 20 30 EHEDMO CC(C)CC[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610753038 1037105335 /nfs/dbraw/zinc/10/53/35/1037105335.db2.gz ZYLUUZRYVMQCRM-WOJBJXKFSA-N 1 1 344.499 3.783 20 30 EHEDMO N#Cc1ccc(O[C@H]2CC[N@H+]([C@H]3CCCc4ccc(F)cc43)C2)nc1 ZINC000428795545 1037171986 /nfs/dbraw/zinc/17/19/86/1037171986.db2.gz XACKVLIRKBCYOC-HKUYNNGSSA-N 1 1 337.398 3.623 20 30 EHEDMO Cc1ccccc1[C@H](C)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000610842193 1037244031 /nfs/dbraw/zinc/24/40/31/1037244031.db2.gz OMMAJKJBWYVVKE-HNNXBMFYSA-N 1 1 336.439 3.615 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)COc1c(C)cccc1C ZINC000057950385 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ZINC000512580012 1040190469 /nfs/dbraw/zinc/19/04/69/1040190469.db2.gz YOUCHWPYMNISED-GOSISDBHSA-N 1 1 331.847 3.977 20 30 EHEDMO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000512623225 1040293552 /nfs/dbraw/zinc/29/35/52/1040293552.db2.gz DRNPNTLJSFKZME-NSHDSACASA-N 1 1 331.778 3.640 20 30 EHEDMO C[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H]1c1ccccc1 ZINC000490055355 1040326732 /nfs/dbraw/zinc/32/67/32/1040326732.db2.gz BTHLSTUCPLNUFM-HBGVWJBISA-N 1 1 345.446 3.747 20 30 EHEDMO C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCN1CC(F)(F)F ZINC000614179005 1040372306 /nfs/dbraw/zinc/37/23/06/1040372306.db2.gz ZYOCIJVNQVECPO-AWEZNQCLSA-N 1 1 339.405 3.556 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCN1CC(F)(F)F ZINC000614179005 1040372324 /nfs/dbraw/zinc/37/23/24/1040372324.db2.gz ZYOCIJVNQVECPO-AWEZNQCLSA-N 1 1 339.405 3.556 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)cc(OC)c1O ZINC000668684818 1040477950 /nfs/dbraw/zinc/47/79/50/1040477950.db2.gz 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C[N@@H+]1CC[C@@H](Nc2snc(Cl)c2C#N)[C@@H]1c1ccc(F)cc1 ZINC000092688590 1040687584 /nfs/dbraw/zinc/68/75/84/1040687584.db2.gz LPTVDSMFYUZHDG-OLZOCXBDSA-N 1 1 336.823 3.665 20 30 EHEDMO C[N@H+]1CC[C@@H](Nc2snc(Cl)c2C#N)[C@@H]1c1ccc(F)cc1 ZINC000092688590 1040687595 /nfs/dbraw/zinc/68/75/95/1040687595.db2.gz LPTVDSMFYUZHDG-OLZOCXBDSA-N 1 1 336.823 3.665 20 30 EHEDMO C[C@@]1(c2ccccc2)CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000500215207 1040738404 /nfs/dbraw/zinc/73/84/04/1040738404.db2.gz WYJKWXPZNREAQQ-OAQYLSRUSA-N 1 1 333.435 3.550 20 30 EHEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000500215207 1040738421 /nfs/dbraw/zinc/73/84/21/1040738421.db2.gz WYJKWXPZNREAQQ-OAQYLSRUSA-N 1 1 333.435 3.550 20 30 EHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000500220285 1040753045 /nfs/dbraw/zinc/75/30/45/1040753045.db2.gz WAFJOLJNYOFUQX-ICSRJNTNSA-N 1 1 326.484 3.530 20 30 EHEDMO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(-c3ccccc3)c(Cl)c2)C1 ZINC000600167658 1040753544 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Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)CC2CCC2)ccc1Cl ZINC000111296171 1041551798 /nfs/dbraw/zinc/55/17/98/1041551798.db2.gz GUTWIRJEQAUQIA-UHFFFAOYSA-N 1 1 333.863 3.627 20 30 EHEDMO C#Cc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cn1 ZINC000728815367 1041986121 /nfs/dbraw/zinc/98/61/21/1041986121.db2.gz XTMNTHSJDOWJBO-INIZCTEOSA-N 1 1 333.435 3.547 20 30 EHEDMO C=C(CC)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000661288900 1042051040 /nfs/dbraw/zinc/05/10/40/1042051040.db2.gz CSLAFRILMQCSRQ-LJQANCHMSA-N 1 1 341.499 3.554 20 30 EHEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2OC(F)F)C1 ZINC000661378653 1042092774 /nfs/dbraw/zinc/09/27/74/1042092774.db2.gz JWYQBAMZZFILQA-ZIAGYGMSSA-N 1 1 338.398 3.903 20 30 EHEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCCC3)cc2C)C1 ZINC000661381256 1042093774 /nfs/dbraw/zinc/09/37/74/1042093774.db2.gz YOMRIHHZPZCFAZ-SFHVURJKSA-N 1 1 341.499 3.822 20 30 EHEDMO COC[C@H]([NH2+]CC#Cc1ccccc1Cl)c1cccc(OC)c1 ZINC000661473710 1042142297 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3.976 20 30 EHEDMO COc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1OC ZINC000093872375 1042566131 /nfs/dbraw/zinc/56/61/31/1042566131.db2.gz SCKQHUZMAJIPTP-RBUKOAKNSA-N 1 1 336.435 3.976 20 30 EHEDMO C[N@@H+](CC1(CC#N)CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000602761876 1042735985 /nfs/dbraw/zinc/73/59/85/1042735985.db2.gz BQSJRJVMYRZQQY-CABCVRRESA-N 1 1 325.239 3.577 20 30 EHEDMO CCc1nnc(NCc2ccccc2-n2cc[nH+]c2C)c(C#N)c1CC ZINC000343917522 1042821416 /nfs/dbraw/zinc/82/14/16/1042821416.db2.gz MBEHTSNSMUPACS-UHFFFAOYSA-N 1 1 346.438 3.579 20 30 EHEDMO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)CCO2 ZINC000344102936 1043253922 /nfs/dbraw/zinc/25/39/22/1043253922.db2.gz GBZBBJSXHOBWIC-KPZWWZAWSA-N 1 1 326.371 3.880 20 30 EHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cc(F)cc2cccnc21 ZINC000344112238 1043267131 /nfs/dbraw/zinc/26/71/31/1043267131.db2.gz LCMSSOZILSZWLY-UHFFFAOYSA-N 1 1 349.409 3.894 20 30 EHEDMO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279415372 1044066232 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EHEDMO C#CC[N@H+](C[C@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1)C1CC1 ZINC000763960423 1126987821 /nfs/dbraw/zinc/98/78/21/1126987821.db2.gz NWQZRDWPBZPGBW-XZOQPEGZSA-N 1 1 349.474 3.560 20 30 EHEDMO C[C@H](C#N)C[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000183817789 1127387778 /nfs/dbraw/zinc/38/77/78/1127387778.db2.gz HIEZISPENIZPED-SKDRFNHKSA-N 1 1 340.267 3.808 20 30 EHEDMO C=CCCC[N@H+](C)Cc1ccc(C(=O)OC)cc1Br ZINC000382476921 1127511097 /nfs/dbraw/zinc/51/10/97/1127511097.db2.gz JQXXRAGEHWDQOS-UHFFFAOYSA-N 1 1 326.234 3.634 20 30 EHEDMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1Cl ZINC000338628196 1127929494 /nfs/dbraw/zinc/92/94/94/1127929494.db2.gz UVKQBSJEKDTMHW-SJORKVTESA-N 1 1 338.842 3.765 20 30 EHEDMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1Cl ZINC000338628196 1127929496 /nfs/dbraw/zinc/92/94/96/1127929496.db2.gz UVKQBSJEKDTMHW-SJORKVTESA-N 1 1 338.842 3.765 20 30 EHEDMO Cc1cc(C#N)cc(NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC001670905937 1128021995 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C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(Cl)c(C#N)n1 ZINC000301601378 1128598031 /nfs/dbraw/zinc/59/80/31/1128598031.db2.gz VLDIBKAAZRYFQU-YOEHRIQHSA-N 1 1 340.858 3.929 20 30 EHEDMO C[N@@H+]1CC[C@H](Nc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301847504 1128608026 /nfs/dbraw/zinc/60/80/26/1128608026.db2.gz NLJOUJQCILVLBB-DOTOQJQBSA-N 1 1 330.794 3.603 20 30 EHEDMO C[N@H+]1CC[C@H](Nc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301847504 1128608028 /nfs/dbraw/zinc/60/80/28/1128608028.db2.gz NLJOUJQCILVLBB-DOTOQJQBSA-N 1 1 330.794 3.603 20 30 EHEDMO C[NH+](C)[C@H](CNc1nc2ccccn2c1C#N)c1ccccc1Cl ZINC000302111676 1128620552 /nfs/dbraw/zinc/62/05/52/1128620552.db2.gz UPXRMPDAGBLHPE-MRXNPFEDSA-N 1 1 339.830 3.574 20 30 EHEDMO Cc1ccc(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)nc1C#N ZINC000302624624 1128638916 /nfs/dbraw/zinc/63/89/16/1128638916.db2.gz HRMMLPJKWZDVCI-HNNXBMFYSA-N 1 1 340.858 3.798 20 30 EHEDMO C[N@@H+]1CC[C@@H](Nc2ccc(C#N)cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000302834839 1128650584 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C[N@@H+](Cc1ccsc1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000619067543 1125271396 /nfs/dbraw/zinc/27/13/96/1125271396.db2.gz FRRLVHOCQSDXQB-UHFFFAOYSA-N 1 1 337.452 3.552 20 30 EHEDMO COc1cc(C[NH2+][C@@H](CN2CCCCC2)c2ccccc2)ccc1C#N ZINC000619652605 1125378291 /nfs/dbraw/zinc/37/82/91/1125378291.db2.gz JULDMRKZETYKRK-NRFANRHFSA-N 1 1 349.478 3.884 20 30 EHEDMO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)s1 ZINC000114732756 1129187775 /nfs/dbraw/zinc/18/77/75/1129187775.db2.gz OZISUROPEKSEIR-MRXNPFEDSA-N 1 1 325.437 3.704 20 30 EHEDMO C=CC[C@H](CC)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000466367591 1129406352 /nfs/dbraw/zinc/40/63/52/1129406352.db2.gz WZNQHPCFKSPQEY-MJGOQNOKSA-N 1 1 329.488 3.647 20 30 EHEDMO COc1ccccc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000069087037 1129422716 /nfs/dbraw/zinc/42/27/16/1129422716.db2.gz VURGZSKFKVJSFZ-IBGZPJMESA-N 1 1 349.434 3.733 20 30 EHEDMO C=CC[C@H](CC)NC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000466399425 1129423718 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COCC[N@@H+](Cc1cnc(C(C)C)s1)Cc1ccc(C#N)cc1 ZINC000092567647 1129552426 /nfs/dbraw/zinc/55/24/26/1129552426.db2.gz RUIYEYNOHFCMSQ-UHFFFAOYSA-N 1 1 329.469 3.787 20 30 EHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)c(F)c(F)c1 ZINC000124410578 1129604647 /nfs/dbraw/zinc/60/46/47/1129604647.db2.gz AVWOCDJYNNRRID-UHFFFAOYSA-N 1 1 334.341 3.624 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)c(F)c(F)c1 ZINC000124410578 1129604650 /nfs/dbraw/zinc/60/46/50/1129604650.db2.gz AVWOCDJYNNRRID-UHFFFAOYSA-N 1 1 334.341 3.624 20 30 EHEDMO CC(C)[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1cnn(C)c1 ZINC000922890503 1129750054 /nfs/dbraw/zinc/75/00/54/1129750054.db2.gz NEZMDCGEUVFZHI-MRXNPFEDSA-N 1 1 347.260 3.541 20 30 EHEDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)nc1 ZINC000245439512 1130205691 /nfs/dbraw/zinc/20/56/91/1130205691.db2.gz SYABJKPYBMGOPG-VQIMIIECSA-N 1 1 348.450 3.673 20 30 EHEDMO C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000246276093 1130368823 /nfs/dbraw/zinc/36/88/23/1130368823.db2.gz VHIMSXOBLMBCPN-MJGOQNOKSA-N 1 1 325.481 3.792 20 30 EHEDMO C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000246276093 1130368828 /nfs/dbraw/zinc/36/88/28/1130368828.db2.gz VHIMSXOBLMBCPN-MJGOQNOKSA-N 1 1 325.481 3.792 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000246634559 1130397244 /nfs/dbraw/zinc/39/72/44/1130397244.db2.gz ZPOJTEWUNBSSBB-MDZRGWNJSA-N 1 1 333.435 3.763 20 30 EHEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ccccc1Oc1ccccc1 ZINC000730282778 1130693404 /nfs/dbraw/zinc/69/34/04/1130693404.db2.gz OUJHVNRATDIALT-PXNSSMCTSA-N 1 1 348.446 3.754 20 30 EHEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ccccc1Oc1ccccc1 ZINC000730282778 1130693406 /nfs/dbraw/zinc/69/34/06/1130693406.db2.gz OUJHVNRATDIALT-PXNSSMCTSA-N 1 1 348.446 3.754 20 30 EHEDMO C[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1Br ZINC000731210555 1130776682 /nfs/dbraw/zinc/77/66/82/1130776682.db2.gz QZNODZLJXLQYOZ-UHFFFAOYSA-N 1 1 345.240 3.983 20 30 EHEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1Br ZINC000731210555 1130776686 /nfs/dbraw/zinc/77/66/86/1130776686.db2.gz QZNODZLJXLQYOZ-UHFFFAOYSA-N 1 1 345.240 3.983 20 30 EHEDMO C[N@H+]1CCC[C@H](C/N=C\c2cccc(O)c2O)[C@@H]1c1cccs1 ZINC000741465346 1131606009 /nfs/dbraw/zinc/60/60/09/1131606009.db2.gz UORIBBLWGFRMJC-NJYBTWLASA-N 1 1 330.453 3.661 20 30 EHEDMO Cc1nc(Cl)cc(N=NC2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000741765234 1131642221 /nfs/dbraw/zinc/64/22/21/1131642221.db2.gz ASULHXUPBBFGTK-CYBMUJFWSA-N 1 1 343.862 3.891 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000741808796 1131650302 /nfs/dbraw/zinc/65/03/02/1131650302.db2.gz UNLMJJGHSCPVAZ-CZAAIQMYSA-N 1 1 348.446 3.898 20 30 EHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000741808796 1131650304 /nfs/dbraw/zinc/65/03/04/1131650304.db2.gz UNLMJJGHSCPVAZ-CZAAIQMYSA-N 1 1 348.446 3.898 20 30 EHEDMO COc1ccc(C[NH2+][C@H](C)c2nc3c(s2)CCCC3)cc1C#N ZINC000742372055 1131717075 /nfs/dbraw/zinc/71/70/75/1131717075.db2.gz PMTNTGUUMWNGJA-GFCCVEGCSA-N 1 1 327.453 3.753 20 30 EHEDMO C[C@@H](CCCC#N)[N@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001172495889 1131758826 /nfs/dbraw/zinc/75/88/26/1131758826.db2.gz VYIJUCLJHXNWAM-FUHWJXTLSA-N 1 1 348.441 3.701 20 30 EHEDMO COC[C@H]1C[N@H+]([C@@H](C)CCCC#N)Cc2cn(CC3CCCC3)nc21 ZINC001172496909 1131759094 /nfs/dbraw/zinc/75/90/94/1131759094.db2.gz UFHPKIDZDIAYCO-QFBILLFUSA-N 1 1 344.503 3.701 20 30 EHEDMO C[C@@H](CCCC#N)[NH+]1CCN(c2c(Cl)cncc2Cl)CC1 ZINC001172499543 1131759869 /nfs/dbraw/zinc/75/98/69/1131759869.db2.gz DTXPILVXEXEBHI-LBPRGKRZSA-N 1 1 327.259 3.593 20 30 EHEDMO C[C@H](CCCC#N)N1CC[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001172503400 1131761541 /nfs/dbraw/zinc/76/15/41/1131761541.db2.gz FYCMTFTYAWUSFN-WBVHZDCISA-N 1 1 339.405 3.817 20 30 EHEDMO C[C@H](CCCC#N)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001172503400 1131761546 /nfs/dbraw/zinc/76/15/46/1131761546.db2.gz FYCMTFTYAWUSFN-WBVHZDCISA-N 1 1 339.405 3.817 20 30 EHEDMO C[C@H](CCCC#N)[N@H+]1C[C@@H]2CCC[C@@H](N(C)Cc3ccccn3)[C@@H]2C1 ZINC001172507044 1131763127 /nfs/dbraw/zinc/76/31/27/1131763127.db2.gz OCPMPZHPFNVUNK-KOUHRCEDSA-N 1 1 340.515 3.696 20 30 EHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172717451 1131819085 /nfs/dbraw/zinc/81/90/85/1131819085.db2.gz GEBZOFAPBVJUQD-SLFFLAALSA-N 1 1 347.886 3.633 20 30 EHEDMO COc1cccc(O)c1/C=N\[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000743044986 1131842512 /nfs/dbraw/zinc/84/25/12/1131842512.db2.gz VTODNHPZMDNLSM-VVRYKASASA-N 1 1 335.407 3.537 20 30 EHEDMO C=CCN(C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000743358294 1131901047 /nfs/dbraw/zinc/90/10/47/1131901047.db2.gz HJPAQJBSQQKISK-IBGZPJMESA-N 1 1 329.488 3.505 20 30 EHEDMO CC(N=Nc1cccc(F)c1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000743443877 1131919618 /nfs/dbraw/zinc/91/96/18/1131919618.db2.gz VPUSWCFNBOQUAK-SFHVURJKSA-N 1 1 345.393 3.654 20 30 EHEDMO CC(N=Nc1cccc(F)c1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000743443877 1131919624 /nfs/dbraw/zinc/91/96/24/1131919624.db2.gz VPUSWCFNBOQUAK-SFHVURJKSA-N 1 1 345.393 3.654 20 30 EHEDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](CCC#N)C2CCCC2)c1F ZINC001173189599 1131995264 /nfs/dbraw/zinc/99/52/64/1131995264.db2.gz LGTNGPBMODIHGZ-CYBMUJFWSA-N 1 1 349.406 3.832 20 30 EHEDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](CCC#N)C2CCCC2)c1F ZINC001173189599 1131995268 /nfs/dbraw/zinc/99/52/68/1131995268.db2.gz LGTNGPBMODIHGZ-CYBMUJFWSA-N 1 1 349.406 3.832 20 30 EHEDMO C=CCOC1CCC([N@H+](C)C[C@H]2Cc3cc(OC)c(OC)cc32)CC1 ZINC001173322363 1132045443 /nfs/dbraw/zinc/04/54/43/1132045443.db2.gz CKTXYYRQOYJKEO-WWDZGPRUSA-N 1 1 345.483 3.789 20 30 EHEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C1CCC(OCC=C)CC1)C2 ZINC001173324995 1132046823 /nfs/dbraw/zinc/04/68/23/1132046823.db2.gz XELSYGHNDNFDPP-NSKBAKJYSA-N 1 1 349.515 3.574 20 30 EHEDMO C=CCOC1CCC([N@@H+]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC001173327527 1132048164 /nfs/dbraw/zinc/04/81/64/1132048164.db2.gz NLRFWOGFSSRJPJ-PELRDEGISA-N 1 1 328.500 3.707 20 30 EHEDMO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2C2CCC(CC#N)CC2)O1 ZINC001173332537 1132050028 /nfs/dbraw/zinc/05/00/28/1132050028.db2.gz BMQDRTFRYMIHMM-WFAGLZIHSA-N 1 1 334.504 3.753 20 30 EHEDMO N#CCC1CCC([N@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)CC1 ZINC001173335442 1132051635 /nfs/dbraw/zinc/05/16/35/1132051635.db2.gz MEJVLMSPWWCRSN-LADRWXRNSA-N 1 1 343.496 3.649 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173335575 1132052209 /nfs/dbraw/zinc/05/22/09/1132052209.db2.gz RECUMQFRMHZDDC-CGZBRXJRSA-N 1 1 335.492 3.696 20 30 EHEDMO C[N@@H+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CCC(CC#N)CC1 ZINC001173339106 1132054589 /nfs/dbraw/zinc/05/45/89/1132054589.db2.gz CYTAKEZOAZUAOB-JCYILVPMSA-N 1 1 335.492 3.790 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@@H+](CCc2ccccc2)C2CC2)c1 ZINC000744392158 1132083588 /nfs/dbraw/zinc/08/35/88/1132083588.db2.gz VRPAOFTXOHLUFU-UHFFFAOYSA-N 1 1 333.435 3.594 20 30 EHEDMO CC(C)CC[N@@H+](CCC#N)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000744405304 1132090012 /nfs/dbraw/zinc/09/00/12/1132090012.db2.gz GZYVOJPVMDKNSI-QGZVFWFLSA-N 1 1 337.508 3.895 20 30 EHEDMO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173592063 1132097491 /nfs/dbraw/zinc/09/74/91/1132097491.db2.gz DUNRLYWPHMZQOA-XUJQIHCRSA-N 1 1 335.492 3.838 20 30 EHEDMO COc1ccccc1[C@@H](O)C[N@@H+](C(C)C)C1CCC(C)(C#N)CC1 ZINC001173598249 1132100700 /nfs/dbraw/zinc/10/07/00/1132100700.db2.gz OHAWZLMYXYGPPX-IPCDKGFNSA-N 1 1 330.472 3.911 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](C2CC2)C2CCC(C)(C#N)CC2)C1 ZINC001173597555 1132101187 /nfs/dbraw/zinc/10/11/87/1132101187.db2.gz YEOSXNYSDHSXPG-OHTSDLOESA-N 1 1 347.503 3.933 20 30 EHEDMO CCCCCCCC[N@@H+](CCN)[C@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173633952 1132110449 /nfs/dbraw/zinc/11/04/49/1132110449.db2.gz DNERGCSDCRVBDP-MSOLQXFVSA-N 1 1 326.525 3.730 20 30 EHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1cc(F)ccc1F ZINC000745169389 1132212455 /nfs/dbraw/zinc/21/24/55/1132212455.db2.gz MIMSVLZMAHXWAL-GOSISDBHSA-N 1 1 348.349 3.595 20 30 EHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1cc(F)ccc1F ZINC000745169389 1132212461 /nfs/dbraw/zinc/21/24/61/1132212461.db2.gz MIMSVLZMAHXWAL-GOSISDBHSA-N 1 1 348.349 3.595 20 30 EHEDMO C[N@H+]1CCc2c(C#N)c(Nc3cccc(C(C)(C)O)c3)sc2C1 ZINC001174404949 1132364539 /nfs/dbraw/zinc/36/45/39/1132364539.db2.gz YFALVZHPKDQCHA-UHFFFAOYSA-N 1 1 327.453 3.579 20 30 EHEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC001174891315 1132495238 /nfs/dbraw/zinc/49/52/38/1132495238.db2.gz SHJCZWZZWFYMOE-AWEZNQCLSA-N 1 1 343.496 3.725 20 30 EHEDMO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC001174891315 1132495243 /nfs/dbraw/zinc/49/52/43/1132495243.db2.gz SHJCZWZZWFYMOE-AWEZNQCLSA-N 1 1 343.496 3.725 20 30 EHEDMO COC(=O)c1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)c(C#N)c1 ZINC001175507616 1132695241 /nfs/dbraw/zinc/69/52/41/1132695241.db2.gz UKWRYJPIUFTBNB-UHFFFAOYSA-N 1 1 347.418 3.547 20 30 EHEDMO CC(C)(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC001169724538 1132835504 /nfs/dbraw/zinc/83/55/04/1132835504.db2.gz RWSFCTYTNDOHSS-CQSZACIVSA-N 1 1 333.863 3.908 20 30 EHEDMO COc1cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c(F)cc1F ZINC001176107186 1132849220 /nfs/dbraw/zinc/84/92/20/1132849220.db2.gz LEKRYFMKXYXSBU-UHFFFAOYSA-N 1 1 335.379 3.638 20 30 EHEDMO Cc1csc(C[C@H]2CCC[N@@H+](CCc3ccc(C#N)cc3)C2)n1 ZINC001176217718 1132878871 /nfs/dbraw/zinc/87/88/71/1132878871.db2.gz KMXVXGRFAUFLPX-GOSISDBHSA-N 1 1 325.481 3.820 20 30 EHEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccccc1OC1CCCC1 ZINC001169865072 1132884483 /nfs/dbraw/zinc/88/44/83/1132884483.db2.gz XNBFKEVRPMRKDI-GOSISDBHSA-N 1 1 342.483 3.665 20 30 EHEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccccc1OC1CCCC1 ZINC001169865072 1132884493 /nfs/dbraw/zinc/88/44/93/1132884493.db2.gz XNBFKEVRPMRKDI-GOSISDBHSA-N 1 1 342.483 3.665 20 30 EHEDMO Cc1[nH+]ccn1-c1ncccc1CNc1nc(C(C)(C)C)ccc1C#N ZINC000767203080 1132966356 /nfs/dbraw/zinc/96/63/56/1132966356.db2.gz YFYCLCPJYWYUBF-UHFFFAOYSA-N 1 1 346.438 3.752 20 30 EHEDMO C#C[C@H]1CCCC[N@H+]1CC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 ZINC001176832487 1133004404 /nfs/dbraw/zinc/00/44/04/1133004404.db2.gz DBPAKQQWEPDZSM-FQEVSTJZSA-N 1 1 338.495 3.789 20 30 EHEDMO C#C[C@H]1CCCC[N@@H+]1CC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 ZINC001176832487 1133004411 /nfs/dbraw/zinc/00/44/11/1133004411.db2.gz DBPAKQQWEPDZSM-FQEVSTJZSA-N 1 1 338.495 3.789 20 30 EHEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(C)c1 ZINC000767907297 1133070706 /nfs/dbraw/zinc/07/07/06/1133070706.db2.gz YARPPSPYWUWQOS-YADHBBJMSA-N 1 1 339.479 3.858 20 30 EHEDMO C#CCCOc1ccc(C[N@H+](C)CCOc2ccccc2OC)cc1 ZINC000768823934 1133188683 /nfs/dbraw/zinc/18/86/83/1133188683.db2.gz RZAMSSUHBXLVNF-UHFFFAOYSA-N 1 1 339.435 3.608 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769328457 1133262602 /nfs/dbraw/zinc/26/26/02/1133262602.db2.gz IGVDHSHTKNLEAV-AWEZNQCLSA-N 1 1 349.500 3.841 20 30 EHEDMO C#CCOc1ccc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000769402570 1133278361 /nfs/dbraw/zinc/27/83/61/1133278361.db2.gz KSXLEIRDWJDJMP-QFIPXVFZSA-N 1 1 348.490 3.653 20 30 EHEDMO C#CCOc1ccc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000769402570 1133278365 /nfs/dbraw/zinc/27/83/65/1133278365.db2.gz KSXLEIRDWJDJMP-QFIPXVFZSA-N 1 1 348.490 3.653 20 30 EHEDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2N(C)C)c1 ZINC001179967095 1133315800 /nfs/dbraw/zinc/31/58/00/1133315800.db2.gz XVNPYPVZINYCNX-FQEVSTJZSA-N 1 1 349.478 3.840 20 30 EHEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccnn1CCc1ccccc1 ZINC001180338580 1133358219 /nfs/dbraw/zinc/35/82/19/1133358219.db2.gz FCFCNBOSDJNKGU-UHFFFAOYSA-N 1 1 335.451 3.950 20 30 EHEDMO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(C#N)s2)cs1 ZINC001181992957 1133559442 /nfs/dbraw/zinc/55/94/42/1133559442.db2.gz KBKSMZNNUHCGFN-CYBMUJFWSA-N 1 1 346.481 3.556 20 30 EHEDMO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(C#N)s2)cs1 ZINC001181992957 1133559445 /nfs/dbraw/zinc/55/94/45/1133559445.db2.gz KBKSMZNNUHCGFN-CYBMUJFWSA-N 1 1 346.481 3.556 20 30 EHEDMO CCCC[N@@H+](CC)[C@@H](C(=O)N(CCC#N)CCC#N)c1ccccc1 ZINC001182233543 1133595493 /nfs/dbraw/zinc/59/54/93/1133595493.db2.gz HSUFEEUVSFRZDZ-LJQANCHMSA-N 1 1 340.471 3.506 20 30 EHEDMO O=C(NCCCS)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182246890 1133600593 /nfs/dbraw/zinc/60/05/93/1133600593.db2.gz ZWHYRJDPJAQYKY-INIZCTEOSA-N 1 1 340.920 3.693 20 30 EHEDMO C[C@@H](C#N)N(C)C(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182247674 1133601605 /nfs/dbraw/zinc/60/16/05/1133601605.db2.gz HZBFZBAMOUBJHC-YOEHRIQHSA-N 1 1 333.863 3.628 20 30 EHEDMO C#CCCCCNC(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000774240163 1133640356 /nfs/dbraw/zinc/64/03/56/1133640356.db2.gz JWEPVRURZSNBJD-UHFFFAOYSA-N 1 1 335.536 3.580 20 30 EHEDMO C#C[C@@H](C)[NH2+][C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000774477595 1133686424 /nfs/dbraw/zinc/68/64/24/1133686424.db2.gz NIQJPZYYHVFKBE-DYVFJYSZSA-N 1 1 346.352 3.997 20 30 EHEDMO C#CC[C@H]1CCC[N@@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC001182543306 1133699646 /nfs/dbraw/zinc/69/96/46/1133699646.db2.gz LCIVVAXYAXBUGU-ZDUSSCGKSA-N 1 1 349.265 3.809 20 30 EHEDMO C#CC[C@H]1CCC[N@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC001182543306 1133699648 /nfs/dbraw/zinc/69/96/48/1133699648.db2.gz LCIVVAXYAXBUGU-ZDUSSCGKSA-N 1 1 349.265 3.809 20 30 EHEDMO C#CC(C)(C)C(=O)Nc1cccc2c1C[N@@H+](C)C[C@@H]2c1ccccc1 ZINC001182638117 1133708740 /nfs/dbraw/zinc/70/87/40/1133708740.db2.gz IZIXDJZDHYZVSD-GOSISDBHSA-N 1 1 332.447 3.862 20 30 EHEDMO C[NH+](C)C1(C(=O)Nc2ccc(Cl)cc2C#C[Si](C)(C)C)CC1 ZINC001182601176 1133709382 /nfs/dbraw/zinc/70/93/82/1133709382.db2.gz QPUIUOHSXCRRPJ-UHFFFAOYSA-N 1 1 334.923 3.602 20 30 EHEDMO CC(C)(C)OC(=O)[C@H]1C[N@H+](CC#Cc2ccccc2)Cc2ccccc21 ZINC001182856684 1133740107 /nfs/dbraw/zinc/74/01/07/1133740107.db2.gz XQPFLLGSNVVWEH-NRFANRHFSA-N 1 1 347.458 3.979 20 30 EHEDMO CC(C)(C)OC(=O)[C@H]1C[N@@H+](CC#Cc2ccccc2)Cc2ccccc21 ZINC001182856684 1133740111 /nfs/dbraw/zinc/74/01/11/1133740111.db2.gz XQPFLLGSNVVWEH-NRFANRHFSA-N 1 1 347.458 3.979 20 30 EHEDMO C=CCn1c2ccccc2n(C[NH+]2CCC(C)(OC)CC2)c1=S ZINC000774638627 1133814222 /nfs/dbraw/zinc/81/42/22/1133814222.db2.gz BXSAHRWJMYMHAX-UHFFFAOYSA-N 1 1 331.485 3.817 20 30 EHEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=NOCc2cccnc2)c1C ZINC000746587003 1133853598 /nfs/dbraw/zinc/85/35/98/1133853598.db2.gz BQTOZUUWKNMUMR-HXUWFJFHSA-N 1 1 340.471 3.535 20 30 EHEDMO C#CCOc1ccccc1C[NH2+][C@H](COC)c1ccc(Cl)cc1 ZINC000786857083 1133913413 /nfs/dbraw/zinc/91/34/13/1133913413.db2.gz MUNTZNLNRPLOMR-GOSISDBHSA-N 1 1 329.827 3.829 20 30 EHEDMO Cc1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccc1C#N ZINC000774819953 1134031632 /nfs/dbraw/zinc/03/16/32/1134031632.db2.gz GCHSZUSAIARQPK-HXUWFJFHSA-N 1 1 336.435 3.754 20 30 EHEDMO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1[C@H](C)CCCC(C)C ZINC001170077343 1134037756 /nfs/dbraw/zinc/03/77/56/1134037756.db2.gz JNGDXUSKARZXQO-AEFFLSMTSA-N 1 1 334.508 3.615 20 30 EHEDMO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@H](C)CCCC(C)C ZINC001170077343 1134037761 /nfs/dbraw/zinc/03/77/61/1134037761.db2.gz JNGDXUSKARZXQO-AEFFLSMTSA-N 1 1 334.508 3.615 20 30 EHEDMO CC[C@@H](C)[N@@H+](C)CCNc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC001185203580 1134049832 /nfs/dbraw/zinc/04/98/32/1134049832.db2.gz JPWPCASQTRAYPQ-OAHLLOKOSA-N 1 1 339.487 3.626 20 30 EHEDMO COc1cc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)ccc1Cl ZINC000788467009 1134128967 /nfs/dbraw/zinc/12/89/67/1134128967.db2.gz AFZBCNKXTVRNFW-UHFFFAOYSA-N 1 1 345.830 3.631 20 30 EHEDMO CC[NH+](CC)[C@H](C(=O)OCc1cccc(C#N)c1F)c1ccccc1 ZINC000774950547 1134142355 /nfs/dbraw/zinc/14/23/55/1134142355.db2.gz UONPGOFBMMVWNA-IBGZPJMESA-N 1 1 340.398 3.824 20 30 EHEDMO C[C@H]1CN(c2cc(Br)ccc2C#N)CC[N@H+]1C1CCCC1 ZINC001187624862 1134357297 /nfs/dbraw/zinc/35/72/97/1134357297.db2.gz KPDKCCSXZONWGB-ZDUSSCGKSA-N 1 1 348.288 3.774 20 30 EHEDMO C=C(C)c1cccc(C(C)(C)NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC001189275681 1134566178 /nfs/dbraw/zinc/56/61/78/1134566178.db2.gz DGQFZLZYBYXJQE-KRWDZBQOSA-N 1 1 343.515 3.986 20 30 EHEDMO N#CC1(c2ccccc2)CCC([NH+]2CC(Oc3cccnc3)C2)CC1 ZINC001170388854 1134762563 /nfs/dbraw/zinc/76/25/63/1134762563.db2.gz HUIVYXLEUOCSKZ-UHFFFAOYSA-N 1 1 333.435 3.549 20 30 EHEDMO C=CC[N@@H+](CC1CCCCC1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC001190985925 1134775133 /nfs/dbraw/zinc/77/51/33/1134775133.db2.gz VARQZZYIUUIWGB-IBGZPJMESA-N 1 1 330.447 3.999 20 30 EHEDMO C[C@@]12CC[N@@H+](CCCOc3cccc(C#N)c3)C[C@@H]1C2(Cl)Cl ZINC000792896601 1134815686 /nfs/dbraw/zinc/81/56/86/1134815686.db2.gz ALABWKPBVYOHSV-JKSUJKDBSA-N 1 1 339.266 3.843 20 30 EHEDMO C[C@@]12CC[N@@H+](CCCOc3ccc(C#N)cc3)C[C@@H]1C2(Cl)Cl ZINC000792912125 1134823094 /nfs/dbraw/zinc/82/30/94/1134823094.db2.gz YFTDZWPHCSDQJC-JKSUJKDBSA-N 1 1 339.266 3.843 20 30 EHEDMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001170431260 1134917704 /nfs/dbraw/zinc/91/77/04/1134917704.db2.gz IRDWOLCLMQWVIH-LJQANCHMSA-N 1 1 334.419 3.666 20 30 EHEDMO Cc1cccc([C@H]2CCC[N@@H+]2Cn2cc3c(c(C#N)c2=O)CCCC3)c1 ZINC000793487880 1134940523 /nfs/dbraw/zinc/94/05/23/1134940523.db2.gz XJURDALIIDJCBX-OAQYLSRUSA-N 1 1 347.462 3.702 20 30 EHEDMO Cc1cccc([C@H]2CCC[N@H+]2Cn2cc3c(c(C#N)c2=O)CCCC3)c1 ZINC000793487880 1134940531 /nfs/dbraw/zinc/94/05/31/1134940531.db2.gz XJURDALIIDJCBX-OAQYLSRUSA-N 1 1 347.462 3.702 20 30 EHEDMO C=CC[C@@H](C(=O)OC)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC001191927963 1134943301 /nfs/dbraw/zinc/94/33/01/1134943301.db2.gz FHNXGGAJEKZEOM-HNNXBMFYSA-N 1 1 348.830 3.778 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)Cc1cccc(C)c1C ZINC000793568072 1134958559 /nfs/dbraw/zinc/95/85/59/1134958559.db2.gz FWBKHFKNNYVCDJ-UHFFFAOYSA-N 1 1 345.450 3.832 20 30 EHEDMO C=CCO[C@H]1CC[N@@H+](Cc2cccc(Cl)c2Br)C1 ZINC001192502001 1135024341 /nfs/dbraw/zinc/02/43/41/1135024341.db2.gz RAGIZBWCVDISKV-LBPRGKRZSA-N 1 1 330.653 3.879 20 30 EHEDMO C=CCO[C@H]1CC[N@H+](Cc2cccc(Cl)c2Br)C1 ZINC001192502001 1135024347 /nfs/dbraw/zinc/02/43/47/1135024347.db2.gz RAGIZBWCVDISKV-LBPRGKRZSA-N 1 1 330.653 3.879 20 30 EHEDMO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCCCC1(C#N)CCC1 ZINC001192990854 1135081805 /nfs/dbraw/zinc/08/18/05/1135081805.db2.gz TWJWYZQUMCAGOP-INIZCTEOSA-N 1 1 335.492 3.792 20 30 EHEDMO Cc1ccc(C[N@H+](C[C@@H](O)COc2ccccc2)C(C)C)cc1C#N ZINC001193881157 1135192629 /nfs/dbraw/zinc/19/26/29/1135192629.db2.gz MNLFQKNALHJXSJ-HXUWFJFHSA-N 1 1 338.451 3.517 20 30 EHEDMO C=CC[C@H]1[N@@H+](CCC(=O)NCc2cnc(C)s2)CCCC1(C)C ZINC001193920481 1135203865 /nfs/dbraw/zinc/20/38/65/1135203865.db2.gz NPPHSLRIIRERAQ-MRXNPFEDSA-N 1 1 335.517 3.525 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC001194348977 1135258128 /nfs/dbraw/zinc/25/81/28/1135258128.db2.gz ULPNBFXEHAJFDR-CRAIPNDOSA-N 1 1 347.890 3.875 20 30 EHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC001194348977 1135258133 /nfs/dbraw/zinc/25/81/33/1135258133.db2.gz ULPNBFXEHAJFDR-CRAIPNDOSA-N 1 1 347.890 3.875 20 30 EHEDMO CCC(CC)COC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001194724668 1135313213 /nfs/dbraw/zinc/31/32/13/1135313213.db2.gz PZMVSGWDAFUIAA-UHFFFAOYSA-N 1 1 343.471 3.707 20 30 EHEDMO Cc1ccc(C[N@@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@@H]2C)cc1C#N ZINC001195287635 1135407065 /nfs/dbraw/zinc/40/70/65/1135407065.db2.gz CTDRDRLXTOCFPV-DOTOQJQBSA-N 1 1 328.456 3.809 20 30 EHEDMO COC(=O)C(C)(C)C[N@H+](Cc1c(C)cc(C#N)cc1C)CC(C)C ZINC001197336229 1135681398 /nfs/dbraw/zinc/68/13/98/1135681398.db2.gz WGFAAYQMIRHJMZ-UHFFFAOYSA-N 1 1 330.472 3.832 20 30 EHEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCc3cc(F)ccc3[C@@H]2C)cc1 ZINC001197495926 1135700694 /nfs/dbraw/zinc/70/06/94/1135700694.db2.gz IMXMOXXXIPJNFX-HNNXBMFYSA-N 1 1 336.410 3.755 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2C)cc1C ZINC000747529934 1135747245 /nfs/dbraw/zinc/74/72/45/1135747245.db2.gz GBHBQBYRBMCZMQ-SJLPKXTDSA-N 1 1 327.472 3.671 20 30 EHEDMO C#Cc1ccc(C[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1 ZINC000809547955 1135854395 /nfs/dbraw/zinc/85/43/95/1135854395.db2.gz YPGPXCMEAIAFOE-UHFFFAOYSA-N 1 1 331.419 3.727 20 30 EHEDMO C#Cc1ccc(C[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1 ZINC000809547955 1135854398 /nfs/dbraw/zinc/85/43/98/1135854398.db2.gz YPGPXCMEAIAFOE-UHFFFAOYSA-N 1 1 331.419 3.727 20 30 EHEDMO CC(C)C[N@@H+](Cc1cnc([C@@H](C)O)s1)Cc1ccc(C#N)cc1 ZINC000809549700 1135855549 /nfs/dbraw/zinc/85/55/49/1135855549.db2.gz ZVRCQVSMWISCIH-CQSZACIVSA-N 1 1 329.469 3.726 20 30 EHEDMO C[N@@H+](CCCCC1(C#N)CCC1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001198778081 1135856677 /nfs/dbraw/zinc/85/66/77/1135856677.db2.gz ACCRDHPOQLBGCD-FVQHAEBGSA-N 1 1 347.503 3.648 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1 ZINC000809594837 1135859979 /nfs/dbraw/zinc/85/99/79/1135859979.db2.gz BEORHIPBJVFQHT-YJBOKZPZSA-N 1 1 328.456 3.546 20 30 EHEDMO C#CCOc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1 ZINC000809698627 1135868727 /nfs/dbraw/zinc/86/87/27/1135868727.db2.gz DZIYVMXNVPRPMY-VJBWXMMDSA-N 1 1 347.458 3.703 20 30 EHEDMO C#Cc1ccc(C[N@H+]2CCOC[C@@H]2Cc2c[nH]c3ccccc23)cc1 ZINC000809661250 1135869626 /nfs/dbraw/zinc/86/96/26/1135869626.db2.gz YKBTVFKNAWJHJA-FQEVSTJZSA-N 1 1 330.431 3.593 20 30 EHEDMO C#CCCOc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000809688695 1135871884 /nfs/dbraw/zinc/87/18/84/1135871884.db2.gz NXVZBAVIUVJSMK-UHFFFAOYSA-N 1 1 338.407 3.671 20 30 EHEDMO CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809755178 1135887325 /nfs/dbraw/zinc/88/73/25/1135887325.db2.gz HHBNWXPMXUVPAW-KRWDZBQOSA-N 1 1 340.471 3.649 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@@H+](CCC#N)CC2CC2)CC1 ZINC000809952053 1135905873 /nfs/dbraw/zinc/90/58/73/1135905873.db2.gz OEIUYVZEKZVHRW-QAQDUYKDSA-N 1 1 349.519 3.943 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000810033883 1135917277 /nfs/dbraw/zinc/91/72/77/1135917277.db2.gz JSGPUXXUUXRPJC-QGZVFWFLSA-N 1 1 335.492 3.840 20 30 EHEDMO CCCC[C@H](C)[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000810125339 1135924045 /nfs/dbraw/zinc/92/40/45/1135924045.db2.gz ULXBCDXMKIZHCZ-HOCLYGCPSA-N 1 1 336.439 3.734 20 30 EHEDMO C=C(Br)C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000105453577 1135947696 /nfs/dbraw/zinc/94/76/96/1135947696.db2.gz POTLDQBYMFWAMQ-UHFFFAOYSA-N 1 1 333.229 3.659 20 30 EHEDMO C[C@@H]1C[N@H+]([C@@H]2CCC[C@H](C#N)C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810246265 1135947791 /nfs/dbraw/zinc/94/77/91/1135947791.db2.gz LVBOYHYBWYDNIJ-YYAJDYIMSA-N 1 1 335.492 3.551 20 30 EHEDMO CCCC[N@@H+]1CCCC[C@@H]1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000105458262 1135947845 /nfs/dbraw/zinc/94/78/45/1135947845.db2.gz VXWNSOYMEHVTLH-PKOBYXMFSA-N 1 1 329.488 3.722 20 30 EHEDMO CCCC[N@H+]1CCCC[C@@H]1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000105458262 1135947847 /nfs/dbraw/zinc/94/78/47/1135947847.db2.gz VXWNSOYMEHVTLH-PKOBYXMFSA-N 1 1 329.488 3.722 20 30 EHEDMO CCN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000810437855 1135964563 /nfs/dbraw/zinc/96/45/63/1135964563.db2.gz JQRDDWGZEAXHBC-MGPUTAFESA-N 1 1 345.462 3.680 20 30 EHEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](CCCc1ccccc1)C2 ZINC001201660141 1136053260 /nfs/dbraw/zinc/05/32/60/1136053260.db2.gz HTEKNGLOCYBBCR-SFTDATJTSA-N 1 1 329.484 3.693 20 30 EHEDMO CCCCCCC[N@H+]1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001201762328 1136060485 /nfs/dbraw/zinc/06/04/85/1136060485.db2.gz GKWLKVLLWMVRPH-SLFFLAALSA-N 1 1 332.488 3.800 20 30 EHEDMO CC[NH+](CC)[C@H](C(=O)OCc1ccc(CC#N)cc1)c1ccccc1 ZINC000776214912 1136063458 /nfs/dbraw/zinc/06/34/58/1136063458.db2.gz UARZKZFMOKEZNO-FQEVSTJZSA-N 1 1 336.435 3.879 20 30 EHEDMO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1CC[C@@H](C)CCC=C(C)C ZINC001201976830 1136075325 /nfs/dbraw/zinc/07/53/25/1136075325.db2.gz PVAQTASAWQAUKW-HKUYNNGSSA-N 1 1 346.519 3.690 20 30 EHEDMO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1CC[C@@H](C)CCC=C(C)C ZINC001201976830 1136075330 /nfs/dbraw/zinc/07/53/30/1136075330.db2.gz PVAQTASAWQAUKW-HKUYNNGSSA-N 1 1 346.519 3.690 20 30 EHEDMO C[C@H](C#N)Oc1ccc(CN2C[C@H]3CCC[N@H+]3Cc3ccccc32)cc1 ZINC000811508142 1136101889 /nfs/dbraw/zinc/10/18/89/1136101889.db2.gz CDWQEANYWQYBII-YLJYHZDGSA-N 1 1 347.462 3.962 20 30 EHEDMO C[C@H]1C(N=Nc2ncnc3ccsc32)CC[N@H+]1Cc1ccccc1 ZINC000811645689 1136116526 /nfs/dbraw/zinc/11/65/26/1136116526.db2.gz WBBNWTGTGPGFIG-ZDUSSCGKSA-N 1 1 337.452 3.754 20 30 EHEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1 ZINC000812780119 1136246366 /nfs/dbraw/zinc/24/63/66/1136246366.db2.gz SSGPNHYKGXMPJE-QHCPKHFHSA-N 1 1 349.474 3.516 20 30 EHEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812847644 1136259412 /nfs/dbraw/zinc/25/94/12/1136259412.db2.gz CVKFCELDBWGWQW-MJGOQNOKSA-N 1 1 330.472 3.531 20 30 EHEDMO C#CCCOc1ccc(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC001134221238 1136432693 /nfs/dbraw/zinc/43/26/93/1136432693.db2.gz PLIHGRRKGFITOD-UHFFFAOYSA-N 1 1 349.434 3.726 20 30 EHEDMO O=[N+]([O-])c1cc(C=[NH+]OCc2ccc(F)cc2)ccc1N1CCCC1 ZINC000852303296 1136446539 /nfs/dbraw/zinc/44/65/39/1136446539.db2.gz YBBXGGOBPJNLDQ-UHFFFAOYSA-N 1 1 343.358 3.885 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000852319901 1136447827 /nfs/dbraw/zinc/44/78/27/1136447827.db2.gz SWEGPISKPJUBRL-KZNAEPCWSA-N 1 1 349.519 3.943 20 30 EHEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000852328725 1136449613 /nfs/dbraw/zinc/44/96/13/1136449613.db2.gz LLOSXDCBUWKYJD-NRFANRHFSA-N 1 1 328.419 3.687 20 30 EHEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000852328725 1136449616 /nfs/dbraw/zinc/44/96/16/1136449616.db2.gz LLOSXDCBUWKYJD-NRFANRHFSA-N 1 1 328.419 3.687 20 30 EHEDMO C=C(C)CC[N@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852472828 1136458412 /nfs/dbraw/zinc/45/84/12/1136458412.db2.gz GPTPBSNNSSYYBN-GJZGRUSLSA-N 1 1 332.410 3.608 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000852533426 1136463280 /nfs/dbraw/zinc/46/32/80/1136463280.db2.gz UREFMVPWLFAHRG-MSOLQXFVSA-N 1 1 345.462 3.702 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](CCC(C)(C)C#N)C2)CC1 ZINC000776604804 1136468717 /nfs/dbraw/zinc/46/87/17/1136468717.db2.gz HJMDSBLGNRCMKS-UHFFFAOYSA-N 1 1 335.492 3.649 20 30 EHEDMO N#CC[C@H]1CCC[N@@H+](Cn2nccc2-c2ccc(F)c(Cl)c2)C1 ZINC000853523886 1136540269 /nfs/dbraw/zinc/54/02/69/1136540269.db2.gz IFOVYCLDKBVKDC-CYBMUJFWSA-N 1 1 332.810 3.926 20 30 EHEDMO N#CC[C@H]1CCC[N@H+](Cn2nccc2-c2ccc(F)c(Cl)c2)C1 ZINC000853523886 1136540272 /nfs/dbraw/zinc/54/02/72/1136540272.db2.gz IFOVYCLDKBVKDC-CYBMUJFWSA-N 1 1 332.810 3.926 20 30 EHEDMO N#CC[C@@H]1CCC[N@H+](Cn2c3ccccc3nc2SC(F)F)C1 ZINC000853525435 1136541206 /nfs/dbraw/zinc/54/12/06/1136541206.db2.gz DRAIXOIIDFHXCV-LBPRGKRZSA-N 1 1 336.411 3.934 20 30 EHEDMO Clc1sccc1CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000853643120 1136552067 /nfs/dbraw/zinc/55/20/67/1136552067.db2.gz QJMDMKZJSDQECC-UHFFFAOYSA-N 1 1 336.844 3.789 20 30 EHEDMO C=CCC(F)(F)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000815736548 1136635344 /nfs/dbraw/zinc/63/53/44/1136635344.db2.gz DHEWHCXDWUQGRB-CQSZACIVSA-N 1 1 338.398 3.557 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000776797584 1136672860 /nfs/dbraw/zinc/67/28/60/1136672860.db2.gz IOMYCEUTESAPKJ-QAPCUYQASA-N 1 1 343.471 3.602 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000816457320 1136718455 /nfs/dbraw/zinc/71/84/55/1136718455.db2.gz YGCLOFALTCXWQJ-UWJYYQICSA-N 1 1 348.446 3.934 20 30 EHEDMO Cc1cc(C#N)cc(NC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)c1 ZINC000857281801 1136859657 /nfs/dbraw/zinc/85/96/57/1136859657.db2.gz JCUDEHBGJWOLIH-LJQANCHMSA-N 1 1 333.435 3.928 20 30 EHEDMO C[N@H+]1CCC[C@H](c2cccc(C(=O)N3Cc4cccc(C#N)c4C3)c2)C1 ZINC000857296853 1136860444 /nfs/dbraw/zinc/86/04/44/1136860444.db2.gz GCCOBPHQWIVGQB-IBGZPJMESA-N 1 1 345.446 3.523 20 30 EHEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858026391 1136933322 /nfs/dbraw/zinc/93/33/22/1136933322.db2.gz PGWLDQFQMPNFOV-NRFANRHFSA-N 1 1 347.462 3.917 20 30 EHEDMO Cc1ccc(O[C@@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)nc1 ZINC000858037528 1136934300 /nfs/dbraw/zinc/93/43/00/1136934300.db2.gz WCEZEPBTNLOOCE-GOSISDBHSA-N 1 1 326.827 3.548 20 30 EHEDMO Cc1ccc(O[C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)nc1 ZINC000858037528 1136934301 /nfs/dbraw/zinc/93/43/01/1136934301.db2.gz WCEZEPBTNLOOCE-GOSISDBHSA-N 1 1 326.827 3.548 20 30 EHEDMO N#Cc1cnccc1C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000827979829 1136988963 /nfs/dbraw/zinc/98/89/63/1136988963.db2.gz FWLYADXEZSSBNP-QZTJIDSGSA-N 1 1 341.480 3.883 20 30 EHEDMO C[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000860424115 1137059466 /nfs/dbraw/zinc/05/94/66/1137059466.db2.gz AVSMQUQRPFBQHP-VQTJNVASSA-N 1 1 348.450 3.558 20 30 EHEDMO COCOc1ccc(OC)cc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000822526797 1137062681 /nfs/dbraw/zinc/06/26/81/1137062681.db2.gz XZOXVDYLLGKDGQ-HNNXBMFYSA-N 1 1 340.423 3.743 20 30 EHEDMO CC(C)(C)Sc1ccc(-c2noc([C@@H]([NH3+])CCCC#N)n2)nc1 ZINC000822888323 1137077464 /nfs/dbraw/zinc/07/74/64/1137077464.db2.gz ZRSIETSIIWVKBE-LBPRGKRZSA-N 1 1 331.445 3.716 20 30 EHEDMO CC(C)(c1noc([C@H]([NH3+])CCCC#N)n1)c1ccc(Cl)cc1F ZINC000823094371 1137084981 /nfs/dbraw/zinc/08/49/81/1137084981.db2.gz QAXJQOKBERLHNI-CYBMUJFWSA-N 1 1 336.798 3.882 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000823616801 1137106797 /nfs/dbraw/zinc/10/67/97/1137106797.db2.gz BYZLHEYMSTUBOO-DYESRHJHSA-N 1 1 347.462 3.742 20 30 EHEDMO COc1ccccc1[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1nccn1C ZINC000823636849 1137107668 /nfs/dbraw/zinc/10/76/68/1137107668.db2.gz BRXBJYSOPTWKRX-RVSXGSNBSA-N 1 1 338.455 3.580 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cc3ccccc3c(OC)c2)n1 ZINC000824307834 1137131381 /nfs/dbraw/zinc/13/13/81/1137131381.db2.gz PXMNXZNURJZLEU-UHFFFAOYSA-N 1 1 333.435 3.700 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)Cc2cc3ccccc3c(OC)c2)n1 ZINC000824307834 1137131382 /nfs/dbraw/zinc/13/13/82/1137131382.db2.gz PXMNXZNURJZLEU-UHFFFAOYSA-N 1 1 333.435 3.700 20 30 EHEDMO C#C[C@H]([NH2+]Cc1cc(C(=O)OCC)c(C)[nH]1)c1ccc(Cl)cc1 ZINC000824416933 1137138523 /nfs/dbraw/zinc/13/85/23/1137138523.db2.gz PBLUIJCCYOQCPL-KRWDZBQOSA-N 1 1 330.815 3.617 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000862443443 1137145199 /nfs/dbraw/zinc/14/51/99/1137145199.db2.gz OTOQHGUXNYOQIW-QGZVFWFLSA-N 1 1 336.435 3.514 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)c(OCC)c2)C1 ZINC000862445287 1137145349 /nfs/dbraw/zinc/14/53/49/1137145349.db2.gz POBWUXJJRCPCGG-CQSZACIVSA-N 1 1 341.373 3.872 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000824690586 1137148426 /nfs/dbraw/zinc/14/84/26/1137148426.db2.gz HIGQTZDDXRJAAZ-LIRRHRJNSA-N 1 1 344.842 3.796 20 30 EHEDMO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@@H+](CC(C)(C)CCC#N)C[C@]2(C)C1 ZINC000862536474 1137148506 /nfs/dbraw/zinc/14/85/06/1137148506.db2.gz NSVJSYHKPZLCFF-BGYRXZFFSA-N 1 1 349.519 3.895 20 30 EHEDMO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(Cl)cn3)C2)c1 ZINC001136931554 1137150613 /nfs/dbraw/zinc/15/06/13/1137150613.db2.gz GZIUMPVPSVBVOU-SFHVURJKSA-N 1 1 327.815 3.650 20 30 EHEDMO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(Cl)cn3)C2)c1 ZINC001136931554 1137150614 /nfs/dbraw/zinc/15/06/14/1137150614.db2.gz GZIUMPVPSVBVOU-SFHVURJKSA-N 1 1 327.815 3.650 20 30 EHEDMO C#CCCOc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000824892985 1137156048 /nfs/dbraw/zinc/15/60/48/1137156048.db2.gz HXIXWCSSIWCIMS-RTWAWAEBSA-N 1 1 339.479 3.870 20 30 EHEDMO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3cncc(Cl)c3)C2)c1 ZINC001136996415 1137168291 /nfs/dbraw/zinc/16/82/91/1137168291.db2.gz HKDIIBLNLDLGSX-SFHVURJKSA-N 1 1 327.815 3.650 20 30 EHEDMO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3cncc(Cl)c3)C2)c1 ZINC001136996415 1137168292 /nfs/dbraw/zinc/16/82/92/1137168292.db2.gz HKDIIBLNLDLGSX-SFHVURJKSA-N 1 1 327.815 3.650 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1c(Cl)cccc1C#N ZINC001143726323 1137194422 /nfs/dbraw/zinc/19/44/22/1137194422.db2.gz MIQPKTCJXWLXAQ-MRXNPFEDSA-N 1 1 339.870 3.918 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)CCO[C@H](CC)c2ccccc2)n1 ZINC000844323636 1137212668 /nfs/dbraw/zinc/21/26/68/1137212668.db2.gz HJOAVZIWRZLWOI-HXUWFJFHSA-N 1 1 325.456 3.506 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)CCO[C@H](CC)c2ccccc2)n1 ZINC000844323636 1137212670 /nfs/dbraw/zinc/21/26/70/1137212670.db2.gz HJOAVZIWRZLWOI-HXUWFJFHSA-N 1 1 325.456 3.506 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000844370638 1137213354 /nfs/dbraw/zinc/21/33/54/1137213354.db2.gz IIGAGWVWIFLPIW-IBGZPJMESA-N 1 1 326.827 3.695 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844439583 1137223449 /nfs/dbraw/zinc/22/34/49/1137223449.db2.gz PADCSVZGBAPDDZ-HNNXBMFYSA-N 1 1 326.774 3.864 20 30 EHEDMO COc1ccc(OC(F)(F)F)cc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001144005605 1137225092 /nfs/dbraw/zinc/22/50/92/1137225092.db2.gz XGEWSVJFOCCFND-LBPRGKRZSA-N 1 1 328.334 3.719 20 30 EHEDMO C=CC[C@H](C)C(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccc(OC)cc1 ZINC001144017798 1137229204 /nfs/dbraw/zinc/22/92/04/1137229204.db2.gz NCPNAPBVAUXMCA-PKOBYXMFSA-N 1 1 344.499 3.720 20 30 EHEDMO N#Cc1cncc(C[N@H+]2CCC[C@H](Oc3ccc(Cl)cc3)C2)c1 ZINC001144083606 1137237565 /nfs/dbraw/zinc/23/75/65/1137237565.db2.gz LFPMCRGLWZOMSV-SFHVURJKSA-N 1 1 327.815 3.650 20 30 EHEDMO N#Cc1cncc(C[N@@H+]2CCC[C@H](Oc3ccc(Cl)cc3)C2)c1 ZINC001144083606 1137237566 /nfs/dbraw/zinc/23/75/66/1137237566.db2.gz LFPMCRGLWZOMSV-SFHVURJKSA-N 1 1 327.815 3.650 20 30 EHEDMO C=C[C@@H](C)O[NH+]=Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000844623617 1137240684 /nfs/dbraw/zinc/24/06/84/1137240684.db2.gz OOFBBULLQXRXRM-CQSZACIVSA-N 1 1 343.452 3.572 20 30 EHEDMO C#CCCN(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000794801506 1137252074 /nfs/dbraw/zinc/25/20/74/1137252074.db2.gz BILDEEKDPXSYOS-QFIPXVFZSA-N 1 1 333.479 3.572 20 30 EHEDMO C#CCC[N@H+](Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000794801506 1137252075 /nfs/dbraw/zinc/25/20/75/1137252075.db2.gz BILDEEKDPXSYOS-QFIPXVFZSA-N 1 1 333.479 3.572 20 30 EHEDMO C#CCC[N@@H+](Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000794801506 1137252076 /nfs/dbraw/zinc/25/20/76/1137252076.db2.gz BILDEEKDPXSYOS-QFIPXVFZSA-N 1 1 333.479 3.572 20 30 EHEDMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cccc(CC)c1)C2 ZINC001144321156 1137271967 /nfs/dbraw/zinc/27/19/67/1137271967.db2.gz ATNNMLDXPXEEKW-RTWAWAEBSA-N 1 1 329.484 3.823 20 30 EHEDMO CCOc1ccc(/C=N\C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000794835848 1137275632 /nfs/dbraw/zinc/27/56/32/1137275632.db2.gz ZDOADFFBINZQNX-QWQBBLJPSA-N 1 1 338.451 3.732 20 30 EHEDMO Cc1c(F)cc([N+](=O)[O-])cc1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171184860 1137294119 /nfs/dbraw/zinc/29/41/19/1137294119.db2.gz CGBMCCGFJUAHHD-UHFFFAOYSA-N 1 1 339.326 3.938 20 30 EHEDMO Cc1cc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cc([N+](=O)[O-])c1C#N ZINC001171185341 1137295665 /nfs/dbraw/zinc/29/56/65/1137295665.db2.gz HFTBBCRMZCQBTG-UHFFFAOYSA-N 1 1 346.346 3.671 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(N)(c2ccccc2F)CC1 ZINC001171194211 1137300822 /nfs/dbraw/zinc/30/08/22/1137300822.db2.gz HRXWKFGXDKWPFB-INIZCTEOSA-N 1 1 337.442 3.578 20 30 EHEDMO N#CCc1ccsc1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000865648502 1137301564 /nfs/dbraw/zinc/30/15/64/1137301564.db2.gz CLVGOEWSLYDJKI-KRWDZBQOSA-N 1 1 345.512 3.589 20 30 EHEDMO C#Cc1ccc(C[N@@H+](C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001144581312 1137310634 /nfs/dbraw/zinc/31/06/34/1137310634.db2.gz PIKFSOBAJYVVJO-LJQANCHMSA-N 1 1 340.467 3.642 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)cc1 ZINC001144573256 1137311584 /nfs/dbraw/zinc/31/15/84/1137311584.db2.gz FJNZNUHDDMKJJV-QHCPKHFHSA-N 1 1 344.458 3.605 20 30 EHEDMO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000865787792 1137311923 /nfs/dbraw/zinc/31/19/23/1137311923.db2.gz YVYQWSAALOZPIH-UHFFFAOYSA-N 1 1 349.356 3.655 20 30 EHEDMO N#CCC[N@H+](Cc1c[nH]c2cc(Br)cnc12)C1CCCC1 ZINC001144700494 1137331738 /nfs/dbraw/zinc/33/17/38/1137331738.db2.gz FSVIQSYCGJXIQA-UHFFFAOYSA-N 1 1 347.260 3.984 20 30 EHEDMO C=CCC(F)(F)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000846100407 1137335242 /nfs/dbraw/zinc/33/52/42/1137335242.db2.gz LBTBMXREWFRQRL-CQSZACIVSA-N 1 1 342.455 3.548 20 30 EHEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866337604 1137347146 /nfs/dbraw/zinc/34/71/46/1137347146.db2.gz SRLOSTJJBMYUCU-FUHIMQAGSA-N 1 1 349.478 3.825 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)N1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001171225074 1137350711 /nfs/dbraw/zinc/35/07/11/1137350711.db2.gz XOHWWPCKFMOCIF-LEOXJPRUSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC001171225074 1137350713 /nfs/dbraw/zinc/35/07/13/1137350713.db2.gz XOHWWPCKFMOCIF-LEOXJPRUSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC001171225074 1137350714 /nfs/dbraw/zinc/35/07/14/1137350714.db2.gz XOHWWPCKFMOCIF-LEOXJPRUSA-N 1 1 345.490 3.696 20 30 EHEDMO C[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccc(F)cc1O ZINC000866448408 1137355656 /nfs/dbraw/zinc/35/56/56/1137355656.db2.gz FHXWMUWBDVZLRH-AWEZNQCLSA-N 1 1 339.414 3.723 20 30 EHEDMO Cc1cccnc1O[C@H]1CCC[N@H+]([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171232793 1137356062 /nfs/dbraw/zinc/35/60/62/1137356062.db2.gz WMKNXSUWBGEHMO-XLIONFOSSA-N 1 1 335.451 3.736 20 30 EHEDMO C#C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000847033395 1137383688 /nfs/dbraw/zinc/38/36/88/1137383688.db2.gz WUQYZEIIJWMYST-GFCCVEGCSA-N 1 1 325.239 3.667 20 30 EHEDMO N#CC1(Nc2ncc3ccsc3n2)CC[NH+](Cc2ccccc2)CC1 ZINC001171273883 1137387514 /nfs/dbraw/zinc/38/75/14/1137387514.db2.gz FDQWZNONWMXCBJ-UHFFFAOYSA-N 1 1 349.463 3.662 20 30 EHEDMO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2csc(C)n2)ccc1OC ZINC000772980503 1137406695 /nfs/dbraw/zinc/40/66/95/1137406695.db2.gz QGLDPMINFONIKR-WFASDCNBSA-N 1 1 345.468 3.992 20 30 EHEDMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)CCOCCC#N ZINC000339091004 1137448281 /nfs/dbraw/zinc/44/82/81/1137448281.db2.gz PZUQPZSRBSOWQC-HNNXBMFYSA-N 1 1 339.277 3.632 20 30 EHEDMO N#CCCOCC[N@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000339094100 1137465373 /nfs/dbraw/zinc/46/53/73/1137465373.db2.gz KVQVZYJVFAKLCY-HNNXBMFYSA-N 1 1 341.224 3.655 20 30 EHEDMO N#CCCOCC[N@@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000339094100 1137465374 /nfs/dbraw/zinc/46/53/74/1137465374.db2.gz KVQVZYJVFAKLCY-HNNXBMFYSA-N 1 1 341.224 3.655 20 30 EHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)C1 ZINC000339095636 1137469784 /nfs/dbraw/zinc/46/97/84/1137469784.db2.gz DKYVDGYNBNMEMD-HNAYVOBHSA-N 1 1 334.423 3.515 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H]1CCc3c(F)cccc3C1)C2 ZINC001171434552 1137481783 /nfs/dbraw/zinc/48/17/83/1137481783.db2.gz TZWJPUKSBJGMAI-WFXMLNOXSA-N 1 1 345.458 3.509 20 30 EHEDMO CCOC(=O)CC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC001171620995 1137500979 /nfs/dbraw/zinc/50/09/79/1137500979.db2.gz VHHZCXGRPALIBD-UHFFFAOYSA-N 1 1 342.361 3.741 20 30 EHEDMO C[C@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC001171670975 1137503132 /nfs/dbraw/zinc/50/31/32/1137503132.db2.gz NEOFNGQZOVVQFR-ZDUSSCGKSA-N 1 1 339.370 3.767 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC001171670975 1137503133 /nfs/dbraw/zinc/50/31/33/1137503133.db2.gz NEOFNGQZOVVQFR-ZDUSSCGKSA-N 1 1 339.370 3.767 20 30 EHEDMO C[C@@H]1C[C@@H](NCc2ccc(Cl)c(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC001171739751 1137511158 /nfs/dbraw/zinc/51/11/58/1137511158.db2.gz GEJHDRNJKWVBPX-DNVCBOLYSA-N 1 1 339.870 3.964 20 30 EHEDMO C[C@@H]1C[C@@H](NCc2ccc(Cl)c(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC001171739751 1137511160 /nfs/dbraw/zinc/51/11/60/1137511160.db2.gz GEJHDRNJKWVBPX-DNVCBOLYSA-N 1 1 339.870 3.964 20 30 EHEDMO N#CCC[N@@H+](C1CCCC1)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171894931 1137517460 /nfs/dbraw/zinc/51/74/60/1137517460.db2.gz MQSZIPOIYQZORR-HXUWFJFHSA-N 1 1 339.483 3.840 20 30 EHEDMO CCC1(CC)CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC001171955050 1137518757 /nfs/dbraw/zinc/51/87/57/1137518757.db2.gz WQFBOEMBSWMHPB-AWEZNQCLSA-N 1 1 331.460 3.997 20 30 EHEDMO CCC1(CC)CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC001171955050 1137518758 /nfs/dbraw/zinc/51/87/58/1137518758.db2.gz WQFBOEMBSWMHPB-AWEZNQCLSA-N 1 1 331.460 3.997 20 30 EHEDMO C[C@]1(C#N)CC[N@H+](C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001171998563 1137522909 /nfs/dbraw/zinc/52/29/09/1137522909.db2.gz KGFJLNWLDSZETB-QGZVFWFLSA-N 1 1 348.288 3.653 20 30 EHEDMO C#CCCC1(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)N=N1 ZINC001171975858 1137525319 /nfs/dbraw/zinc/52/53/19/1137525319.db2.gz GTVANLZZRNPTDA-LJQANCHMSA-N 1 1 338.499 3.985 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@H](C#N)C2)CC12CCCCC2 ZINC001172059815 1137528641 /nfs/dbraw/zinc/52/86/41/1137528641.db2.gz VVWNQYXRKNLTTA-SJORKVTESA-N 1 1 347.503 3.934 20 30 EHEDMO COC(=O)CC[N@@H+](Cc1ccccc1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172306175 1137545657 /nfs/dbraw/zinc/54/56/57/1137545657.db2.gz JAVJYLYPGLWRKL-QGZVFWFLSA-N 1 1 336.435 3.555 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC001172309549 1137545924 /nfs/dbraw/zinc/54/59/24/1137545924.db2.gz UYNZJWWERYJMMI-UWJYYQICSA-N 1 1 348.446 3.697 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC001172309549 1137545925 /nfs/dbraw/zinc/54/59/25/1137545925.db2.gz UYNZJWWERYJMMI-UWJYYQICSA-N 1 1 348.446 3.697 20 30 EHEDMO CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172310856 1137545979 /nfs/dbraw/zinc/54/59/79/1137545979.db2.gz KFDBRBOOGYHFQA-INIZCTEOSA-N 1 1 345.487 3.678 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001172313357 1137546470 /nfs/dbraw/zinc/54/64/70/1137546470.db2.gz VOEFXMCNRPFNES-JTSKRJEESA-N 1 1 345.446 3.904 20 30 EHEDMO CCCC[C@@](CC)([NH2+][C@H](C)Cc1ccc(C#N)cc1)C(=O)OCC ZINC001172297420 1137548689 /nfs/dbraw/zinc/54/86/89/1137548689.db2.gz PIAXUXLVQUVOBA-OXQOHEQNSA-N 1 1 330.472 3.981 20 30 EHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](C)CCO[C@@H](C)CC)CC2 ZINC001172328205 1137550325 /nfs/dbraw/zinc/55/03/25/1137550325.db2.gz DITZUZZVBUKYGE-HBFSDRIKSA-N 1 1 336.520 3.613 20 30 EHEDMO CCCCCCC[C@H](CC)[N@@H+]1CCn2c(Br)nnc2C1 ZINC001172353727 1137553976 /nfs/dbraw/zinc/55/39/76/1137553976.db2.gz AXOUPPVTFRGLOG-ZDUSSCGKSA-N 1 1 343.313 3.995 20 30 EHEDMO CCCCCCC[C@H](CC)[N@H+]1CCn2c(Br)nnc2C1 ZINC001172353727 1137553978 /nfs/dbraw/zinc/55/39/78/1137553978.db2.gz AXOUPPVTFRGLOG-ZDUSSCGKSA-N 1 1 343.313 3.995 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@H](c3nc(C)cs3)C2)c1O ZINC000872807274 1137584661 /nfs/dbraw/zinc/58/46/61/1137584661.db2.gz MBJDFKARWACJOM-HNNXBMFYSA-N 1 1 344.480 3.884 20 30 EHEDMO C[N@H+]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)CCC1(C)C ZINC000875617107 1137635911 /nfs/dbraw/zinc/63/59/11/1137635911.db2.gz BUSAWQZHGNQDAX-GOSISDBHSA-N 1 1 342.487 3.547 20 30 EHEDMO CC(C)[N@H+](CCC#N)Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000876610643 1137656894 /nfs/dbraw/zinc/65/68/94/1137656894.db2.gz GTEUJZHSLNEBHI-UHFFFAOYSA-N 1 1 331.460 3.835 20 30 EHEDMO CC(C)[N@@H+](CCC#N)Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000876610643 1137656895 /nfs/dbraw/zinc/65/68/95/1137656895.db2.gz GTEUJZHSLNEBHI-UHFFFAOYSA-N 1 1 331.460 3.835 20 30 EHEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000876650080 1137658253 /nfs/dbraw/zinc/65/82/53/1137658253.db2.gz NAKNNCXANBJOLN-KRWDZBQOSA-N 1 1 341.842 3.822 20 30 EHEDMO C=CC[C@@H]([NH2+]Cc1nnn(-c2ccccc2)c1C1CC1)c1ccncc1 ZINC000877047149 1137668705 /nfs/dbraw/zinc/66/87/05/1137668705.db2.gz YFLXGATTWQHIIV-LJQANCHMSA-N 1 1 345.450 3.947 20 30 EHEDMO CC[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc(OC)c(OC)c1 ZINC000877515634 1137679241 /nfs/dbraw/zinc/67/92/41/1137679241.db2.gz KRCDHWGZPNHTCD-HNNXBMFYSA-N 1 1 345.830 3.865 20 30 EHEDMO N#CC1(c2ccc(C[N@@H+]3Cc4cccnc4N4CCC[C@H]4C3)cc2)CC1 ZINC000877764191 1137688751 /nfs/dbraw/zinc/68/87/51/1137688751.db2.gz WRMCGEPQSMVDHB-FQEVSTJZSA-N 1 1 344.462 3.621 20 30 EHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC2(CO1)CCOCC2 ZINC000878010205 1137699346 /nfs/dbraw/zinc/69/93/46/1137699346.db2.gz KVLBGSPIIZMUFA-FQEVSTJZSA-N 1 1 342.483 3.602 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCCc2sccc2C1)c1ccccc1 ZINC000878086069 1137701649 /nfs/dbraw/zinc/70/16/49/1137701649.db2.gz YNTSDMFEEMIBSS-HXUWFJFHSA-N 1 1 338.476 3.937 20 30 EHEDMO CC[N@H+]1CC[C@@H]1CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000878218373 1137707558 /nfs/dbraw/zinc/70/75/58/1137707558.db2.gz OUNINWYVJRKSRZ-WOJBJXKFSA-N 1 1 348.450 3.558 20 30 EHEDMO CCC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)C[C@H]1CCCCO1 ZINC000878238829 1137708179 /nfs/dbraw/zinc/70/81/79/1137708179.db2.gz FKILOFVZDKBESV-NHCUHLMSSA-N 1 1 342.483 3.708 20 30 EHEDMO C#CCn1ccc(C[N@H+](CC)C[C@@H]2CCC[C@H](c3ccccc3)O2)n1 ZINC000878528199 1137719077 /nfs/dbraw/zinc/71/90/77/1137719077.db2.gz PMYHFFXGTLSCEV-LEWJYISDSA-N 1 1 337.467 3.649 20 30 EHEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2CCC[C@H](c3ccccc3)O2)n1 ZINC000878528199 1137719078 /nfs/dbraw/zinc/71/90/78/1137719078.db2.gz PMYHFFXGTLSCEV-LEWJYISDSA-N 1 1 337.467 3.649 20 30 EHEDMO COc1cccc([C@H]2C[N@H+](Cc3ccccc3C(C)(C)C#N)CCN2)c1 ZINC000879526404 1137749898 /nfs/dbraw/zinc/74/98/98/1137749898.db2.gz ZLDPWGWJZDDTMF-OAQYLSRUSA-N 1 1 349.478 3.643 20 30 EHEDMO COc1cccc([C@H]2C[N@@H+](Cc3ccccc3C(C)(C)C#N)CCN2)c1 ZINC000879526404 1137749899 /nfs/dbraw/zinc/74/98/99/1137749899.db2.gz ZLDPWGWJZDDTMF-OAQYLSRUSA-N 1 1 349.478 3.643 20 30 EHEDMO N#Cc1ccc(F)c(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)c1 ZINC000879548666 1137750422 /nfs/dbraw/zinc/75/04/22/1137750422.db2.gz GHFVSXNIGJNQID-UHFFFAOYSA-N 1 1 340.402 3.727 20 30 EHEDMO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880099071 1137768191 /nfs/dbraw/zinc/76/81/91/1137768191.db2.gz DQKFGCAAIKMXRT-LLVKDONJSA-N 1 1 335.329 3.831 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880235541 1137771713 /nfs/dbraw/zinc/77/17/13/1137771713.db2.gz PBPRGLQUEDKHJC-GJZGRUSLSA-N 1 1 349.475 3.701 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000880235541 1137771714 /nfs/dbraw/zinc/77/17/14/1137771714.db2.gz PBPRGLQUEDKHJC-GJZGRUSLSA-N 1 1 349.475 3.701 20 30 EHEDMO N#CCc1cccc2c1CC[N@@H+](CC(=O)C13CC4CC(CC(C4)C1)C3)C2 ZINC000626130467 1137775581 /nfs/dbraw/zinc/77/55/81/1137775581.db2.gz VBUAXWRFCIYWFN-UHFFFAOYSA-N 1 1 348.490 3.896 20 30 EHEDMO N#CCc1cccc2c1CC[N@H+](CC(=O)C13CC4CC(CC(C4)C1)C3)C2 ZINC000626130467 1137775582 /nfs/dbraw/zinc/77/55/82/1137775582.db2.gz VBUAXWRFCIYWFN-UHFFFAOYSA-N 1 1 348.490 3.896 20 30 EHEDMO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cccc3cccnc31)CC2 ZINC001137174545 1137823593 /nfs/dbraw/zinc/82/35/93/1137823593.db2.gz HHYGECJYGNMIJG-JOCHJYFZSA-N 1 1 349.478 3.768 20 30 EHEDMO Cc1cc(N2CCC[C@H](CF)C2)c(C#N)c(N2CCC[C@@H](CF)C2)[nH+]1 ZINC000882802938 1137834727 /nfs/dbraw/zinc/83/47/27/1137834727.db2.gz XKAJZDSGJIDBRK-CVEARBPZSA-N 1 1 348.441 3.634 20 30 EHEDMO COc1ccc(CN[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1C#N ZINC000282839679 1137872363 /nfs/dbraw/zinc/87/23/63/1137872363.db2.gz OSWMTIBZVNSYKI-SFHVURJKSA-N 1 1 343.858 3.613 20 30 EHEDMO Cc1cccc2ncc(C[N@H+]3CCC[C@@H](Oc4cccc(C#N)c4)C3)n21 ZINC001137197713 1137873173 /nfs/dbraw/zinc/87/31/73/1137873173.db2.gz IKOWSGZPZYTZSY-HXUWFJFHSA-N 1 1 346.434 3.558 20 30 EHEDMO C=CCCC[C@@H](NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000883858945 1137875506 /nfs/dbraw/zinc/87/55/06/1137875506.db2.gz XTEBGMQFBSUAQL-TZIWHRDSSA-N 1 1 341.499 3.821 20 30 EHEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)CCC(=O)Nc2ccccc2C#N)s1 ZINC000106875021 1137884744 /nfs/dbraw/zinc/88/47/44/1137884744.db2.gz ACGYQRYCCGMEQY-ZDUSSCGKSA-N 1 1 342.468 3.653 20 30 EHEDMO CCC[N@@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C1CC1 ZINC000108372768 1137889551 /nfs/dbraw/zinc/88/95/51/1137889551.db2.gz KSMVBJBFGNXZTN-CQSZACIVSA-N 1 1 331.485 3.894 20 30 EHEDMO Cn1cc(CC[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 ZINC000348277534 1137892181 /nfs/dbraw/zinc/89/21/81/1137892181.db2.gz RJEPGYZWIBONEW-UHFFFAOYSA-N 1 1 348.425 3.676 20 30 EHEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000115552399 1137922287 /nfs/dbraw/zinc/92/22/87/1137922287.db2.gz KYPXHYBPNIZHPG-VQIMIIECSA-N 1 1 333.435 3.765 20 30 EHEDMO O[C@@H](C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC000117354221 1137930123 /nfs/dbraw/zinc/93/01/23/1137930123.db2.gz GRUQSZFYHDMKJP-NSHDSACASA-N 1 1 345.258 3.676 20 30 EHEDMO O[C@@H](C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC000117354221 1137930124 /nfs/dbraw/zinc/93/01/24/1137930124.db2.gz GRUQSZFYHDMKJP-NSHDSACASA-N 1 1 345.258 3.676 20 30 EHEDMO Cc1cccc(C(=O)N2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000118392427 1137933660 /nfs/dbraw/zinc/93/36/60/1137933660.db2.gz FLBYRYDALRPXBT-GOSISDBHSA-N 1 1 347.462 3.776 20 30 EHEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)ccc1F ZINC000134807725 1137960920 /nfs/dbraw/zinc/96/09/20/1137960920.db2.gz YWSDAUXDVWXQGV-ICSRJNTNSA-N 1 1 342.389 3.925 20 30 EHEDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1ccccc1C(C)(C)C#N ZINC000135239757 1137964752 /nfs/dbraw/zinc/96/47/52/1137964752.db2.gz RPUNFOMHSVYPCI-UHFFFAOYSA-N 1 1 345.487 3.834 20 30 EHEDMO CCC[N@@H+](C[C@@H](O)CC1(C#N)CCC1)[C@H](C)c1ccccc1OC ZINC000885969543 1138029248 /nfs/dbraw/zinc/02/92/48/1138029248.db2.gz VRKZYSLOFUMJLA-SJORKVTESA-N 1 1 330.472 3.913 20 30 EHEDMO N#CC1(C[C@H](O)C[N@@H+](CCc2ccccc2)Cc2cccnc2)CCC1 ZINC000886171513 1138055367 /nfs/dbraw/zinc/05/53/67/1138055367.db2.gz IIDBALWUDGAMEB-NRFANRHFSA-N 1 1 349.478 3.571 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000886353445 1138070215 /nfs/dbraw/zinc/07/02/15/1138070215.db2.gz JKHDQGXHWODLMF-GFCCVEGCSA-N 1 1 335.329 3.601 20 30 EHEDMO CCC[N@H+]1Cc2cccc(N[C@@H](C)C(=O)Nc3ccccc3C#N)c2C1 ZINC000066968546 1138079354 /nfs/dbraw/zinc/07/93/54/1138079354.db2.gz UMSKOYNABJVAON-HNNXBMFYSA-N 1 1 348.450 3.723 20 30 EHEDMO C=CCn1cc2ccc(NC(=O)C[C@H](C)n3cc[nH+]c3CC)cc2n1 ZINC000886649290 1138106684 /nfs/dbraw/zinc/10/66/84/1138106684.db2.gz WLROSISRUORGMO-AWEZNQCLSA-N 1 1 337.427 3.571 20 30 EHEDMO C=CCCC[N@H+](C)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000076736096 1138134267 /nfs/dbraw/zinc/13/42/67/1138134267.db2.gz OBEBWAZMYQIGHT-UHFFFAOYSA-N 1 1 340.471 3.634 20 30 EHEDMO C=CCC1(O)CC[NH+]([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000886762467 1138134388 /nfs/dbraw/zinc/13/43/88/1138134388.db2.gz ZHIIIYJYDZSWER-CQSZACIVSA-N 1 1 345.418 3.648 20 30 EHEDMO C#CCC1(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCC1 ZINC000886794078 1138142322 /nfs/dbraw/zinc/14/23/22/1138142322.db2.gz DRWDXZOFJBHPEE-KRWDZBQOSA-N 1 1 339.483 3.555 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000886890693 1138166938 /nfs/dbraw/zinc/16/69/38/1138166938.db2.gz PYJNLVGWBVMAIT-HLIPFELVSA-N 1 1 347.503 3.792 20 30 EHEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(N2CCCC2=O)c1 ZINC000090117617 1138209493 /nfs/dbraw/zinc/20/94/93/1138209493.db2.gz XWFJRNNFSYHJOG-CQSZACIVSA-N 1 1 337.398 3.675 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)cc1Cl ZINC000091832203 1138222094 /nfs/dbraw/zinc/22/20/94/1138222094.db2.gz JPKKPDUNCFWTMP-OAHLLOKOSA-N 1 1 347.846 3.976 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)cc1Cl ZINC000091855712 1138222490 /nfs/dbraw/zinc/22/24/90/1138222490.db2.gz YFPXGIXWNWHUGO-DOTOQJQBSA-N 1 1 339.888 3.611 20 30 EHEDMO CSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000122876621 1138263306 /nfs/dbraw/zinc/26/33/06/1138263306.db2.gz OGXGYARDTSJGRT-AWEZNQCLSA-N 1 1 339.464 3.912 20 30 EHEDMO CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000122876621 1138263309 /nfs/dbraw/zinc/26/33/09/1138263309.db2.gz OGXGYARDTSJGRT-AWEZNQCLSA-N 1 1 339.464 3.912 20 30 EHEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000126425948 1138330722 /nfs/dbraw/zinc/33/07/22/1138330722.db2.gz KOVOGKADSKGTQS-DLBZAZTESA-N 1 1 327.428 3.591 20 30 EHEDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000126962816 1138343343 /nfs/dbraw/zinc/34/33/43/1138343343.db2.gz FSZGKCDLMUOKFS-GUYCJALGSA-N 1 1 337.448 3.894 20 30 EHEDMO CC[N@@H+](Cc1cnn(C)c1C(F)(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000336878788 1138419240 /nfs/dbraw/zinc/41/92/40/1138419240.db2.gz IRFGJGCNPKFTSD-GFCCVEGCSA-N 1 1 336.361 3.894 20 30 EHEDMO CC[N@H+](Cc1ccc(S(C)(=O)=O)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000336879030 1138419470 /nfs/dbraw/zinc/41/94/70/1138419470.db2.gz KVHMSMFIAKXCQM-OAHLLOKOSA-N 1 1 342.464 3.545 20 30 EHEDMO CC[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000336879030 1138419473 /nfs/dbraw/zinc/41/94/73/1138419473.db2.gz KVHMSMFIAKXCQM-OAHLLOKOSA-N 1 1 342.464 3.545 20 30 EHEDMO COc1ccccc1C[N@@H+](Cc1ccc(C#N)s1)C[C@H]1CCCO1 ZINC000130229842 1138443113 /nfs/dbraw/zinc/44/31/13/1138443113.db2.gz NNTRGQKMDOWODO-MRXNPFEDSA-N 1 1 342.464 3.810 20 30 EHEDMO COc1ccccc1C[N@H+](Cc1ccc(C#N)s1)C[C@H]1CCCO1 ZINC000130229842 1138443114 /nfs/dbraw/zinc/44/31/14/1138443114.db2.gz NNTRGQKMDOWODO-MRXNPFEDSA-N 1 1 342.464 3.810 20 30 EHEDMO COc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)c(OC)c1OC ZINC000130407272 1138453411 /nfs/dbraw/zinc/45/34/11/1138453411.db2.gz VOOLDWSCDKCBRU-QGZVFWFLSA-N 1 1 340.423 3.847 20 30 EHEDMO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(OC)c(C#N)c2)o1 ZINC000131060015 1138493718 /nfs/dbraw/zinc/49/37/18/1138493718.db2.gz CNNDDOVLNWLFLV-KRWDZBQOSA-N 1 1 326.396 3.643 20 30 EHEDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(OC)c(C#N)c2)o1 ZINC000131060015 1138493720 /nfs/dbraw/zinc/49/37/20/1138493720.db2.gz CNNDDOVLNWLFLV-KRWDZBQOSA-N 1 1 326.396 3.643 20 30 EHEDMO N#CCSCCC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000131175217 1138500113 /nfs/dbraw/zinc/50/01/13/1138500113.db2.gz BXETYDLOEQTMFB-KRWDZBQOSA-N 1 1 346.521 3.931 20 30 EHEDMO CC[N@@H+](CCC(=O)N(C)CCC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000131262590 1138505740 /nfs/dbraw/zinc/50/57/40/1138505740.db2.gz ZJRGYCGVQNVDJS-HNNXBMFYSA-N 1 1 327.428 3.578 20 30 EHEDMO Cc1nc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)ccc1C#N ZINC000337251455 1138509187 /nfs/dbraw/zinc/50/91/87/1138509187.db2.gz NVIHWWXINFIHMU-HNNXBMFYSA-N 1 1 348.450 3.746 20 30 EHEDMO COc1ccc(C[NH2+][C@@H](C)c2ccncc2F)cc1OCCCC#N ZINC000337948900 1138705316 /nfs/dbraw/zinc/70/53/16/1138705316.db2.gz XGLLKFYZSHLGIM-AWEZNQCLSA-N 1 1 343.402 3.763 20 30 EHEDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135175152 1138731611 /nfs/dbraw/zinc/73/16/11/1138731611.db2.gz RUWHGVOWEVILEH-QGZVFWFLSA-N 1 1 341.499 3.616 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000135242443 1138736672 /nfs/dbraw/zinc/73/66/72/1138736672.db2.gz RNMIEBQWAXCYGL-UHFFFAOYSA-N 1 1 339.405 3.558 20 30 EHEDMO CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000153618785 1139144735 /nfs/dbraw/zinc/14/47/35/1139144735.db2.gz PRNYVVTUEPMJJO-GOSISDBHSA-N 1 1 349.434 3.517 20 30 EHEDMO C=C1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000890516697 1139369046 /nfs/dbraw/zinc/36/90/46/1139369046.db2.gz LFSBTFGDWCALBG-JOCHJYFZSA-N 1 1 338.495 3.857 20 30 EHEDMO COc1cccc(C[NH2+]Cc2ccc(C#N)o2)c1OC1CCCC1 ZINC000174387319 1139417344 /nfs/dbraw/zinc/41/73/44/1139417344.db2.gz HERKNVHPEILQIC-UHFFFAOYSA-N 1 1 326.396 3.771 20 30 EHEDMO N#Cc1cc(F)ccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000177572535 1139626819 /nfs/dbraw/zinc/62/68/19/1139626819.db2.gz JFZOHTUXJWVMTA-MRXNPFEDSA-N 1 1 337.398 3.548 20 30 EHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(N2CCCC2=O)c1 ZINC000177858922 1139647524 /nfs/dbraw/zinc/64/75/24/1139647524.db2.gz XMQDRUWEIZXLDJ-AWEZNQCLSA-N 1 1 337.398 3.675 20 30 EHEDMO CC[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1ccc(F)cc1F ZINC000179625546 1139769656 /nfs/dbraw/zinc/76/96/56/1139769656.db2.gz LOZJFHVWAVGCTN-INIZCTEOSA-N 1 1 347.365 3.726 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000179918446 1139792813 /nfs/dbraw/zinc/79/28/13/1139792813.db2.gz OXNGULWJZWBSFV-QGZVFWFLSA-N 1 1 339.483 3.626 20 30 EHEDMO C[C@H](NC1CC[NH+](C2CCCC2)CC1)c1ccc(OCC#N)cc1 ZINC000180543011 1139843715 /nfs/dbraw/zinc/84/37/15/1139843715.db2.gz SQIBGNZOASJPOW-INIZCTEOSA-N 1 1 327.472 3.647 20 30 EHEDMO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1cc(OC)c(OC)cc1F ZINC000183483278 1140041904 /nfs/dbraw/zinc/04/19/04/1140041904.db2.gz VRFONJCNSNINCT-GFCCVEGCSA-N 1 1 344.386 3.574 20 30 EHEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccncc2)cc1OCCCC#N ZINC000183707178 1140054046 /nfs/dbraw/zinc/05/40/46/1140054046.db2.gz LJWDVSKNPRKELF-INIZCTEOSA-N 1 1 339.439 3.966 20 30 EHEDMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1nc(C)cs1 ZINC000184369713 1140099357 /nfs/dbraw/zinc/09/93/57/1140099357.db2.gz OCUWKVRFIHODKA-SMDDNHRTSA-N 1 1 346.456 3.601 20 30 EHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@]23CCOC3=O)cc1 ZINC000186632708 1140214713 /nfs/dbraw/zinc/21/47/13/1140214713.db2.gz OXYFEWLQRDQKGY-NRFANRHFSA-N 1 1 332.403 3.507 20 30 EHEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)Nc1nccs1)c1ccc(F)c(F)c1 ZINC000187789793 1140271638 /nfs/dbraw/zinc/27/16/38/1140271638.db2.gz CDIGZKWIMIZQHT-YGRLFVJLSA-N 1 1 337.395 3.655 20 30 EHEDMO N#Cc1cccc(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)c1 ZINC000193146781 1140564827 /nfs/dbraw/zinc/56/48/27/1140564827.db2.gz AHKBLSPLNURHHQ-UHFFFAOYSA-N 1 1 326.827 3.695 20 30 EHEDMO C=CCCCCC[N@H+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000193305023 1140571047 /nfs/dbraw/zinc/57/10/47/1140571047.db2.gz UZMJXNUVSYCEDA-UHFFFAOYSA-N 1 1 331.460 3.652 20 30 EHEDMO Cc1ccc(CN2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1C#N ZINC000717482976 1140666426 /nfs/dbraw/zinc/66/64/26/1140666426.db2.gz BVIGNQSLLAIMII-UHFFFAOYSA-N 1 1 333.479 3.963 20 30 EHEDMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)[C@@H](C)CO1 ZINC000266504098 1140695477 /nfs/dbraw/zinc/69/54/77/1140695477.db2.gz AZQAYFPLZCBCJM-UWJYYQICSA-N 1 1 336.435 3.859 20 30 EHEDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H](C)CO1 ZINC000266504098 1140695480 /nfs/dbraw/zinc/69/54/80/1140695480.db2.gz AZQAYFPLZCBCJM-UWJYYQICSA-N 1 1 336.435 3.859 20 30 EHEDMO CC(C)(C)[N@@H+](CCCSCC#N)CC(=O)Nc1ccc(F)cc1 ZINC000269248621 1141084612 /nfs/dbraw/zinc/08/46/12/1141084612.db2.gz AKMMHFJTKDCDMN-UHFFFAOYSA-N 1 1 337.464 3.512 20 30 EHEDMO CC[N@@H+](Cc1c(C)nc2sc(C)nn12)[C@@H](C)c1ccc(C#N)cc1 ZINC000271117763 1141309868 /nfs/dbraw/zinc/30/98/68/1141309868.db2.gz WUJYHAKBGXPYNU-ZDUSSCGKSA-N 1 1 339.468 3.862 20 30 EHEDMO C[C@H](c1cccc(Nc2snc(Cl)c2C#N)c1)[NH+]1CCOCC1 ZINC000271299656 1141342162 /nfs/dbraw/zinc/34/21/62/1141342162.db2.gz JWSGDPSPRJIMEJ-LLVKDONJSA-N 1 1 348.859 3.805 20 30 EHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1c1cccs1 ZINC000021473221 212226408 /nfs/dbraw/zinc/22/64/08/212226408.db2.gz HMYOFPMSIWZJQG-ZDUSSCGKSA-N 1 1 331.466 3.847 20 30 EHEDMO C[N@@H+](Cc1ccccn1)[C@H]1CCCN(c2cccc(F)c2C#N)CC1 ZINC000275883875 564010253 /nfs/dbraw/zinc/01/02/53/564010253.db2.gz YVQSAOFYJYXNRR-KRWDZBQOSA-N 1 1 338.430 3.583 20 30 EHEDMO C=C(C)C[N@H+](C)Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000497121929 1014263905 /nfs/dbraw/zinc/26/39/05/1014263905.db2.gz AGWLIZHLCHVDFU-UHFFFAOYSA-N 1 1 334.261 3.951 20 30 EHEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000579727029 1014309015 /nfs/dbraw/zinc/30/90/15/1014309015.db2.gz MAXIQKQFRJYNRU-MCYKXBRJSA-N 1 1 337.467 3.707 20 30 EHEDMO C=CCC[C@@H](C(=O)N(C)CCCn1cc[nH+]c1C)c1ccccc1 ZINC000187052644 1014906570 /nfs/dbraw/zinc/90/65/70/1014906570.db2.gz SFQHBZLQBWSOOC-LJQANCHMSA-N 1 1 325.456 3.790 20 30 EHEDMO C=CCc1cc(C[N@H+](C)Cc2ccc(OC)c(F)c2)c(O)c(OC)c1 ZINC000120510786 1015351918 /nfs/dbraw/zinc/35/19/18/1015351918.db2.gz HQBIUKYFZULZQL-UHFFFAOYSA-N 1 1 345.414 3.909 20 30 EHEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccc(C#N)c1Cl ZINC000342823896 1015424656 /nfs/dbraw/zinc/42/46/56/1015424656.db2.gz JTJKHOIFXNRKOP-MRXNPFEDSA-N 1 1 340.858 3.565 20 30 EHEDMO COc1cc(C[N@@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)ccc1C#N ZINC000579892706 1016525728 /nfs/dbraw/zinc/52/57/28/1016525728.db2.gz AQWZEDXOGPASLZ-IRXDYDNUSA-N 1 1 338.451 3.553 20 30 EHEDMO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000141416736 1016626905 /nfs/dbraw/zinc/62/69/05/1016626905.db2.gz LNGAETRDMDUAGO-GOSISDBHSA-N 1 1 340.858 3.880 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)N2CCC[N@H+](C(C)C)CC2)c1 ZINC000069682661 1016797706 /nfs/dbraw/zinc/79/77/06/1016797706.db2.gz BVGJFLUTGGTMPI-UHFFFAOYSA-N 1 1 331.460 3.590 20 30 EHEDMO FC(F)(F)c1ccc(C#CC[NH2+]Cc2ccc3c(n2)CCC3)cc1 ZINC000584336918 1032154095 /nfs/dbraw/zinc/15/40/95/1032154095.db2.gz USDOGJJPWYDJND-UHFFFAOYSA-N 1 1 330.353 3.730 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc([C@H](NC(=O)c2ccccc2)C(C)C)no1 ZINC000904717762 1032207079 /nfs/dbraw/zinc/20/70/79/1032207079.db2.gz LFEXVJDISYBQQM-JKSUJKDBSA-N 1 1 342.443 3.553 20 30 EHEDMO CC[C@H]1CCC[N@H+]1Cc1ccc(-c2cc(C#N)c(=O)n(C)c2C)cc1 ZINC000904760862 1032214447 /nfs/dbraw/zinc/21/44/47/1032214447.db2.gz SSELPTFZMBJSLO-IBGZPJMESA-N 1 1 335.451 3.607 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)cc1F)C[C@@H]1COc2ccccc2O1 ZINC000026665103 1032316515 /nfs/dbraw/zinc/31/65/15/1032316515.db2.gz QAZUQTVPILZCRY-QGZVFWFLSA-N 1 1 340.398 3.749 20 30 EHEDMO C[N@H+]1CCN(Cc2ccccc2C(C)(C)C#N)[C@@H](c2ccccc2)C1 ZINC000538377232 1032327641 /nfs/dbraw/zinc/32/76/41/1032327641.db2.gz IOHZZYCCCDCCDS-OAQYLSRUSA-N 1 1 333.479 3.976 20 30 EHEDMO CN1CC[N@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](c2ccccc2)C1 ZINC000538377232 1032327651 /nfs/dbraw/zinc/32/76/51/1032327651.db2.gz IOHZZYCCCDCCDS-OAQYLSRUSA-N 1 1 333.479 3.976 20 30 EHEDMO CN1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](c2ccccc2)C1 ZINC000538377232 1032327661 /nfs/dbraw/zinc/32/76/61/1032327661.db2.gz IOHZZYCCCDCCDS-OAQYLSRUSA-N 1 1 333.479 3.976 20 30 EHEDMO COC(=O)[C@H](Nc1ccc([NH+]2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000083029160 1032385993 /nfs/dbraw/zinc/38/59/93/1032385993.db2.gz FHUYZNMGDKZBOY-HXUWFJFHSA-N 1 1 349.434 3.875 20 30 EHEDMO CO[C@@H](Cc1ccc(F)cc1)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000528526363 1032404020 /nfs/dbraw/zinc/40/40/20/1032404020.db2.gz NPRWIBINZPRACK-YWZLYKJASA-N 1 1 326.415 3.948 20 30 EHEDMO C[C@@H]1C[C@H](NCc2ccc(-c3ccccc3C#N)cc2)C[N@@H+]1C1CC1 ZINC000537012223 1032482492 /nfs/dbraw/zinc/48/24/92/1032482492.db2.gz JEONRGKLCZLJJT-UZLBHIALSA-N 1 1 331.463 3.940 20 30 EHEDMO C[C@@H]1C[C@H](NCc2ccc(-c3ccccc3C#N)cc2)C[N@H+]1C1CC1 ZINC000537012223 1032482498 /nfs/dbraw/zinc/48/24/98/1032482498.db2.gz JEONRGKLCZLJJT-UZLBHIALSA-N 1 1 331.463 3.940 20 30 EHEDMO C[C@@H](CSc1ccccc1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000593047372 1032680452 /nfs/dbraw/zinc/68/04/52/1032680452.db2.gz ZPJSYIOJKOVSHZ-ZDUSSCGKSA-N 1 1 345.493 3.671 20 30 EHEDMO C[C@@H](CSc1ccccc1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000593047372 1032680459 /nfs/dbraw/zinc/68/04/59/1032680459.db2.gz ZPJSYIOJKOVSHZ-ZDUSSCGKSA-N 1 1 345.493 3.671 20 30 EHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1F ZINC000340977493 1017241238 /nfs/dbraw/zinc/24/12/38/1017241238.db2.gz MQEUXDGOOPZEEO-QGZVFWFLSA-N 1 1 334.398 3.712 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC(C)(C)CCC#N)C1 ZINC000377050926 1017292324 /nfs/dbraw/zinc/29/23/24/1017292324.db2.gz LMXYDLISFKPJSR-ZWKOTPCHSA-N 1 1 348.535 3.612 20 30 EHEDMO N#CC1(CCC[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)CCOCC1 ZINC000377108287 1017334513 /nfs/dbraw/zinc/33/45/13/1017334513.db2.gz ZKGDZLBSIVLPKZ-SFHVURJKSA-N 1 1 348.874 3.894 20 30 EHEDMO C=CCCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000472743901 1017684634 /nfs/dbraw/zinc/68/46/34/1017684634.db2.gz BVFHUYBHLIZYOH-DLBZAZTESA-N 1 1 335.879 3.741 20 30 EHEDMO C=CCCCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000472743901 1017684640 /nfs/dbraw/zinc/68/46/40/1017684640.db2.gz BVFHUYBHLIZYOH-DLBZAZTESA-N 1 1 335.879 3.741 20 30 EHEDMO CC[N@@H+](C)C[C@H]1CCN(c2c(C#N)cnc3c(Cl)cc(C)cc32)C1 ZINC000549263479 1017951870 /nfs/dbraw/zinc/95/18/70/1017951870.db2.gz XGJIRINESDSSEV-CQSZACIVSA-N 1 1 342.874 3.846 20 30 EHEDMO C[C@H]([NH2+]CCOc1ccccc1C#N)c1nc(C(F)(F)F)cs1 ZINC000278920896 1018016802 /nfs/dbraw/zinc/01/68/02/1018016802.db2.gz LOPNZAMUZZRMPE-JTQLQIEISA-N 1 1 341.358 3.763 20 30 EHEDMO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000471479669 1018134759 /nfs/dbraw/zinc/13/47/59/1018134759.db2.gz HYJMBIDYPDHPNK-GOSISDBHSA-N 1 1 341.455 3.670 20 30 EHEDMO N#Cc1ccc(OC2CC[NH+](Cc3cccc(F)c3O)CC2)c(F)c1 ZINC000377702125 1018217129 /nfs/dbraw/zinc/21/71/29/1018217129.db2.gz OWWKQGIMAVXCEN-UHFFFAOYSA-N 1 1 344.361 3.585 20 30 EHEDMO C[C@H](C#N)Oc1ccc(CNCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000728711824 1018378950 /nfs/dbraw/zinc/37/89/50/1018378950.db2.gz LNFVKWDSYRMBFS-DLBZAZTESA-N 1 1 329.488 3.578 20 30 EHEDMO C[C@H](C#N)Oc1ccc(CNCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000728711824 1018378964 /nfs/dbraw/zinc/37/89/64/1018378964.db2.gz LNFVKWDSYRMBFS-DLBZAZTESA-N 1 1 329.488 3.578 20 30 EHEDMO N#Cc1ccc(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)o1 ZINC000449548258 1032769220 /nfs/dbraw/zinc/76/92/20/1032769220.db2.gz LZENHUUGSAKJRM-AWEZNQCLSA-N 1 1 335.176 3.830 20 30 EHEDMO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000610391594 1018710726 /nfs/dbraw/zinc/71/07/26/1018710726.db2.gz HUPNUWIZOSFINE-CQSZACIVSA-N 1 1 337.398 3.645 20 30 EHEDMO Cc1cc(C)cc(OCC[N@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000058580559 1018742831 /nfs/dbraw/zinc/74/28/31/1018742831.db2.gz IIOOZKXNXKZVPN-UHFFFAOYSA-N 1 1 349.478 3.766 20 30 EHEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC001167373281 1018903694 /nfs/dbraw/zinc/90/36/94/1018903694.db2.gz VHSTZHWGFARXOW-FPOVZHCZSA-N 1 1 338.451 3.627 20 30 EHEDMO Cc1cc(C#N)ccc1CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000614401050 1018975618 /nfs/dbraw/zinc/97/56/18/1018975618.db2.gz YVHLETWPBPYKED-AZUAARDMSA-N 1 1 325.500 3.953 20 30 EHEDMO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCc1ccccc1O ZINC000544192889 1019382165 /nfs/dbraw/zinc/38/21/65/1019382165.db2.gz YOOVDVRBNKTSKI-UHFFFAOYSA-N 1 1 333.353 3.937 20 30 EHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cnn(Cc2ccccc2)c1 ZINC000151156905 1019383359 /nfs/dbraw/zinc/38/33/59/1019383359.db2.gz CBWSDKCILGHMKM-HNNXBMFYSA-N 1 1 334.398 3.793 20 30 EHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)cc1 ZINC000528794753 1032833280 /nfs/dbraw/zinc/83/32/80/1032833280.db2.gz QWTQQPOTWUSJQF-SFHVURJKSA-N 1 1 346.352 3.669 20 30 EHEDMO Cc1ccc(C[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000182743206 1019741161 /nfs/dbraw/zinc/74/11/61/1019741161.db2.gz PAAIGSTUOYYXMF-GOSISDBHSA-N 1 1 339.464 3.556 20 30 EHEDMO N#Cc1ccc(C2CC[NH+](Cc3cc(C#N)cnc3Cl)CC2)cc1 ZINC000897588708 1032856089 /nfs/dbraw/zinc/85/60/89/1032856089.db2.gz LKCHUOUCODAQKP-UHFFFAOYSA-N 1 1 336.826 3.858 20 30 EHEDMO C[N@@H+](Cc1ccc2nc(NC(=O)C3(C#N)CCC3)sc2c1)C1CC1 ZINC000598031037 1032862760 /nfs/dbraw/zinc/86/27/60/1032862760.db2.gz WJLVHVOKITYAMM-UHFFFAOYSA-N 1 1 340.452 3.523 20 30 EHEDMO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1Cl)C(=O)NC1(C#N)CCC1 ZINC000345122873 1019978820 /nfs/dbraw/zinc/97/88/20/1019978820.db2.gz APDZMSGZENBKHH-QWRGUYRKSA-N 1 1 340.254 3.595 20 30 EHEDMO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C#N)cc1F)CCCO2 ZINC000177856432 1020244890 /nfs/dbraw/zinc/24/48/90/1020244890.db2.gz MEUMUTJKWFJIIS-GOSISDBHSA-N 1 1 326.371 3.709 20 30 EHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc(C#N)c1 ZINC000610475825 1020407935 /nfs/dbraw/zinc/40/79/35/1020407935.db2.gz YVKPGIHUDVPWLN-QGZVFWFLSA-N 1 1 348.450 3.687 20 30 EHEDMO N#Cc1ccncc1N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000612101625 1032905445 /nfs/dbraw/zinc/90/54/45/1032905445.db2.gz CEWPVMUKAXAVAR-SLFFLAALSA-N 1 1 332.451 3.666 20 30 EHEDMO N#Cc1ccncc1N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000612101622 1032906306 /nfs/dbraw/zinc/90/63/06/1032906306.db2.gz CEWPVMUKAXAVAR-HSALFYBXSA-N 1 1 332.451 3.666 20 30 EHEDMO C=CCCO[C@H](C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000345880521 1020569485 /nfs/dbraw/zinc/56/94/85/1020569485.db2.gz PZURVJCJTNWSHE-QZTJIDSGSA-N 1 1 344.499 3.516 20 30 EHEDMO CC(C)c1ccc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)cc1[N+](=O)[O-] ZINC000897602126 1032931265 /nfs/dbraw/zinc/93/12/65/1032931265.db2.gz GGHCGRLIDBGDHX-UHFFFAOYSA-N 1 1 344.411 3.556 20 30 EHEDMO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H](C)CCC#N ZINC000276293541 1020992411 /nfs/dbraw/zinc/99/24/11/1020992411.db2.gz IIOMDRUOYIKOIO-LLVKDONJSA-N 1 1 328.243 3.946 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H](C)CCC#N ZINC000276293541 1020992415 /nfs/dbraw/zinc/99/24/15/1020992415.db2.gz IIOMDRUOYIKOIO-LLVKDONJSA-N 1 1 328.243 3.946 20 30 EHEDMO C=CCSCC[NH2+]Cc1csc(N(C(C)=O)c2ccccc2)n1 ZINC000602546689 1032956330 /nfs/dbraw/zinc/95/63/30/1032956330.db2.gz WSLBDSSOTORKBD-UHFFFAOYSA-N 1 1 347.509 3.837 20 30 EHEDMO CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000439253031 1021297613 /nfs/dbraw/zinc/29/76/13/1021297613.db2.gz AMBMDCGTYNWPSI-FQEVSTJZSA-N 1 1 326.415 3.861 20 30 EHEDMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000439253031 1021297624 /nfs/dbraw/zinc/29/76/24/1021297624.db2.gz AMBMDCGTYNWPSI-FQEVSTJZSA-N 1 1 326.415 3.861 20 30 EHEDMO CCN1CCC[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000507580540 1021370598 /nfs/dbraw/zinc/37/05/98/1021370598.db2.gz OWSHFNNOWKLWMG-KMFTYDHNSA-N 1 1 325.500 3.712 20 30 EHEDMO C=C(C)[C@@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000505900398 1021391701 /nfs/dbraw/zinc/39/17/01/1021391701.db2.gz FLSKLRSWOSLVME-HNAYVOBHSA-N 1 1 336.426 3.963 20 30 EHEDMO N#CC1(c2ccccc2)CCC([NH2+]CCCN2CCCCC2)CC1 ZINC000507633854 1021411945 /nfs/dbraw/zinc/41/19/45/1021411945.db2.gz FSOBUARLCKKOTP-UHFFFAOYSA-N 1 1 325.500 3.856 20 30 EHEDMO CC[C@H]1CCCCN1C(=O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000507715430 1021467081 /nfs/dbraw/zinc/46/70/81/1021467081.db2.gz DLBZGBMQCHBJHU-LPHOPBHVSA-N 1 1 327.472 3.732 20 30 EHEDMO C[N@@H+](CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)CC(C)(C)C#N ZINC000894857732 1021473567 /nfs/dbraw/zinc/47/35/67/1021473567.db2.gz NXCQWZSITFBDAC-MQVJKMGUSA-N 1 1 335.492 3.646 20 30 EHEDMO CCCC[C@@H](CC)C[N@H+]1CCC12CN(C(=O)c1ccccc1C#N)C2 ZINC001270803167 1021541508 /nfs/dbraw/zinc/54/15/08/1021541508.db2.gz HYXIRKXXKYGVBX-QGZVFWFLSA-N 1 1 339.483 3.675 20 30 EHEDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000337472236 1021598267 /nfs/dbraw/zinc/59/82/67/1021598267.db2.gz WRXAMJOKUZQBGN-IRXDYDNUSA-N 1 1 335.451 3.771 20 30 EHEDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000337472236 1021598276 /nfs/dbraw/zinc/59/82/76/1021598276.db2.gz WRXAMJOKUZQBGN-IRXDYDNUSA-N 1 1 335.451 3.771 20 30 EHEDMO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624611145 1021602574 /nfs/dbraw/zinc/60/25/74/1021602574.db2.gz JQTCAZFRHDMTLZ-LJQANCHMSA-N 1 1 329.488 3.506 20 30 EHEDMO COc1ccc(C[N@H+]2CCC[C@H](OC(C)C)C2)cc1OCCCC#N ZINC000593661979 1033000870 /nfs/dbraw/zinc/00/08/70/1033000870.db2.gz ZSSLOIBIIYYXHB-SFHVURJKSA-N 1 1 346.471 3.767 20 30 EHEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000581760263 1021704388 /nfs/dbraw/zinc/70/43/88/1021704388.db2.gz ARFHVPXRYPYQBZ-QGZVFWFLSA-N 1 1 337.398 3.938 20 30 EHEDMO N#CC1(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CCCC1 ZINC000593653727 1032998365 /nfs/dbraw/zinc/99/83/65/1032998365.db2.gz VWHFTHPDMLQXAE-UHFFFAOYSA-N 1 1 330.325 3.940 20 30 EHEDMO C=CCOc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000519884518 1021746909 /nfs/dbraw/zinc/74/69/09/1021746909.db2.gz DBZRMBWCRRQJNP-FQEVSTJZSA-N 1 1 336.435 3.855 20 30 EHEDMO CC(C)[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000140504332 1021843868 /nfs/dbraw/zinc/84/38/68/1021843868.db2.gz MEFCJCUHZCUOHQ-OAHLLOKOSA-N 1 1 331.485 3.557 20 30 EHEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1cccc(OCCCC#N)c1 ZINC000897626216 1033012535 /nfs/dbraw/zinc/01/25/35/1033012535.db2.gz VONWNTAMZVLEOC-UHFFFAOYSA-N 1 1 325.437 3.934 20 30 EHEDMO CC(C)C1CCC([NH+]2CCN(C(=O)c3cc(C#N)cs3)CC2)CC1 ZINC000439995439 1021886447 /nfs/dbraw/zinc/88/64/47/1021886447.db2.gz LVUGTXAHUURTIP-UHFFFAOYSA-N 1 1 345.512 3.592 20 30 EHEDMO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000516955949 1021892420 /nfs/dbraw/zinc/89/24/20/1021892420.db2.gz SVLGBHKXLXYJRH-MOPGFXCFSA-N 1 1 339.483 3.597 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)C2(C)CC2)c1 ZINC000437510481 1021902158 /nfs/dbraw/zinc/90/21/58/1021902158.db2.gz AQPCFPUHTQIFHP-KRWDZBQOSA-N 1 1 327.472 3.671 20 30 EHEDMO CCCCCCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@H]21 ZINC001270238042 1021979074 /nfs/dbraw/zinc/97/90/74/1021979074.db2.gz KDVFGCSLFHDVIU-RBUKOAKNSA-N 1 1 346.519 3.583 20 30 EHEDMO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000520168780 1021994548 /nfs/dbraw/zinc/99/45/48/1021994548.db2.gz WEVBWMTWBPGJDO-AWEZNQCLSA-N 1 1 341.842 3.521 20 30 EHEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000520168780 1021994557 /nfs/dbraw/zinc/99/45/57/1021994557.db2.gz WEVBWMTWBPGJDO-AWEZNQCLSA-N 1 1 341.842 3.521 20 30 EHEDMO N#Cc1ccc(N2CCC[N@@H+](CCCc3ccccc3)CC2)c(F)c1 ZINC000506784846 1022003440 /nfs/dbraw/zinc/00/34/40/1022003440.db2.gz UOIVZQMWJGUVLM-UHFFFAOYSA-N 1 1 337.442 3.842 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(-n2ccnn2)cc1 ZINC000187445317 1022134407 /nfs/dbraw/zinc/13/44/07/1022134407.db2.gz QMHNJTJXEWMWRD-CYBMUJFWSA-N 1 1 337.814 3.643 20 30 EHEDMO N#CCCCOc1cccc(C[NH2+][C@H]2COc3ccc(F)cc32)c1 ZINC000341564480 1022335876 /nfs/dbraw/zinc/33/58/76/1022335876.db2.gz WJILOWYVJFMNDS-SFHVURJKSA-N 1 1 326.371 3.732 20 30 EHEDMO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000550077306 1022350938 /nfs/dbraw/zinc/35/09/38/1022350938.db2.gz GDEUMKBETVJFQA-KRWDZBQOSA-N 1 1 329.488 3.662 20 30 EHEDMO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000438059022 1022357339 /nfs/dbraw/zinc/35/73/39/1022357339.db2.gz MZFCEMUGZFDZCC-SFHVURJKSA-N 1 1 339.385 3.911 20 30 EHEDMO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000438059022 1022357358 /nfs/dbraw/zinc/35/73/58/1022357358.db2.gz MZFCEMUGZFDZCC-SFHVURJKSA-N 1 1 339.385 3.911 20 30 EHEDMO CC[C@H](C)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000110791631 1022370502 /nfs/dbraw/zinc/37/05/02/1022370502.db2.gz DCZJZIABXYUCEV-ZDUSSCGKSA-N 1 1 333.501 3.948 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N[C@@H](C)c1cccs1 ZINC000521068938 1022436214 /nfs/dbraw/zinc/43/62/14/1022436214.db2.gz RNAHLWJFQOINHH-INIZCTEOSA-N 1 1 328.481 3.656 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N[C@@H](C)c1cccs1 ZINC000521068938 1022436217 /nfs/dbraw/zinc/43/62/17/1022436217.db2.gz RNAHLWJFQOINHH-INIZCTEOSA-N 1 1 328.481 3.656 20 30 EHEDMO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1F ZINC000328647840 1022454494 /nfs/dbraw/zinc/45/44/94/1022454494.db2.gz AEHBGEQVKYYXSK-PBHICJAKSA-N 1 1 330.407 3.502 20 30 EHEDMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1F ZINC000328647840 1022454501 /nfs/dbraw/zinc/45/45/01/1022454501.db2.gz AEHBGEQVKYYXSK-PBHICJAKSA-N 1 1 330.407 3.502 20 30 EHEDMO C#CCCCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000120186948 1022464691 /nfs/dbraw/zinc/46/46/91/1022464691.db2.gz MCJTZWAMYQARKJ-UYAOXDASSA-N 1 1 326.484 3.692 20 30 EHEDMO C[C@]1(CNC(=O)[C@@]2(C)CCC(=O)NC2)CCC[N@H+]1Cc1ccccc1 ZINC000328775848 1022485937 /nfs/dbraw/zinc/48/59/37/1022485937.db2.gz IATIXEJVIXBJJZ-VQTJNVASSA-N 1 1 343.471 3.754 20 30 EHEDMO Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000328793921 1022504540 /nfs/dbraw/zinc/50/45/40/1022504540.db2.gz BEYLSARLPGQXMJ-CZUORRHYSA-N 1 1 338.455 3.623 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000328797151 1022505002 /nfs/dbraw/zinc/50/50/02/1022505002.db2.gz VNJUEFIXECVRFH-CYBMUJFWSA-N 1 1 330.432 3.746 20 30 EHEDMO COCCCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1OC ZINC000120702959 1022551119 /nfs/dbraw/zinc/55/11/19/1022551119.db2.gz JRBLHQWABUTISH-UHFFFAOYSA-N 1 1 338.451 3.996 20 30 EHEDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)C[C@@H](C)C#N)c1 ZINC000473736296 1022634047 /nfs/dbraw/zinc/63/40/47/1022634047.db2.gz UZVOUBSBXNUDFN-KRWDZBQOSA-N 1 1 344.503 3.610 20 30 EHEDMO COc1ccccc1C[C@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000476235127 1033069962 /nfs/dbraw/zinc/06/99/62/1033069962.db2.gz SLTPERZDELISBY-LJQANCHMSA-N 1 1 336.435 3.653 20 30 EHEDMO CC(C)CC(=O)Nc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000330906817 1022707033 /nfs/dbraw/zinc/70/70/33/1022707033.db2.gz SJOIONWBELLTJL-DZGCQCFKSA-N 1 1 349.450 3.598 20 30 EHEDMO CCc1c(C(=O)NCC[N@H+]2CCCC(C)(C)C2)cnn1C(C)(C)C ZINC000330964083 1022716755 /nfs/dbraw/zinc/71/67/55/1022716755.db2.gz KQJVCPHHCXLRJV-UHFFFAOYSA-N 1 1 334.508 3.627 20 30 EHEDMO COC[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccccc1 ZINC000341637972 1022736814 /nfs/dbraw/zinc/73/68/14/1022736814.db2.gz KMWJWSVGRYKLBO-INIZCTEOSA-N 1 1 332.350 3.637 20 30 EHEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCO[C@H]4CCC[C@H]43)c2)c1 ZINC000430875307 1022816354 /nfs/dbraw/zinc/81/63/54/1022816354.db2.gz NKLNZHUBBWEYIH-YADHBBJMSA-N 1 1 348.446 3.891 20 30 EHEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCO[C@H]4CCC[C@H]43)c2)c1 ZINC000430875307 1022816370 /nfs/dbraw/zinc/81/63/70/1022816370.db2.gz NKLNZHUBBWEYIH-YADHBBJMSA-N 1 1 348.446 3.891 20 30 EHEDMO COC(=O)c1ccc(C[N@H+](C)Cc2cc(C#N)cs2)cc1Cl ZINC000933772980 1022969492 /nfs/dbraw/zinc/96/94/92/1022969492.db2.gz ZCJSFUIKYLOLBX-UHFFFAOYSA-N 1 1 334.828 3.692 20 30 EHEDMO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1Cl ZINC000933772980 1022969498 /nfs/dbraw/zinc/96/94/98/1022969498.db2.gz ZCJSFUIKYLOLBX-UHFFFAOYSA-N 1 1 334.828 3.692 20 30 EHEDMO C=CC(C)(C)CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000458992852 1023039337 /nfs/dbraw/zinc/03/93/37/1023039337.db2.gz WRQDGOADDBNORO-IEBWSBKVSA-N 1 1 343.515 3.893 20 30 EHEDMO CC(C)C1(C)CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000426785518 1023043785 /nfs/dbraw/zinc/04/37/85/1023043785.db2.gz XVPODQDJWPYXLP-UHFFFAOYSA-N 1 1 333.863 3.908 20 30 EHEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H](C)c1cccc(O)c1 ZINC000178373318 1023129688 /nfs/dbraw/zinc/12/96/88/1023129688.db2.gz MWOPLMQOYDPFLP-CYBMUJFWSA-N 1 1 343.452 3.737 20 30 EHEDMO CC(C)(C)OC(=O)C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000427005861 1023153156 /nfs/dbraw/zinc/15/31/56/1023153156.db2.gz ALTPCUCKCSIYEQ-UHFFFAOYSA-N 1 1 333.859 3.745 20 30 EHEDMO N#Cc1cnc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(F)c1 ZINC000581989815 1023429201 /nfs/dbraw/zinc/42/92/01/1023429201.db2.gz RXOHVNMZYDJRME-AYHJJNSGSA-N 1 1 336.414 3.700 20 30 EHEDMO CCCN(C(=O)CCCCC#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000593971765 1033134011 /nfs/dbraw/zinc/13/40/11/1033134011.db2.gz FUYQDLWMMQDLTN-FQEVSTJZSA-N 1 1 341.499 3.974 20 30 EHEDMO C=CCOc1cccc(C[N@H+](C)C2CCN(CC(F)(F)F)CC2)c1 ZINC000449759858 1033153169 /nfs/dbraw/zinc/15/31/69/1033153169.db2.gz KZQXWXPNKBRDDX-UHFFFAOYSA-N 1 1 342.405 3.710 20 30 EHEDMO N#Cc1c(C[N@H+](Cc2ccccc2)CC2(CO)CC2)cn2ccccc12 ZINC000341965421 1023723970 /nfs/dbraw/zinc/72/39/70/1023723970.db2.gz JRSOEYHTLMTCDA-UHFFFAOYSA-N 1 1 345.446 3.586 20 30 EHEDMO N#Cc1c(C[N@@H+](Cc2ccccc2)CC2(CO)CC2)cn2ccccc12 ZINC000341965421 1023723977 /nfs/dbraw/zinc/72/39/77/1023723977.db2.gz JRSOEYHTLMTCDA-UHFFFAOYSA-N 1 1 345.446 3.586 20 30 EHEDMO CN(CCC#N)c1ccc(CNc2cc[nH+]cc2Br)cc1 ZINC000277091816 1023768202 /nfs/dbraw/zinc/76/82/02/1023768202.db2.gz UIVDDUHEWAWALS-UHFFFAOYSA-N 1 1 345.244 3.806 20 30 EHEDMO C=C(C)C[N@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000181263068 1023872821 /nfs/dbraw/zinc/87/28/21/1023872821.db2.gz QWAHQBUPPCBZQC-SFHVURJKSA-N 1 1 332.444 3.601 20 30 EHEDMO N#Cc1cc(C[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc34)CC2)ccn1 ZINC000610993107 1023999659 /nfs/dbraw/zinc/99/96/59/1023999659.db2.gz CRFGQRMKFMMCGR-UHFFFAOYSA-N 1 1 332.382 3.863 20 30 EHEDMO C=CC[N@@H+](Cc1ccc(-n2cccn2)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063287179 1033179159 /nfs/dbraw/zinc/17/91/59/1033179159.db2.gz DFETVFWOUYPWEL-UHFFFAOYSA-N 1 1 348.406 3.969 20 30 EHEDMO C[C@@H]1CN(C(=O)CCCCC#N)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000594061050 1033185417 /nfs/dbraw/zinc/18/54/17/1033185417.db2.gz AQVXRANMNQXAPP-FGTMMUONSA-N 1 1 327.472 3.580 20 30 EHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000614600635 1024170631 /nfs/dbraw/zinc/17/06/31/1024170631.db2.gz APLYOCQDACRGPM-BFYDXBDKSA-N 1 1 343.496 3.894 20 30 EHEDMO C[C@H]([N@@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1)C(C)(C)C ZINC000346034024 1024204750 /nfs/dbraw/zinc/20/47/50/1024204750.db2.gz RHHVVBXSRQYNPL-KRWDZBQOSA-N 1 1 329.488 3.685 20 30 EHEDMO C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(Oc2ccccn2)CC1 ZINC000329893467 1024239032 /nfs/dbraw/zinc/23/90/32/1024239032.db2.gz ARRYUIBSBIHFLA-AQFXKWCLSA-N 1 1 345.487 3.849 20 30 EHEDMO CC(C)CC1(CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC000329898754 1024239999 /nfs/dbraw/zinc/23/99/99/1024239999.db2.gz FBHJVUDGWUMHRU-INIZCTEOSA-N 1 1 332.492 3.556 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@](C)(C[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000895314343 1024276024 /nfs/dbraw/zinc/27/60/24/1024276024.db2.gz SVBQYDZQKPINDA-QFBILLFUSA-N 1 1 335.492 3.649 20 30 EHEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000330004486 1024283067 /nfs/dbraw/zinc/28/30/67/1024283067.db2.gz CPZXBXMZNBLXRE-CJNGLKHVSA-N 1 1 343.475 3.744 20 30 EHEDMO C[C@H]1C[N@@H+](CC2(CC#N)CC2)C2(CCCC2)CN1CC1(CC#N)CC1 ZINC000602837738 1033199542 /nfs/dbraw/zinc/19/95/42/1033199542.db2.gz ZOUHQSOPLRZWOR-SFHVURJKSA-N 1 1 340.515 3.693 20 30 EHEDMO C[C@H]1CN(CC2(CC#N)CC2)C2(CCCC2)C[N@@H+]1CC1(CC#N)CC1 ZINC000602837738 1033199550 /nfs/dbraw/zinc/19/95/50/1033199550.db2.gz ZOUHQSOPLRZWOR-SFHVURJKSA-N 1 1 340.515 3.693 20 30 EHEDMO C[C@H]1CN(CC2(CC#N)CC2)C2(CCCC2)C[N@H+]1CC1(CC#N)CC1 ZINC000602837738 1033199562 /nfs/dbraw/zinc/19/95/62/1033199562.db2.gz ZOUHQSOPLRZWOR-SFHVURJKSA-N 1 1 340.515 3.693 20 30 EHEDMO Cc1cccnc1OC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000330238047 1024366512 /nfs/dbraw/zinc/36/65/12/1024366512.db2.gz AUDOUXPPWNVOKS-CRAIPNDOSA-N 1 1 345.487 3.768 20 30 EHEDMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000330241935 1024368995 /nfs/dbraw/zinc/36/89/95/1024368995.db2.gz JFEAKYPOPXPEJM-NVXWUHKLSA-N 1 1 346.471 3.729 20 30 EHEDMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000330241935 1024369012 /nfs/dbraw/zinc/36/90/12/1024369012.db2.gz JFEAKYPOPXPEJM-NVXWUHKLSA-N 1 1 346.471 3.729 20 30 EHEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000434739483 1024390899 /nfs/dbraw/zinc/39/08/99/1024390899.db2.gz WCOYMNXECQIQCO-LJQANCHMSA-N 1 1 337.398 3.863 20 30 EHEDMO C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)Cc1cccc(C#N)c1 ZINC000026329415 1033208941 /nfs/dbraw/zinc/20/89/41/1033208941.db2.gz QLTGDCLAZGXXKF-NRFANRHFSA-N 1 1 347.462 3.574 20 30 EHEDMO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000280953345 1024482967 /nfs/dbraw/zinc/48/29/67/1024482967.db2.gz XSSVNNGNAGAEPE-BDHVOXNPSA-N 1 1 340.511 3.753 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncc3c(c2C#N)CCC3)C1 ZINC000425234067 1024484726 /nfs/dbraw/zinc/48/47/26/1024484726.db2.gz WPTVVEZQPBCAPO-DLBZAZTESA-N 1 1 338.499 3.533 20 30 EHEDMO COCC[N@@H+](C)CC[C@H](Nc1cccc(F)c1C#N)c1ccccc1 ZINC000505577224 1024523442 /nfs/dbraw/zinc/52/34/42/1024523442.db2.gz SCNYOEXHJYAMCI-IBGZPJMESA-N 1 1 341.430 3.819 20 30 EHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000435049751 1024579678 /nfs/dbraw/zinc/57/96/78/1024579678.db2.gz 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CCC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000342285794 1024728862 /nfs/dbraw/zinc/72/88/62/1024728862.db2.gz MVIOUZNOJHCGRW-GOSISDBHSA-N 1 1 343.377 3.906 20 30 EHEDMO N#CCc1ccc(C[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)cc1 ZINC000602880517 1033231779 /nfs/dbraw/zinc/23/17/79/1033231779.db2.gz AGIRKYNRDUNRQX-LJQANCHMSA-N 1 1 328.419 3.685 20 30 EHEDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccccc1 ZINC000281221564 1024760793 /nfs/dbraw/zinc/76/07/93/1024760793.db2.gz OJICSPWRPFSMNV-VQTJNVASSA-N 1 1 347.462 3.663 20 30 EHEDMO C=CCOc1ccc(C[N@H+](C)Cc2cccc(OC)c2)cc1OC ZINC000505665395 1024801318 /nfs/dbraw/zinc/80/13/18/1024801318.db2.gz UOIPGOYDSKSRRP-UHFFFAOYSA-N 1 1 327.424 3.901 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000346537223 1024844509 /nfs/dbraw/zinc/84/45/09/1024844509.db2.gz CFEDSPGWRMPPTL-INIZCTEOSA-N 1 1 328.481 3.783 20 30 EHEDMO Cc1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)ccc1-n1cncn1 ZINC000425366973 1024879839 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KSWNMADLMUCMQI-KRWDZBQOSA-N 1 1 341.499 3.505 20 30 EHEDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000342764781 1026982445 /nfs/dbraw/zinc/98/24/45/1026982445.db2.gz JNEQEOBSBOIELL-INIZCTEOSA-N 1 1 331.423 3.526 20 30 EHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000054272570 1027042095 /nfs/dbraw/zinc/04/20/95/1027042095.db2.gz PCHHPXGKGHPDDM-IBGZPJMESA-N 1 1 333.378 3.695 20 30 EHEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H](C)Cc1ccsc1 ZINC000187788213 1027084234 /nfs/dbraw/zinc/08/42/34/1027084234.db2.gz YVTCVKLUYLPKHU-AWEZNQCLSA-N 1 1 327.453 3.511 20 30 EHEDMO C=CCOc1cccc(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)c1 ZINC000126335295 1027191859 /nfs/dbraw/zinc/19/18/59/1027191859.db2.gz RLOSSHZZPNXHKI-SFHVURJKSA-N 1 1 337.467 3.525 20 30 EHEDMO C=CCOc1cccc(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000126335295 1027191869 /nfs/dbraw/zinc/19/18/69/1027191869.db2.gz RLOSSHZZPNXHKI-SFHVURJKSA-N 1 1 337.467 3.525 20 30 EHEDMO 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EHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccc(F)cc1 ZINC000555377740 1040502392 /nfs/dbraw/zinc/50/23/92/1040502392.db2.gz ULPYOQGDQPJCPJ-HBMCJLEFSA-N 1 1 338.426 3.501 20 30 EHEDMO C=CCc1cc(CNC[C@@H](C2CCCCC2)[NH+](C)C)cc(OC)c1O ZINC000500130630 1040571084 /nfs/dbraw/zinc/57/10/84/1040571084.db2.gz KRELMVBXVYERGN-IBGZPJMESA-N 1 1 346.515 3.729 20 30 EHEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ncc(Br)s1 ZINC000418144247 1040643199 /nfs/dbraw/zinc/64/31/99/1040643199.db2.gz KFWBOIMXFLOYSN-CYBMUJFWSA-N 1 1 348.269 3.944 20 30 EHEDMO CCc1ccc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)cc1 ZINC000433076081 1040654476 /nfs/dbraw/zinc/65/44/76/1040654476.db2.gz MLTVEDMMPXDERI-JXFKEZNVSA-N 1 1 347.462 3.937 20 30 EHEDMO Cc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)ncc1Br ZINC000600109903 1040655432 /nfs/dbraw/zinc/65/54/32/1040655432.db2.gz RMVMRMSTOWHIGO-UHFFFAOYSA-N 1 1 330.229 3.656 20 30 EHEDMO Cc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)ncc1Br ZINC000600109903 1040655442 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20 30 EHEDMO C#CCNC(=O)C1CC[NH+]([C@@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000491067874 1040899878 /nfs/dbraw/zinc/89/98/78/1040899878.db2.gz KRQQNOANQJWFIZ-LBPRGKRZSA-N 1 1 339.266 3.516 20 30 EHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000053580509 1040907967 /nfs/dbraw/zinc/90/79/67/1040907967.db2.gz PDIIVAWWLDEREO-YOEHRIQHSA-N 1 1 336.395 3.714 20 30 EHEDMO C=CCOc1ccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1OC ZINC000668782569 1040962921 /nfs/dbraw/zinc/96/29/21/1040962921.db2.gz DWIWOLICZYFYRQ-OYRHEFFESA-N 1 1 343.467 3.653 20 30 EHEDMO Cc1cc(C#N)ccc1CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000586780271 1041015957 /nfs/dbraw/zinc/01/59/57/1041015957.db2.gz MRXIBBRCVCBQMU-QHCPKHFHSA-N 1 1 345.490 3.965 20 30 EHEDMO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NCc1cccc(OCCCC#N)c1 ZINC000261721426 1041082219 /nfs/dbraw/zinc/08/22/19/1041082219.db2.gz WWYANSKKGGANOZ-ROUUACIJSA-N 1 1 329.488 3.579 20 30 EHEDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NCc1cccc(OCCCC#N)c1 ZINC000261721426 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331.423 3.574 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000660450511 1041425620 /nfs/dbraw/zinc/42/56/20/1041425620.db2.gz SGJLGANYRYJSFH-OJAHFUOMSA-N 1 1 339.483 3.715 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CC1CCC1 ZINC000111296379 1041552140 /nfs/dbraw/zinc/55/21/40/1041552140.db2.gz VQXMJHKGLZTFBI-CQSZACIVSA-N 1 1 331.485 3.609 20 30 EHEDMO Fc1ccc(C#CC[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1 ZINC000511759057 1041567638 /nfs/dbraw/zinc/56/76/38/1041567638.db2.gz SPDMNUQMWMMHIR-YPAWHYETSA-N 1 1 335.422 3.682 20 30 EHEDMO Cc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)ccc1C#N ZINC000511779987 1041604681 /nfs/dbraw/zinc/60/46/81/1041604681.db2.gz WSRIXZSHMXFBEB-BHIFYINESA-N 1 1 332.447 3.871 20 30 EHEDMO N#Cc1cnccc1C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000827984205 1042007111 /nfs/dbraw/zinc/00/71/11/1042007111.db2.gz DJGCFFGNJWNOAS-LEWJYISDSA-N 1 1 335.451 3.822 20 30 EHEDMO C#Cc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)nc1 ZINC000728816140 1042012411 /nfs/dbraw/zinc/01/24/11/1042012411.db2.gz VJRDYSHJLHZTJO-INIZCTEOSA-N 1 1 333.435 3.690 20 30 EHEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2OC(F)F)C1 ZINC000661378650 1042092603 /nfs/dbraw/zinc/09/26/03/1042092603.db2.gz JWYQBAMZZFILQA-KBPBESRZSA-N 1 1 338.398 3.903 20 30 EHEDMO CC[N@@H+](C[C@H](O)c1ccc(F)cc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000125751352 1042631387 /nfs/dbraw/zinc/63/13/87/1042631387.db2.gz LWVKHUUTIDXIEK-DJJJIMSYSA-N 1 1 330.378 3.953 20 30 EHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000186770152 1042705767 /nfs/dbraw/zinc/70/57/67/1042705767.db2.gz YPMKDSRVDNKTEH-MEDUHNTESA-N 1 1 342.270 3.698 20 30 EHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000330265471 1042741197 /nfs/dbraw/zinc/74/11/97/1042741197.db2.gz ZHOHVIYPOHUSRT-VNHYZAJKSA-N 1 1 325.403 3.535 20 30 EHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F 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20 30 EHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(Cl)cc1C#N ZINC000344117871 1043284834 /nfs/dbraw/zinc/28/48/34/1043284834.db2.gz QJIUOBBJWWUPKF-UHFFFAOYSA-N 1 1 339.826 3.732 20 30 EHEDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000324857268 1043335249 /nfs/dbraw/zinc/33/52/49/1043335249.db2.gz GSMLCTZEJOPFDI-KDOFPFPSSA-N 1 1 344.842 3.644 20 30 EHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000512152273 1043488621 /nfs/dbraw/zinc/48/86/21/1043488621.db2.gz LXQQOXVYCYJBEG-IMFGXOCKSA-N 1 1 327.472 3.514 20 30 EHEDMO C=CC[C@@H](CC)NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000344305722 1043639677 /nfs/dbraw/zinc/63/96/77/1043639677.db2.gz PIJDMLMBBHDBDU-WMLDXEAASA-N 1 1 326.444 3.896 20 30 EHEDMO Cn1cc(C[N@H+](C)Cc2cc(C#N)ccc2F)c(-c2cccs2)n1 ZINC000342689536 1043902477 /nfs/dbraw/zinc/90/24/77/1043902477.db2.gz IXMOYNQEESGVML-UHFFFAOYSA-N 1 1 340.427 3.791 20 30 EHEDMO Cn1cc(C[N@@H+](C)Cc2cc(C#N)ccc2F)c(-c2cccs2)n1 ZINC000342689536 1043902484 /nfs/dbraw/zinc/90/24/84/1043902484.db2.gz IXMOYNQEESGVML-UHFFFAOYSA-N 1 1 340.427 3.791 20 30 EHEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccc(C#N)s3)c2C1 ZINC000344535557 1044105432 /nfs/dbraw/zinc/10/54/32/1044105432.db2.gz QYZLHFHZLJVYDU-UHFFFAOYSA-N 1 1 325.437 3.844 20 30 EHEDMO CC[C@]1(C)CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279487064 1044136963 /nfs/dbraw/zinc/13/69/63/1044136963.db2.gz XNDHFZYKHXQBJH-HXUWFJFHSA-N 1 1 337.471 3.871 20 30 EHEDMO Cc1c(C#N)cccc1NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183532461 1125593401 /nfs/dbraw/zinc/59/34/01/1125593401.db2.gz DGNRFIGCBOLRCN-DOTOQJQBSA-N 1 1 340.471 3.641 20 30 EHEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(SCC#N)c1 ZINC000154134716 1125696056 /nfs/dbraw/zinc/69/60/56/1125696056.db2.gz BYUHZWNONZYWIM-QGZVFWFLSA-N 1 1 345.512 3.543 20 30 EHEDMO C=CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000620786307 1125727215 /nfs/dbraw/zinc/72/72/15/1125727215.db2.gz YRRHDWIQBOVLMX-SFTDATJTSA-N 1 1 334.463 3.737 20 30 EHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000622840980 1126795750 /nfs/dbraw/zinc/79/57/50/1126795750.db2.gz ACJNTGMSSCASMT-CTNGQTDRSA-N 1 1 344.499 3.511 20 30 EHEDMO C=CCN(C(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)C(C)(C)C ZINC000622943615 1126833799 /nfs/dbraw/zinc/83/37/99/1126833799.db2.gz KCFKBWVGVBSMEK-IRXDYDNUSA-N 1 1 344.499 3.723 20 30 EHEDMO CCSCC[C@H](C)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000072901350 1126916723 /nfs/dbraw/zinc/91/67/23/1126916723.db2.gz DXWPVVUYFRTLQQ-ZDUSSCGKSA-N 1 1 330.457 3.572 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC000072898009 1126916795 /nfs/dbraw/zinc/91/67/95/1126916795.db2.gz ZSQFSOUHHIGHFK-MOPGFXCFSA-N 1 1 334.419 3.730 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC000072898009 1126916797 /nfs/dbraw/zinc/91/67/97/1126916797.db2.gz ZSQFSOUHHIGHFK-MOPGFXCFSA-N 1 1 334.419 3.730 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2nc3ccccc3n2C)c1 ZINC000073011854 1126975168 /nfs/dbraw/zinc/97/51/68/1126975168.db2.gz ZCSRDBNNNZFXJA-MRXNPFEDSA-N 1 1 334.423 3.544 20 30 EHEDMO C#CC[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C1CC1 ZINC000764677013 1127521660 /nfs/dbraw/zinc/52/16/60/1127521660.db2.gz QCKDIJOUPFUZIZ-UHFFFAOYSA-N 1 1 328.419 3.532 20 30 EHEDMO C=CC[C@H](C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)c1ccccc1 ZINC001127837180 1127585670 /nfs/dbraw/zinc/58/56/70/1127585670.db2.gz QMPIYBBZOACZNC-QFIPXVFZSA-N 1 1 348.490 3.999 20 30 EHEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)cc1 ZINC000765637741 1127717823 /nfs/dbraw/zinc/71/78/23/1127717823.db2.gz GFHMXNPIJAHKCC-HNNXBMFYSA-N 1 1 331.419 3.801 20 30 EHEDMO Cc1ccccc1CN1CCC([NH2+]Cc2csc(C#N)c2)CC1 ZINC000921547849 1127723719 /nfs/dbraw/zinc/72/37/19/1127723719.db2.gz RXEXMFRTCMCXKQ-UHFFFAOYSA-N 1 1 325.481 3.682 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000624548605 1128391538 /nfs/dbraw/zinc/39/15/38/1128391538.db2.gz SVNHWYRWJDSZTM-KRWDZBQOSA-N 1 1 347.528 3.853 20 30 EHEDMO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](c3cccc(C)c3)C2)c(C#N)c1C ZINC000273072656 1128439335 /nfs/dbraw/zinc/43/93/35/1128439335.db2.gz JSEGFTRUFVQCEP-KRWDZBQOSA-N 1 1 337.423 3.505 20 30 EHEDMO Cc1oc(NC(=O)C[N@H+]2CC[C@H](c3cccc(C)c3)C2)c(C#N)c1C ZINC000273072656 1128439337 /nfs/dbraw/zinc/43/93/37/1128439337.db2.gz JSEGFTRUFVQCEP-KRWDZBQOSA-N 1 1 337.423 3.505 20 30 EHEDMO COc1ccc([C@H]2C[C@H]([N@H+]3CCc4ccc(C#N)cc4C3)CCO2)cc1 ZINC001168632585 1128502528 /nfs/dbraw/zinc/50/25/28/1128502528.db2.gz DLSQGNOVHPVUAW-IFMALSPDSA-N 1 1 348.446 3.845 20 30 EHEDMO N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000301106092 1128573454 /nfs/dbraw/zinc/57/34/54/1128573454.db2.gz WCUDPVSESSYXMN-KRWDZBQOSA-N 1 1 336.395 3.543 20 30 EHEDMO CCC[N@H+]1CC[C@H](CNc2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000301973495 1128613842 /nfs/dbraw/zinc/61/38/42/1128613842.db2.gz ASBGKOOKDZKMSR-CYBMUJFWSA-N 1 1 328.847 3.904 20 30 EHEDMO Cc1nnc(NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c(C#N)c1C ZINC000301126713 1128573993 /nfs/dbraw/zinc/57/39/93/1128573993.db2.gz WVOQDFBKAVNDAT-OAHLLOKOSA-N 1 1 349.482 3.809 20 30 EHEDMO CC(C)[N@H+]1CC[C@@H](Nc2ccc(C#N)cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000302047417 1128616687 /nfs/dbraw/zinc/61/66/87/1128616687.db2.gz VNZKKINNGPMILA-MJGOQNOKSA-N 1 1 342.393 3.867 20 30 EHEDMO COc1cccc([C@H](C)[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000301207680 1128578318 /nfs/dbraw/zinc/57/83/18/1128578318.db2.gz SGWGUCCMDMYIIB-HNNXBMFYSA-N 1 1 339.414 3.589 20 30 EHEDMO C[C@H](CCNc1ccc(Cl)c(C#N)n1)[N@@H+](C)Cc1ccccc1 ZINC000301475578 1128592776 /nfs/dbraw/zinc/59/27/76/1128592776.db2.gz NTEXIUINKFSBGI-CQSZACIVSA-N 1 1 328.847 3.929 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1snc(Cl)c1C#N ZINC000301504422 1128594156 /nfs/dbraw/zinc/59/41/56/1128594156.db2.gz CEGDDWKAHXNDQA-IUODEOHRSA-N 1 1 346.887 3.991 20 30 EHEDMO CC(=O)c1ccc(C#N)c(NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000302127232 1128621392 /nfs/dbraw/zinc/62/13/92/1128621392.db2.gz WWERTRBVMCUTNL-IYBDPMFKSA-N 1 1 327.472 3.931 20 30 EHEDMO N#Cc1ccc(NCCc2cn3c([nH+]2)CCCC3)c(Br)c1 ZINC000302644529 1128640176 /nfs/dbraw/zinc/64/01/76/1128640176.db2.gz IXHHXKJOKLIGEQ-UHFFFAOYSA-N 1 1 345.244 3.508 20 30 EHEDMO C[N@@H+]1CC[C@@H](Nc2ccc(F)cc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000302798210 1128648104 /nfs/dbraw/zinc/64/81/04/1128648104.db2.gz AYQHRTPJGOWSCW-MSOLQXFVSA-N 1 1 331.341 3.833 20 30 EHEDMO C[N@H+]1CC[C@@H](Nc2ccc(F)cc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000302798210 1128648106 /nfs/dbraw/zinc/64/81/06/1128648106.db2.gz AYQHRTPJGOWSCW-MSOLQXFVSA-N 1 1 331.341 3.833 20 30 EHEDMO C[C@@H]1CCN(c2c(C#N)cccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000302905866 1128654281 /nfs/dbraw/zinc/65/42/81/1128654281.db2.gz WFNATCKCRHNPPA-QGZVFWFLSA-N 1 1 330.435 3.531 20 30 EHEDMO CCOC(=O)C1CCC([N@@H+](CC)Cc2cc(C#N)ccc2F)CC1 ZINC000554861385 1128726787 /nfs/dbraw/zinc/72/67/87/1128726787.db2.gz WTPBYGZAKDEAGM-UHFFFAOYSA-N 1 1 332.419 3.641 20 30 EHEDMO CC1(C)CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000072828096 1128738668 /nfs/dbraw/zinc/73/86/68/1128738668.db2.gz SOLNTSZCJHREPU-UHFFFAOYSA-N 1 1 331.485 3.559 20 30 EHEDMO C[C@@H]1C[C@H](Nc2nc(Cl)c(C#N)s2)C[N@H+]1Cc1ccccc1 ZINC000306689366 1128801250 /nfs/dbraw/zinc/80/12/50/1128801250.db2.gz OAHIZYSHIYOEJF-YPMHNXCESA-N 1 1 332.860 3.743 20 30 EHEDMO CC(C)(C)OC1CC([NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)C1 ZINC000450867930 1128848098 /nfs/dbraw/zinc/84/80/98/1128848098.db2.gz YRFBHXWAXMRNSQ-UHFFFAOYSA-N 1 1 347.890 3.680 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc2ccccc2[nH]c1=O ZINC000111201916 1128850628 /nfs/dbraw/zinc/85/06/28/1128850628.db2.gz ZBOQJCOYENQZNK-UHFFFAOYSA-N 1 1 331.419 3.812 20 30 EHEDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2cn3ccccc3c2C#N)cc1 ZINC000109840907 1120127102 /nfs/dbraw/zinc/12/71/02/1120127102.db2.gz VWYSVTATKDCGQB-INIZCTEOSA-N 1 1 333.435 3.883 20 30 EHEDMO C#CC[N@@H+](Cc1cc(-c2cnn(C)c2C)no1)[C@@H]1CCc2ccccc21 ZINC000184469533 1120377549 /nfs/dbraw/zinc/37/75/49/1120377549.db2.gz ZNRSZPXXICGQPD-OAQYLSRUSA-N 1 1 346.434 3.506 20 30 EHEDMO C#CC[N@H+](Cc1cc(-c2cnn(C)c2C)no1)[C@@H]1CCc2ccccc21 ZINC000184469533 1120377555 /nfs/dbraw/zinc/37/75/55/1120377555.db2.gz ZNRSZPXXICGQPD-OAQYLSRUSA-N 1 1 346.434 3.506 20 30 EHEDMO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000185402207 1120412626 /nfs/dbraw/zinc/41/26/26/1120412626.db2.gz WSNDCZVFOYQKBV-IBGZPJMESA-N 1 1 328.500 3.756 20 30 EHEDMO C/C(=C\c1ccccc1)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000494287954 1120527252 /nfs/dbraw/zinc/52/72/52/1120527252.db2.gz NPVAKPJLQJZBNU-MOKGIYGOSA-N 1 1 333.435 3.921 20 30 EHEDMO C/C(=C\c1ccccc1)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000494287954 1120527254 /nfs/dbraw/zinc/52/72/54/1120527254.db2.gz NPVAKPJLQJZBNU-MOKGIYGOSA-N 1 1 333.435 3.921 20 30 EHEDMO C=CC[N@@H+](C)CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000494657199 1120714139 /nfs/dbraw/zinc/71/41/39/1120714139.db2.gz SBUGKJPABYKAJP-UHFFFAOYSA-N 1 1 339.277 3.902 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c(OC(F)F)c1 ZINC000494710360 1120738496 /nfs/dbraw/zinc/73/84/96/1120738496.db2.gz PXWQIFXFSNOZDH-INIZCTEOSA-N 1 1 336.382 3.551 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c(OC(F)F)c1 ZINC000494710360 1120738501 /nfs/dbraw/zinc/73/85/01/1120738501.db2.gz PXWQIFXFSNOZDH-INIZCTEOSA-N 1 1 336.382 3.551 20 30 EHEDMO CCCC[C@@H](CC)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C)C#N)CC2 ZINC001272610281 1121228953 /nfs/dbraw/zinc/22/89/53/1121228953.db2.gz DEGTVBYPWUNNKY-QZTJIDSGSA-N 1 1 333.520 3.677 20 30 EHEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000915216568 1121252176 /nfs/dbraw/zinc/25/21/76/1121252176.db2.gz QEZVSNVTVMGFQG-KYJSFNMBSA-N 1 1 348.450 3.734 20 30 EHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)[C@H]1CCCN(c2ccccc2)C1 ZINC000282110753 1121264976 /nfs/dbraw/zinc/26/49/76/1121264976.db2.gz WZEFFQANVIFYIV-FQEVSTJZSA-N 1 1 341.499 3.688 20 30 EHEDMO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000193448786 1121298098 /nfs/dbraw/zinc/29/80/98/1121298098.db2.gz QSQTVDDQDQNSTN-UHFFFAOYSA-N 1 1 347.340 3.648 20 30 EHEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000193448786 1121298103 /nfs/dbraw/zinc/29/81/03/1121298103.db2.gz QSQTVDDQDQNSTN-UHFFFAOYSA-N 1 1 347.340 3.648 20 30 EHEDMO CCCCCCCC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000915297449 1121317802 /nfs/dbraw/zinc/31/78/02/1121317802.db2.gz LHFUIYUBTHNKNE-IBGZPJMESA-N 1 1 345.531 3.674 20 30 EHEDMO CN(CCO)c1ccc(C=[NH+]Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000916249381 1122109873 /nfs/dbraw/zinc/10/98/73/1122109873.db2.gz IJDCTCSWCUPBOQ-UHFFFAOYSA-N 1 1 338.238 3.868 20 30 EHEDMO CCN(CCO)c1ccc(C=[NH+]Nc2cc(C)ccc2C)c(C)c1 ZINC000916345630 1122131905 /nfs/dbraw/zinc/13/19/05/1122131905.db2.gz JJNFATKQEZXILS-UHFFFAOYSA-N 1 1 325.456 3.876 20 30 EHEDMO C=CC[N@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C(C)C ZINC000917167937 1122543891 /nfs/dbraw/zinc/54/38/91/1122543891.db2.gz JKGUBIPOJZDDKM-UHFFFAOYSA-N 1 1 344.455 3.953 20 30 EHEDMO C=CC[N@@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C(C)C ZINC000917167937 1122543896 /nfs/dbraw/zinc/54/38/96/1122543896.db2.gz JKGUBIPOJZDDKM-UHFFFAOYSA-N 1 1 344.455 3.953 20 30 EHEDMO C[C@@H](c1ccc(F)c(F)c1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000497488847 1122563933 /nfs/dbraw/zinc/56/39/33/1122563933.db2.gz JZXRLDHUMLZQOO-HNNXBMFYSA-N 1 1 341.405 3.715 20 30 EHEDMO Cc1nc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)sc1Br ZINC000922074238 1129075876 /nfs/dbraw/zinc/07/58/76/1129075876.db2.gz ZWNMZGGOTKYESQ-ZDUSSCGKSA-N 1 1 348.269 3.863 20 30 EHEDMO C=CCN(CCc1ccco1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000498156127 1122785200 /nfs/dbraw/zinc/78/52/00/1122785200.db2.gz HLBVYPWWODGMQF-UHFFFAOYSA-N 1 1 347.503 3.674 20 30 EHEDMO COc1cccc(C[N@H+](C)Cc2cccc(C#N)c2)c1OC(F)F ZINC000194819538 1122972881 /nfs/dbraw/zinc/97/28/81/1122972881.db2.gz UMQOQAQFKGRDEP-UHFFFAOYSA-N 1 1 332.350 3.800 20 30 EHEDMO COc1cccc(C[N@@H+](C)Cc2cccc(C#N)c2)c1OC(F)F ZINC000194819538 1122972885 /nfs/dbraw/zinc/97/28/85/1122972885.db2.gz UMQOQAQFKGRDEP-UHFFFAOYSA-N 1 1 332.350 3.800 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000194973054 1123092350 /nfs/dbraw/zinc/09/23/50/1123092350.db2.gz JEGYFCOEULQTQM-CYBMUJFWSA-N 1 1 327.815 3.843 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000194973054 1123092354 /nfs/dbraw/zinc/09/23/54/1123092354.db2.gz JEGYFCOEULQTQM-CYBMUJFWSA-N 1 1 327.815 3.843 20 30 EHEDMO C[C@@H]1CCC[C@H](C)[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000072687064 1123142242 /nfs/dbraw/zinc/14/22/42/1123142242.db2.gz ZNDKTDOOWPKKRR-CABCVRRESA-N 1 1 331.485 3.751 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000072828032 1123165450 /nfs/dbraw/zinc/16/54/50/1123165450.db2.gz QFAYWMQBYSYUBD-CQSZACIVSA-N 1 1 331.485 3.609 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000072828032 1123165452 /nfs/dbraw/zinc/16/54/52/1123165452.db2.gz QFAYWMQBYSYUBD-CQSZACIVSA-N 1 1 331.485 3.609 20 30 EHEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000132881102 1123313248 /nfs/dbraw/zinc/31/32/48/1123313248.db2.gz QMXHQIITOOMCTG-MOPGFXCFSA-N 1 1 342.487 3.595 20 30 EHEDMO C[C@H]1C[N@H+](CCCOc2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 ZINC000920417651 1123366254 /nfs/dbraw/zinc/36/62/54/1123366254.db2.gz KRKGQUCNYWRTIV-LAUBAEHRSA-N 1 1 336.435 3.789 20 30 EHEDMO C[C@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 ZINC000920417651 1123366257 /nfs/dbraw/zinc/36/62/57/1123366257.db2.gz KRKGQUCNYWRTIV-LAUBAEHRSA-N 1 1 336.435 3.789 20 30 EHEDMO CC[N@@H+](CCNC(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)C ZINC000077468607 1123557943 /nfs/dbraw/zinc/55/79/43/1123557943.db2.gz CFBQSRZGLNYYQA-OAHLLOKOSA-N 1 1 348.516 3.933 20 30 EHEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000609432264 1123578472 /nfs/dbraw/zinc/57/84/72/1123578472.db2.gz ZCTLHSRQDAFOAN-QGZVFWFLSA-N 1 1 338.451 3.899 20 30 EHEDMO CC(C)[N@@H+](CCC(=O)NCC1CCCCC1)Cc1ccc(C#N)cc1 ZINC000609431127 1123578633 /nfs/dbraw/zinc/57/86/33/1123578633.db2.gz VPTPNLNSOGDDIY-UHFFFAOYSA-N 1 1 341.499 3.855 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000079267649 1123682450 /nfs/dbraw/zinc/68/24/50/1123682450.db2.gz YINSMRVXEAZJLT-CVEARBPZSA-N 1 1 335.517 3.566 20 30 EHEDMO Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000610004238 1123712300 /nfs/dbraw/zinc/71/23/00/1123712300.db2.gz HGXWYHHPCHFVRU-DZFGPLHGSA-N 1 1 341.499 3.823 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2coc(-c3cccs3)n2)cc1 ZINC000237601764 1123786070 /nfs/dbraw/zinc/78/60/70/1123786070.db2.gz AQLCOBAUBIHYBN-CYBMUJFWSA-N 1 1 339.420 3.984 20 30 EHEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000245955747 1123990085 /nfs/dbraw/zinc/99/00/85/1123990085.db2.gz QMXHQIITOOMCTG-RBUKOAKNSA-N 1 1 342.487 3.595 20 30 EHEDMO C[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@H]1O ZINC000248846674 1124707413 /nfs/dbraw/zinc/70/74/13/1124707413.db2.gz UPPBGGKAFOGDET-WIYYLYMNSA-N 1 1 334.463 3.589 20 30 EHEDMO C=CCCCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000089751543 1124847947 /nfs/dbraw/zinc/84/79/47/1124847947.db2.gz ZOSMCBRHUPXHCU-SJORKVTESA-N 1 1 335.879 3.693 20 30 EHEDMO C=CCCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000089751543 1124847953 /nfs/dbraw/zinc/84/79/53/1124847953.db2.gz ZOSMCBRHUPXHCU-SJORKVTESA-N 1 1 335.879 3.693 20 30 EHEDMO CC(C)(C#N)c1ccccc1C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000089952659 1124877351 /nfs/dbraw/zinc/87/73/51/1124877351.db2.gz IDXDNPKFVNCWRJ-MSOLQXFVSA-N 1 1 344.524 3.974 20 30 EHEDMO C#CCOc1ccc(C[NH2+]CC(C)(C)N[C@@H](C)c2ccccc2)cc1 ZINC000733900821 1124952579 /nfs/dbraw/zinc/95/25/79/1124952579.db2.gz KRTBPTBCNUSUGX-SFHVURJKSA-N 1 1 336.479 3.918 20 30 EHEDMO C=CCOc1ccc(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000735220681 1131322993 /nfs/dbraw/zinc/32/29/93/1131322993.db2.gz FCVFAFBAGUCVAY-FQEVSTJZSA-N 1 1 337.419 3.683 20 30 EHEDMO CC[N@H+]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000618288456 1125038945 /nfs/dbraw/zinc/03/89/45/1125038945.db2.gz WWAJFCLWUVCNEZ-HXUWFJFHSA-N 1 1 347.506 3.912 20 30 EHEDMO CCN1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000618288456 1125038951 /nfs/dbraw/zinc/03/89/51/1125038951.db2.gz WWAJFCLWUVCNEZ-HXUWFJFHSA-N 1 1 347.506 3.912 20 30 EHEDMO CCN1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000618288456 1125038960 /nfs/dbraw/zinc/03/89/60/1125038960.db2.gz WWAJFCLWUVCNEZ-HXUWFJFHSA-N 1 1 347.506 3.912 20 30 EHEDMO C=CC[C@H]1[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCCC1(C)C ZINC000618327853 1125046968 /nfs/dbraw/zinc/04/69/68/1125046968.db2.gz WLCNYJXJKFFKIT-AZUAARDMSA-N 1 1 342.483 3.559 20 30 EHEDMO COCC[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1OCC#N ZINC000735306754 1131329931 /nfs/dbraw/zinc/32/99/31/1131329931.db2.gz SQGDQOXWNOEMIF-UHFFFAOYSA-N 1 1 344.842 3.891 20 30 EHEDMO COCC[N@@H+](Cc1ccccc1)Cc1cc(Cl)ccc1OCC#N ZINC000735306754 1131329937 /nfs/dbraw/zinc/32/99/37/1131329937.db2.gz SQGDQOXWNOEMIF-UHFFFAOYSA-N 1 1 344.842 3.891 20 30 EHEDMO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)nnn1-c1ccccc1 ZINC000618805452 1125207996 /nfs/dbraw/zinc/20/79/96/1125207996.db2.gz OHBLIBPXWOARTH-JLTOFOAXSA-N 1 1 343.434 3.786 20 30 EHEDMO Cc1ccc(C[N@H+](C2CC2)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000619152544 1125293419 /nfs/dbraw/zinc/29/34/19/1125293419.db2.gz RGUNUVBUWRLQGY-FQEVSTJZSA-N 1 1 349.434 3.620 20 30 EHEDMO Cc1ccc(C[N@@H+](C2CC2)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000619152544 1125293422 /nfs/dbraw/zinc/29/34/22/1125293422.db2.gz RGUNUVBUWRLQGY-FQEVSTJZSA-N 1 1 349.434 3.620 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(C#N)nc2)cc1 ZINC000115035098 1129224269 /nfs/dbraw/zinc/22/42/69/1129224269.db2.gz HUCQTNUOUHUVMZ-OAHLLOKOSA-N 1 1 334.423 3.580 20 30 EHEDMO C=C(C)COc1cccc(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000067318890 1129264795 /nfs/dbraw/zinc/26/47/95/1129264795.db2.gz JJSPUQAOEVOKEY-UHFFFAOYSA-N 1 1 345.487 3.980 20 30 EHEDMO C=C(CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000673342366 1129312025 /nfs/dbraw/zinc/31/20/25/1129312025.db2.gz LISARONFMOPWDE-NRFANRHFSA-N 1 1 334.463 3.728 20 30 EHEDMO C=C(C)C[C@H](C)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000466414499 1129432771 /nfs/dbraw/zinc/43/27/71/1129432771.db2.gz AXSIMCJFLFTLCQ-YESZJQIVSA-N 1 1 330.472 3.837 20 30 EHEDMO C=C(C)C[C@H](C)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000466414499 1129432772 /nfs/dbraw/zinc/43/27/72/1129432772.db2.gz AXSIMCJFLFTLCQ-YESZJQIVSA-N 1 1 330.472 3.837 20 30 EHEDMO C=CCCCCCN(C)C(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000265861111 1129513917 /nfs/dbraw/zinc/51/39/17/1129513917.db2.gz XIMJLQWABVHVBW-UHFFFAOYSA-N 1 1 349.544 3.868 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2c(C#N)nnc3ccccc32)C1 ZINC000265874995 1129590006 /nfs/dbraw/zinc/59/00/06/1129590006.db2.gz WQXBVCSVHIVYHZ-SJORKVTESA-N 1 1 349.482 3.592 20 30 EHEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093531795 1129592915 /nfs/dbraw/zinc/59/29/15/1129592915.db2.gz FODJBKLRUDXNLK-KUHUBIRLSA-N 1 1 334.398 3.928 20 30 EHEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093531795 1129592918 /nfs/dbraw/zinc/59/29/18/1129592918.db2.gz FODJBKLRUDXNLK-KUHUBIRLSA-N 1 1 334.398 3.928 20 30 EHEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@@]4(CCOC4)C3)c2)c1 ZINC000093820566 1129604939 /nfs/dbraw/zinc/60/49/39/1129604939.db2.gz FBWJGGWGSJJGQD-JOCHJYFZSA-N 1 1 348.446 3.750 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000125005021 1129652683 /nfs/dbraw/zinc/65/26/83/1129652683.db2.gz ZWYHZUXMLBWXJS-SFHVURJKSA-N 1 1 347.462 3.603 20 30 EHEDMO CCCC[N@H+](C)CC1CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000156245198 1129707482 /nfs/dbraw/zinc/70/74/82/1129707482.db2.gz DYISSGCGJZOCOZ-UHFFFAOYSA-N 1 1 329.488 3.511 20 30 EHEDMO CCCC[N@@H+](C)CC1CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000156245198 1129707485 /nfs/dbraw/zinc/70/74/85/1129707485.db2.gz DYISSGCGJZOCOZ-UHFFFAOYSA-N 1 1 329.488 3.511 20 30 EHEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000125690281 1129710915 /nfs/dbraw/zinc/71/09/15/1129710915.db2.gz SDTVWWAPIXRBDG-KRWDZBQOSA-N 1 1 347.418 3.958 20 30 EHEDMO COc1cc(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)ccc1C#N ZINC000282300255 1129726366 /nfs/dbraw/zinc/72/63/66/1129726366.db2.gz MHTTYDYPTKFVJG-UHFFFAOYSA-N 1 1 349.478 3.663 20 30 EHEDMO COc1cc(CN(C)C2CC[NH+](Cc3ccccc3)CC2)ccc1C#N ZINC000282300255 1129726368 /nfs/dbraw/zinc/72/63/68/1129726368.db2.gz MHTTYDYPTKFVJG-UHFFFAOYSA-N 1 1 349.478 3.663 20 30 EHEDMO C=CCCCCCCCC(=O)N1C[C@@H]2OCC[N@H+](C3CCCC3)[C@H]2C1 ZINC001273089309 1129768985 /nfs/dbraw/zinc/76/89/85/1129768985.db2.gz KPRPJCFMIYLHBO-PMACEKPBSA-N 1 1 348.531 3.757 20 30 EHEDMO C=CCCCCCCCC(=O)N1C[C@@H]2OCC[N@@H+](C3CCCC3)[C@H]2C1 ZINC001273089309 1129768989 /nfs/dbraw/zinc/76/89/89/1129768989.db2.gz KPRPJCFMIYLHBO-PMACEKPBSA-N 1 1 348.531 3.757 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000161839075 1129775681 /nfs/dbraw/zinc/77/56/81/1129775681.db2.gz MLVOILRVWDGCDZ-UHFFFAOYSA-N 1 1 335.451 3.637 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCC3CCCC3)CC2)cc1 ZINC000028690865 1129817106 /nfs/dbraw/zinc/81/71/06/1129817106.db2.gz NXYHZNYEVAGRFH-UHFFFAOYSA-N 1 1 339.483 3.563 20 30 EHEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000625702420 1129986205 /nfs/dbraw/zinc/98/62/05/1129986205.db2.gz FUXZILDIIYLGKK-QGZVFWFLSA-N 1 1 349.478 3.682 20 30 EHEDMO N#Cc1cc(C[N@@H+](CCCO)Cc2cccc(Cl)c2)ccc1F ZINC000134294005 1129990536 /nfs/dbraw/zinc/99/05/36/1129990536.db2.gz VZFKXOZIJVNLLP-UHFFFAOYSA-N 1 1 332.806 3.735 20 30 EHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)c1 ZINC000171093228 1130009295 /nfs/dbraw/zinc/00/92/95/1130009295.db2.gz FAXJCPFCXIPEBP-SFHVURJKSA-N 1 1 338.382 3.806 20 30 EHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)c1 ZINC000171093228 1130009298 /nfs/dbraw/zinc/00/92/98/1130009298.db2.gz FAXJCPFCXIPEBP-SFHVURJKSA-N 1 1 338.382 3.806 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000766092151 1130265842 /nfs/dbraw/zinc/26/58/42/1130265842.db2.gz PMMJMAIDAXUERG-UHFFFAOYSA-N 1 1 345.450 3.832 20 30 EHEDMO C[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000173987021 1130327396 /nfs/dbraw/zinc/32/73/96/1130327396.db2.gz WCEUTCUPHSYYJI-OLZOCXBDSA-N 1 1 331.485 3.557 20 30 EHEDMO C=CCOc1ccccc1C[NH2+][C@H]1CCOc2c(OC)cccc21 ZINC000675839437 1130491049 /nfs/dbraw/zinc/49/10/49/1130491049.db2.gz DEHNRRVQDOHMEK-KRWDZBQOSA-N 1 1 325.408 3.873 20 30 EHEDMO C=CCn1c2ccccc2n(CN2CCC[N@H+](C(C)C)CC2)c1=S ZINC000727824411 1130600501 /nfs/dbraw/zinc/60/05/01/1130600501.db2.gz WZJOVXSWNGZDPB-UHFFFAOYSA-N 1 1 344.528 3.732 20 30 EHEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCCC)Cc1ccccc1Cl ZINC000732068604 1130883000 /nfs/dbraw/zinc/88/30/00/1130883000.db2.gz WFKKABYLHIOZAO-SFHVURJKSA-N 1 1 332.875 3.566 20 30 EHEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCCC)Cc1ccccc1Cl ZINC000732068604 1130883008 /nfs/dbraw/zinc/88/30/08/1130883008.db2.gz WFKKABYLHIOZAO-SFHVURJKSA-N 1 1 332.875 3.566 20 30 EHEDMO N#CCC[C@H](C#N)C[NH2+]Cc1cccc(C(=O)OCc2ccccc2)c1 ZINC000732919637 1130970389 /nfs/dbraw/zinc/97/03/89/1130970389.db2.gz 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CCN(CCc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001193094635 1135107070 /nfs/dbraw/zinc/10/70/70/1135107070.db2.gz SEMRFJURPJZLCL-JOCHJYFZSA-N 1 1 333.479 3.697 20 30 EHEDMO CC[C@H]1CN(CCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC001193209360 1135114620 /nfs/dbraw/zinc/11/46/20/1135114620.db2.gz FYPOXBVXXKGIGC-QFIPXVFZSA-N 1 1 333.479 3.697 20 30 EHEDMO CC[C@H]1C[N@H+](CCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC001193209360 1135114623 /nfs/dbraw/zinc/11/46/23/1135114623.db2.gz FYPOXBVXXKGIGC-QFIPXVFZSA-N 1 1 333.479 3.697 20 30 EHEDMO CC[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC001193209360 1135114625 /nfs/dbraw/zinc/11/46/25/1135114625.db2.gz FYPOXBVXXKGIGC-QFIPXVFZSA-N 1 1 333.479 3.697 20 30 EHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)c1F ZINC001193509159 1135148226 /nfs/dbraw/zinc/14/82/26/1135148226.db2.gz VXWCUZAMYKEQFS-INIZCTEOSA-N 1 1 348.425 3.959 20 30 EHEDMO C=CC[C@H]1[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCCC1(C)C ZINC001193919608 1135204475 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343.471 3.997 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C3CCC3)CC2)c(C#N)c1C ZINC001197204512 1135659418 /nfs/dbraw/zinc/65/94/18/1135659418.db2.gz ZDTFUHAKNDRVHJ-YOEHRIQHSA-N 1 1 343.471 3.997 20 30 EHEDMO CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000775783811 1135724740 /nfs/dbraw/zinc/72/47/40/1135724740.db2.gz VPDIGEQSNLMSIX-LPHOPBHVSA-N 1 1 327.472 3.671 20 30 EHEDMO C#CC[N@H+](C[C@H](O)COCc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001198104023 1135776282 /nfs/dbraw/zinc/77/62/82/1135776282.db2.gz LPHOTJHBQWDKNW-JTHBVZDNSA-N 1 1 349.474 3.577 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000775847927 1135814047 /nfs/dbraw/zinc/81/40/47/1135814047.db2.gz FUERSZWHVPCXHL-UHFFFAOYSA-N 1 1 334.847 3.635 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000775847927 1135814054 /nfs/dbraw/zinc/81/40/54/1135814054.db2.gz FUERSZWHVPCXHL-UHFFFAOYSA-N 1 1 334.847 3.635 20 30 EHEDMO C=CCCC[N@H+](CC)[C@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC001198458412 1135817135 /nfs/dbraw/zinc/81/71/35/1135817135.db2.gz RUHCNWSZJYSOCU-OAHLLOKOSA-N 1 1 345.512 3.931 20 30 EHEDMO C#Cc1ccc(C[N@@H+](C)[C@H](c2cnn(C)c2)c2cccc(F)c2)cc1 ZINC000809561569 1135850329 /nfs/dbraw/zinc/85/03/29/1135850329.db2.gz ZQQDPHVXDZXBTL-NRFANRHFSA-N 1 1 333.410 3.762 20 30 EHEDMO C#Cc1ccc(C[N@H+](C)[C@H](c2cnn(C)c2)c2cccc(F)c2)cc1 ZINC000809561569 1135850334 /nfs/dbraw/zinc/85/03/34/1135850334.db2.gz ZQQDPHVXDZXBTL-NRFANRHFSA-N 1 1 333.410 3.762 20 30 EHEDMO C#Cc1ccc(C[N@@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)cc1 ZINC000809576831 1135852932 /nfs/dbraw/zinc/85/29/32/1135852932.db2.gz GVUVEQLSUCCUKZ-IBGZPJMESA-N 1 1 338.838 3.559 20 30 EHEDMO C#Cc1ccc(C[N@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)cc1 ZINC000809576831 1135852933 /nfs/dbraw/zinc/85/29/33/1135852933.db2.gz GVUVEQLSUCCUKZ-IBGZPJMESA-N 1 1 338.838 3.559 20 30 EHEDMO C#Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000809619056 1135858371 /nfs/dbraw/zinc/85/83/71/1135858371.db2.gz UTLCIJHCPFLTBY-NOTZXAQLSA-N 1 1 330.475 3.953 20 30 EHEDMO C#Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000809619056 1135858373 /nfs/dbraw/zinc/85/83/73/1135858373.db2.gz UTLCIJHCPFLTBY-NOTZXAQLSA-N 1 1 330.475 3.953 20 30 EHEDMO C#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000809619056 1135858376 /nfs/dbraw/zinc/85/83/76/1135858376.db2.gz UTLCIJHCPFLTBY-NOTZXAQLSA-N 1 1 330.475 3.953 20 30 EHEDMO C[NH+](C)[C@H](CNc1cc(C#N)ccn1)c1ccc(Cl)cc1Cl ZINC001170584909 1135870746 /nfs/dbraw/zinc/87/07/46/1135870746.db2.gz GPVLSVVFINGRSF-OAHLLOKOSA-N 1 1 335.238 3.975 20 30 EHEDMO Cc1[nH+]ccn1C[C@H](C)OC(=O)c1ccccc1-c1ccccc1C#N ZINC000810616038 1135980128 /nfs/dbraw/zinc/98/01/28/1135980128.db2.gz SSMSYIOBKUCTQK-HNNXBMFYSA-N 1 1 345.402 3.976 20 30 EHEDMO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1C[C@H](C)CCC=C(C)C ZINC001201485545 1136026431 /nfs/dbraw/zinc/02/64/31/1136026431.db2.gz IWENKNRRHKXJPG-IEBWSBKVSA-N 1 1 346.519 3.782 20 30 EHEDMO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1C[C@H](C)CCC=C(C)C ZINC001201485545 1136026434 /nfs/dbraw/zinc/02/64/34/1136026434.db2.gz IWENKNRRHKXJPG-IEBWSBKVSA-N 1 1 346.519 3.782 20 30 EHEDMO CCCCCCC[N@H+]1CCO[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001201761766 1136060636 /nfs/dbraw/zinc/06/06/36/1136060636.db2.gz RQJCGXJYOITNPP-MRXNPFEDSA-N 1 1 328.497 3.572 20 30 EHEDMO CCCCCCC[N@@H+]1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001201762753 1136060999 /nfs/dbraw/zinc/06/09/99/1136060999.db2.gz SUVQRWCINVEGKS-GOSISDBHSA-N 1 1 342.487 3.759 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@]2(CCN(Cc3csc(C)n3)C2=O)C1 ZINC001201776637 1136065393 /nfs/dbraw/zinc/06/53/93/1136065393.db2.gz HQRNRTBKZPCVSX-IBGZPJMESA-N 1 1 349.544 3.846 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 ZINC001201776380 1136065631 /nfs/dbraw/zinc/06/56/31/1136065631.db2.gz DCBNIZSFCQYYBR-YADHBBJMSA-N 1 1 344.543 3.975 20 30 EHEDMO CCCCCCCCC[N@H+]1CC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001201839354 1136069706 /nfs/dbraw/zinc/06/97/06/1136069706.db2.gz MENVSVSZHCBTJK-HXUWFJFHSA-N 1 1 346.519 3.600 20 30 EHEDMO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1CCCCCCCCC ZINC001201839602 1136069889 /nfs/dbraw/zinc/06/98/89/1136069889.db2.gz NPNFPUFREPGJRE-SFHVURJKSA-N 1 1 334.508 3.668 20 30 EHEDMO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1CCCCCCCCC ZINC001201839602 1136069892 /nfs/dbraw/zinc/06/98/92/1136069892.db2.gz NPNFPUFREPGJRE-SFHVURJKSA-N 1 1 334.508 3.668 20 30 EHEDMO FC(F)(F)c1ccc(Br)c(C=NNc2cc[nH+]cc2)c1 ZINC000811647271 1136116638 /nfs/dbraw/zinc/11/66/38/1136116638.db2.gz CXBVOXZAECVPCA-UHFFFAOYSA-N 1 1 344.134 3.731 20 30 EHEDMO C=CCc1cc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(O)c(OC)c1 ZINC000811776533 1136133997 /nfs/dbraw/zinc/13/39/97/1136133997.db2.gz DMZXNMDYQMAOAA-APWZRJJASA-N 1 1 331.456 3.519 20 30 EHEDMO Cc1cc(C[N@@H+](C)CCOCCC#N)cc(C)c1OCC(F)(F)F ZINC000338921213 1136171731 /nfs/dbraw/zinc/17/17/31/1136171731.db2.gz QNJOQSFQLAYQNP-UHFFFAOYSA-N 1 1 344.377 3.607 20 30 EHEDMO CCOc1cccc(/C=N/C[C@@H](C)[N@@H+](C)Cc2ccccc2)c1O ZINC000110129371 1136399338 /nfs/dbraw/zinc/39/93/38/1136399338.db2.gz NSUVKHILBVRGNA-ZFMLPXDISA-N 1 1 326.440 3.730 20 30 EHEDMO CC[N@H+](CCC#N)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000851798307 1136408599 /nfs/dbraw/zinc/40/85/99/1136408599.db2.gz QGVQWBAURFYUAT-UHFFFAOYSA-N 1 1 343.471 3.715 20 30 EHEDMO CC[N@@H+](CCC#N)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000851798307 1136408603 /nfs/dbraw/zinc/40/86/03/1136408603.db2.gz QGVQWBAURFYUAT-UHFFFAOYSA-N 1 1 343.471 3.715 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC([C@H]2CCC[N@@H+](CCCC#N)C2)CC1 ZINC000852300205 1136446763 /nfs/dbraw/zinc/44/67/63/1136446763.db2.gz GBCYPZHDTQYMBH-KRWDZBQOSA-N 1 1 335.492 3.649 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000852320341 1136448177 /nfs/dbraw/zinc/44/81/77/1136448177.db2.gz ZMZDEJDLAKUYDT-KRWDZBQOSA-N 1 1 335.492 3.649 20 30 EHEDMO C#CCC[NH+]1CCN([C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000776592696 1136454408 /nfs/dbraw/zinc/45/44/08/1136454408.db2.gz KMLCROCXTQZRNS-HNNXBMFYSA-N 1 1 343.858 3.697 20 30 EHEDMO COc1ccc([C@H]2CCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)cc1F ZINC000852521355 1136462257 /nfs/dbraw/zinc/46/22/57/1136462257.db2.gz OAPRZCOZCZMRLN-MOPGFXCFSA-N 1 1 340.398 3.576 20 30 EHEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000852595034 1136469199 /nfs/dbraw/zinc/46/91/99/1136469199.db2.gz GBQOKMGIZNGOHU-AZUAARDMSA-N 1 1 328.456 3.608 20 30 EHEDMO CC[N@@H+](CCO[C@H](C)C#N)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000852712935 1136479205 /nfs/dbraw/zinc/47/92/05/1136479205.db2.gz LGPLKDQRTBAVAU-UONOGXRCSA-N 1 1 328.378 3.887 20 30 EHEDMO CC(=[NH+]Nc1cc(F)ccc1C)c1ccc(N2CCOCC2)cc1 ZINC000853394215 1136529917 /nfs/dbraw/zinc/52/99/17/1136529917.db2.gz ZUULJUALNJLZOV-UHFFFAOYSA-N 1 1 327.403 3.807 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@H+](C)CC1=CCCOC1 ZINC000853561641 1136544005 /nfs/dbraw/zinc/54/40/05/1136544005.db2.gz LODGEDWEZMZPSX-UHFFFAOYSA-N 1 1 329.469 3.550 20 30 EHEDMO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1CCOCCC#N ZINC000815060895 1136545214 /nfs/dbraw/zinc/54/52/14/1136545214.db2.gz FKVOFYNUKGKIKK-HNNXBMFYSA-N 1 1 338.883 3.568 20 30 EHEDMO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@H+]1CCOCCC#N ZINC000815060895 1136545216 /nfs/dbraw/zinc/54/52/16/1136545216.db2.gz FKVOFYNUKGKIKK-HNNXBMFYSA-N 1 1 338.883 3.568 20 30 EHEDMO N#CCCOCC[N@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000815101175 1136556367 /nfs/dbraw/zinc/55/63/67/1136556367.db2.gz PMVBSYYWRNRUQQ-SFHVURJKSA-N 1 1 342.418 3.673 20 30 EHEDMO N#CCCOCC[N@@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000815101175 1136556368 /nfs/dbraw/zinc/55/63/68/1136556368.db2.gz PMVBSYYWRNRUQQ-SFHVURJKSA-N 1 1 342.418 3.673 20 30 EHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)CC1(C#N)CC1 ZINC000816068016 1136669844 /nfs/dbraw/zinc/66/98/44/1136669844.db2.gz HDWKOBKWKXNPPB-QGZVFWFLSA-N 1 1 326.440 3.524 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000776797585 1136672895 /nfs/dbraw/zinc/67/28/95/1136672895.db2.gz IOMYCEUTESAPKJ-YJBOKZPZSA-N 1 1 343.471 3.602 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000776799386 1136677707 /nfs/dbraw/zinc/67/77/07/1136677707.db2.gz QPLXQKORDQAUIW-QAPCUYQASA-N 1 1 343.471 3.602 20 30 EHEDMO C[C@H]1[C@H](OC(=O)c2cccc(C#N)c2)CCC[N@H+]1Cc1ccccc1 ZINC000816468584 1136719786 /nfs/dbraw/zinc/71/97/86/1136719786.db2.gz JVKIRBYAUQKZIJ-OXJNMPFZSA-N 1 1 334.419 3.768 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)c1cccc(C#N)c1 ZINC000816453130 1136722545 /nfs/dbraw/zinc/72/25/45/1136722545.db2.gz KMZMYGVUNXPXND-JXFKEZNVSA-N 1 1 334.419 3.626 20 30 EHEDMO CC(C)(C)[C@]1(C=NOC[C@@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000857209347 1136854081 /nfs/dbraw/zinc/85/40/81/1136854081.db2.gz DCUMQCZUGDNQJN-CTNGQTDRSA-N 1 1 344.499 3.964 20 30 EHEDMO Cc1cc(C#N)cc(NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)c1 ZINC000857281800 1136859616 /nfs/dbraw/zinc/85/96/16/1136859616.db2.gz JCUDEHBGJWOLIH-IBGZPJMESA-N 1 1 333.435 3.928 20 30 EHEDMO C[N@H+]1CCC[C@@H](c2cccc(C(=O)N3Cc4cccc(C#N)c4C3)c2)C1 ZINC000857296854 1136860351 /nfs/dbraw/zinc/86/03/51/1136860351.db2.gz GCCOBPHQWIVGQB-LJQANCHMSA-N 1 1 345.446 3.523 20 30 EHEDMO C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819024381 1136904414 /nfs/dbraw/zinc/90/44/14/1136904414.db2.gz PDOQMUMEQRZNGI-QGZVFWFLSA-N 1 1 343.298 3.657 20 30 EHEDMO C=C(C)C[NH+]1CCC(NC[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819024381 1136904417 /nfs/dbraw/zinc/90/44/17/1136904417.db2.gz PDOQMUMEQRZNGI-QGZVFWFLSA-N 1 1 343.298 3.657 20 30 EHEDMO Cc1ccc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)cc1C#N ZINC000859204404 1137007622 /nfs/dbraw/zinc/00/76/22/1137007622.db2.gz HIIPWOQTTJXPPD-WBVHZDCISA-N 1 1 343.471 3.602 20 30 EHEDMO C=C(C)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000859602835 1137022106 /nfs/dbraw/zinc/02/21/06/1137022106.db2.gz DKMCJUZDTJRNNM-QWHCGFSZSA-N 1 1 336.398 3.588 20 30 EHEDMO C[C@@H](C[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1)NC(=O)OC(C)(C)C ZINC000860097691 1137043943 /nfs/dbraw/zinc/04/39/43/1137043943.db2.gz VONKLQALWPADOE-HNNXBMFYSA-N 1 1 345.487 3.833 20 30 EHEDMO CC[C@@](C)(C(=O)OC)[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CC1CC1 ZINC000822504328 1137063450 /nfs/dbraw/zinc/06/34/50/1137063450.db2.gz RXKBEKBYHNIDNJ-YWZLYKJASA-N 1 1 344.455 3.531 20 30 EHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cn1cnc(-c2ccccc2)n1 ZINC000117862880 1137085056 /nfs/dbraw/zinc/08/50/56/1137085056.db2.gz PKMGXFQCIIWAPI-UHFFFAOYSA-N 1 1 331.423 3.685 20 30 EHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cn1cnc(-c2ccccc2)n1 ZINC000117862880 1137085058 /nfs/dbraw/zinc/08/50/58/1137085058.db2.gz PKMGXFQCIIWAPI-UHFFFAOYSA-N 1 1 331.423 3.685 20 30 EHEDMO C[C@]1(C[NH2+]C2CCC(C)(C#N)CC2)CCN(Cc2ccccc2)C1 ZINC000824333172 1137132596 /nfs/dbraw/zinc/13/25/96/1137132596.db2.gz TYVSWZQUZFNVSS-XVAXZDLZSA-N 1 1 325.500 3.961 20 30 EHEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171059795 1137143662 /nfs/dbraw/zinc/14/36/62/1137143662.db2.gz QWNQNALXJNSMMR-HZPDHXFCSA-N 1 1 348.874 3.574 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2nc3ccc(Br)cc3s2)C1 ZINC000862445132 1137144980 /nfs/dbraw/zinc/14/49/80/1137144980.db2.gz MKPWPPZCFPZIEB-LLVKDONJSA-N 1 1 335.270 3.904 20 30 EHEDMO Cc1cccn2c(C[NH+]3CCC(C#N)(c4ccccc4)CC3)cnc12 ZINC001136958316 1137156939 /nfs/dbraw/zinc/15/69/39/1137156939.db2.gz MKPOMUITXIZHQT-UHFFFAOYSA-N 1 1 330.435 3.700 20 30 EHEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(C)cc(C(C)(C)C)c1 ZINC001171072468 1137161618 /nfs/dbraw/zinc/16/16/18/1137161618.db2.gz NLOWUVDQJWWHEL-SFHVURJKSA-N 1 1 332.488 3.931 20 30 EHEDMO CC(N=Nc1ccnc(C(F)(F)F)c1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000863179407 1137172793 /nfs/dbraw/zinc/17/27/93/1137172793.db2.gz WDFADTXHZXCRRB-UHFFFAOYSA-N 1 1 348.372 3.625 20 30 EHEDMO C=CCc1cc(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(O)c(OC)c1 ZINC000863275179 1137179062 /nfs/dbraw/zinc/17/90/62/1137179062.db2.gz QLDSUDXOPRGRAS-BETUJISGSA-N 1 1 325.399 3.852 20 30 EHEDMO CC[C@@H]1[N@H+](Cc2c(Cl)cccc2C#N)CCC[C@]12CCC(=O)N2C ZINC001143723420 1137194202 /nfs/dbraw/zinc/19/42/02/1137194202.db2.gz FCWDCQIKSPAZPF-HKUYNNGSSA-N 1 1 345.874 3.577 20 30 EHEDMO CC[C@@H]1[N@@H+](Cc2c(Cl)cccc2C#N)CCC[C@]12CCC(=O)N2C ZINC001143723420 1137194204 /nfs/dbraw/zinc/19/42/04/1137194204.db2.gz FCWDCQIKSPAZPF-HKUYNNGSSA-N 1 1 345.874 3.577 20 30 EHEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1OC ZINC000844313023 1137208737 /nfs/dbraw/zinc/20/87/37/1137208737.db2.gz PVSVIVTUFXOCIU-INIZCTEOSA-N 1 1 325.368 3.716 20 30 EHEDMO CC[C@@H](OCC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000844370105 1137212793 /nfs/dbraw/zinc/21/27/93/1137212793.db2.gz WEXWEACQXMHGIJ-NHCUHLMSSA-N 1 1 338.451 3.691 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c(Br)c1 ZINC000844438429 1137223257 /nfs/dbraw/zinc/22/32/57/1137223257.db2.gz CEYSDRISOPLGGC-AWEZNQCLSA-N 1 1 341.199 3.942 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c(Br)c1 ZINC000844438429 1137223259 /nfs/dbraw/zinc/22/32/59/1137223259.db2.gz CEYSDRISOPLGGC-AWEZNQCLSA-N 1 1 341.199 3.942 20 30 EHEDMO C=CC[C@H](C)C(=O)NC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001144021466 1137229499 /nfs/dbraw/zinc/22/94/99/1137229499.db2.gz MQWAVNRHWNBQJB-KRWDZBQOSA-N 1 1 334.463 3.789 20 30 EHEDMO C=CCC[C@H](C(=O)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1)c1ccccc1 ZINC001144023774 1137229893 /nfs/dbraw/zinc/22/98/93/1137229893.db2.gz BUQCEMSJEKREIV-RBUKOAKNSA-N 1 1 328.500 3.925 20 30 EHEDMO CC[N@@H+](Cc1ccc(Br)cc1)Cc1ccc(C#N)cn1 ZINC001144163519 1137244611 /nfs/dbraw/zinc/24/46/11/1137244611.db2.gz IIGWWHZMZNUEHW-UHFFFAOYSA-N 1 1 330.229 3.738 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(Br)cc3)C2)nc1 ZINC001144163128 1137246770 /nfs/dbraw/zinc/24/67/70/1137246770.db2.gz OHFKSNCRUADIJF-HNNXBMFYSA-N 1 1 342.240 3.705 20 30 EHEDMO C[C@@H](c1cccc(Br)c1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC001144169733 1137248904 /nfs/dbraw/zinc/24/89/04/1137248904.db2.gz TYSBZKLXJAGRPI-LBPRGKRZSA-N 1 1 330.229 3.909 20 30 EHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+]([C@H]3CCc4cc(Cl)ccc43)C2)nc1 ZINC000794834272 1137271070 /nfs/dbraw/zinc/27/10/70/1137271070.db2.gz UOVUYRBRNXDXEW-AEFFLSMTSA-N 1 1 339.826 3.747 20 30 EHEDMO O=c1[nH]c2ccccc2cc1C=NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794833672 1137271879 /nfs/dbraw/zinc/27/18/79/1137271879.db2.gz OULZHXOWXLSZEQ-NLKUQUHMSA-N 1 1 345.446 3.881 20 30 EHEDMO C=C(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001144407618 1137285060 /nfs/dbraw/zinc/28/50/60/1137285060.db2.gz BFXKYCIEFRLAQL-QFIPXVFZSA-N 1 1 348.490 3.814 20 30 EHEDMO [NH2+]=C(Nc1ccc(-n2cccc2)cn1)c1ccc2cc(O)ccc2c1 ZINC001171186329 1137294055 /nfs/dbraw/zinc/29/40/55/1137294055.db2.gz NMUPOQDJFNAZKF-UHFFFAOYSA-N 1 1 328.375 3.768 20 30 EHEDMO COc1ncc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)cc1F ZINC001144467733 1137297541 /nfs/dbraw/zinc/29/75/41/1137297541.db2.gz GTBMXYXPACJQKG-UHFFFAOYSA-N 1 1 339.414 3.556 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc1 ZINC001144578522 1137310823 /nfs/dbraw/zinc/31/08/23/1137310823.db2.gz FSLRTDZGMGJTCR-YJBOKZPZSA-N 1 1 328.456 3.546 20 30 EHEDMO C#Cc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N3CC=C)[C@@H]2CC)cc1 ZINC001144568817 1137311362 /nfs/dbraw/zinc/31/13/62/1137311362.db2.gz FCTBKQJBUHPASL-UNMCSNQZSA-N 1 1 336.479 3.590 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]2C)cc1 ZINC001144576863 1137311929 /nfs/dbraw/zinc/31/19/29/1137311929.db2.gz TWDHRFHXZKZSFU-QAPCUYQASA-N 1 1 328.456 3.546 20 30 EHEDMO Cn1nnc2cc(C[N@@H+](CCC#N)C3CCCCCCC3)ccc21 ZINC001144637188 1137322125 /nfs/dbraw/zinc/32/21/25/1137322125.db2.gz OPSVSULKVHWSNT-UHFFFAOYSA-N 1 1 325.460 3.797 20 30 EHEDMO Cc1cc(O)c(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1C ZINC000120839381 1137322211 /nfs/dbraw/zinc/32/22/11/1137322211.db2.gz XLSYIHZIBDANAL-UHFFFAOYSA-N 1 1 349.478 3.589 20 30 EHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC2(CO)Cc3ccccc3C2)cc1 ZINC001171211957 1137333847 /nfs/dbraw/zinc/33/38/47/1137333847.db2.gz QKHXIAAVCBTYER-JOCHJYFZSA-N 1 1 348.490 3.951 20 30 EHEDMO C[C@H]([NH2+]Cc1cccnc1OC1CCCC1)c1cccc(C#N)c1O ZINC000866230907 1137336813 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20 30 EHEDMO CCOc1cccc(Cl)c1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000847007258 1137382415 /nfs/dbraw/zinc/38/24/15/1137382415.db2.gz DBBWYYBKXSGSCZ-GOSISDBHSA-N 1 1 344.842 3.776 20 30 EHEDMO Fc1cccc(N=NC2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000795008339 1137406188 /nfs/dbraw/zinc/40/61/88/1137406188.db2.gz FVTXFJKDMVHBLU-IRXDYDNUSA-N 1 1 338.430 3.921 20 30 EHEDMO C[C@H](C#N)c1cccc(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2)c1 ZINC001148614992 1137429467 /nfs/dbraw/zinc/42/94/67/1137429467.db2.gz HNPXSRIQURTNTQ-QGZVFWFLSA-N 1 1 335.451 3.518 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCCC3(CCC3)C2)c1C ZINC000348183248 1137451384 /nfs/dbraw/zinc/45/13/84/1137451384.db2.gz UEHSKLCUCWMZFC-UHFFFAOYSA-N 1 1 339.483 3.816 20 30 EHEDMO CC(=O)CC(C)(C)Nc1[nH+]cc2c(c1C#N)N(Cc1ccccc1)CC2 ZINC001171497769 1137492136 /nfs/dbraw/zinc/49/21/36/1137492136.db2.gz ZNKRJFWJEUXVOV-UHFFFAOYSA-N 1 1 348.450 3.686 20 30 EHEDMO Cc1nc(-c2ccccc2)oc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001171791414 1137512447 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333.476 3.543 20 30 EHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@@H](C)CCO[C@H](C)CC)C2 ZINC001172329134 1137550818 /nfs/dbraw/zinc/55/08/18/1137550818.db2.gz FVUMNTRTNQDKOB-NLWGTHIKSA-N 1 1 336.520 3.613 20 30 EHEDMO Cc1csc([C@@H]2CC[N@@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)C2)n1 ZINC000872806413 1137584671 /nfs/dbraw/zinc/58/46/71/1137584671.db2.gz BLEGGEGZJOUEGX-QGZVFWFLSA-N 1 1 349.463 3.634 20 30 EHEDMO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc4nccnc4c3)C2)cc1 ZINC001137092565 1137637217 /nfs/dbraw/zinc/63/72/17/1137637217.db2.gz YMQBUNWUKUDWSU-IBGZPJMESA-N 1 1 344.418 3.545 20 30 EHEDMO COc1ccccc1[C@H]1CC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876758230 1137660713 /nfs/dbraw/zinc/66/07/13/1137660713.db2.gz KAJAASMQCAPUDM-AWEZNQCLSA-N 1 1 327.815 3.605 20 30 EHEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876758230 1137660714 /nfs/dbraw/zinc/66/07/14/1137660714.db2.gz KAJAASMQCAPUDM-AWEZNQCLSA-N 1 1 327.815 3.605 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000876804360 1137661854 /nfs/dbraw/zinc/66/18/54/1137661854.db2.gz OYJHULFNBGYACQ-CABCVRRESA-N 1 1 347.871 3.756 20 30 EHEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000876804360 1137661855 /nfs/dbraw/zinc/66/18/55/1137661855.db2.gz OYJHULFNBGYACQ-CABCVRRESA-N 1 1 347.871 3.756 20 30 EHEDMO C[C@@H](CC1(C#N)CCOCC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000876993522 1137667102 /nfs/dbraw/zinc/66/71/02/1137667102.db2.gz JDAWFFAMXTZVCR-SFHVURJKSA-N 1 1 347.547 3.720 20 30 EHEDMO C=CC[C@H]([NH2+]Cc1nnn(-c2ccccc2)c1C1CC1)c1ccncc1 ZINC000877047148 1137668636 /nfs/dbraw/zinc/66/86/36/1137668636.db2.gz YFLXGATTWQHIIV-IBGZPJMESA-N 1 1 345.450 3.947 20 30 EHEDMO CC(C)Cn1cc([C@H]2[N@@H+](C[C@H](C)CCC#N)CC23CCOCC3)cn1 ZINC000877632601 1137683656 /nfs/dbraw/zinc/68/36/56/1137683656.db2.gz GUPWWWNMBXXBLK-IEBWSBKVSA-N 1 1 344.503 3.632 20 30 EHEDMO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)c1C ZINC000877663897 1137684899 /nfs/dbraw/zinc/68/48/99/1137684899.db2.gz HZPJRJDKJBQTOV-UHFFFAOYSA-N 1 1 339.487 3.502 20 30 EHEDMO COc1cccc(C[N@@H+](C)CC[C@@](C#N)(C(C)=O)c2ccccc2)c1 ZINC000877930877 1137696156 /nfs/dbraw/zinc/69/61/56/1137696156.db2.gz BZVYKPUKLGVWRY-OAQYLSRUSA-N 1 1 336.435 3.568 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCCc2ccccc2C1)c1ccccc1 ZINC000878084776 1137701660 /nfs/dbraw/zinc/70/16/60/1137701660.db2.gz KQWOVVJYIWKEKE-QFIPXVFZSA-N 1 1 332.447 3.875 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCS[C@H](C(C)C)C1)c1ccccc1 ZINC000878152684 1137704733 /nfs/dbraw/zinc/70/47/33/1137704733.db2.gz XOQKFYIPMIUQSZ-RBUKOAKNSA-N 1 1 330.497 3.500 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1cccc(N(C)C)c1)c1ccccc1 ZINC000878283561 1137709678 /nfs/dbraw/zinc/70/96/78/1137709678.db2.gz KBSTWHYTDFCVJS-JOCHJYFZSA-N 1 1 349.478 3.625 20 30 EHEDMO CS[C@@H]1CCCC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878287024 1137709880 /nfs/dbraw/zinc/70/98/80/1137709880.db2.gz PPVRFTRHPGZCLN-MOPGFXCFSA-N 1 1 330.497 3.645 20 30 EHEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000878388909 1137713857 /nfs/dbraw/zinc/71/38/57/1137713857.db2.gz UTMUDWOGFHOXSW-GOEBONIOSA-N 1 1 330.476 3.682 20 30 EHEDMO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@H+](Cc2cc[nH]n2)C1 ZINC001137132144 1137717093 /nfs/dbraw/zinc/71/70/93/1137717093.db2.gz IDKYJYMHDGQTSG-HXUWFJFHSA-N 1 1 342.446 3.741 20 30 EHEDMO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cc[nH]n2)C1 ZINC001137132144 1137717094 /nfs/dbraw/zinc/71/70/94/1137717094.db2.gz IDKYJYMHDGQTSG-HXUWFJFHSA-N 1 1 342.446 3.741 20 30 EHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCC2(CCOCC2)O1 ZINC000878608343 1137722143 /nfs/dbraw/zinc/72/21/43/1137722143.db2.gz PCGFFQALEHIGLD-LJQANCHMSA-N 1 1 347.503 3.570 20 30 EHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)C1CC(OC(C)(C)C)C1)c1ccccc1 ZINC000878722544 1137726353 /nfs/dbraw/zinc/72/63/53/1137726353.db2.gz HHVBEUWFMOGIKB-GRERDSQWSA-N 1 1 342.483 3.705 20 30 EHEDMO Cc1cc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)cc(Cl)n1 ZINC000878961812 1137733661 /nfs/dbraw/zinc/73/36/61/1137733661.db2.gz IJCWWOBQWWSHHS-UHFFFAOYSA-N 1 1 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Cc1cccc([C@H]2CCCCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000609801310 1026563030 /nfs/dbraw/zinc/56/30/30/1026563030.db2.gz KWRFCUMJEKGVMI-TZIWHRDSSA-N 1 1 341.499 3.967 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC000897247584 1026564923 /nfs/dbraw/zinc/56/49/23/1026564923.db2.gz BGOXEHFXDDUCKM-LPHOPBHVSA-N 1 1 335.492 3.792 20 30 EHEDMO CC(C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000342666944 1026653828 /nfs/dbraw/zinc/65/38/28/1026653828.db2.gz UKLXNWMOIZTNJM-MSOLQXFVSA-N 1 1 327.472 3.690 20 30 EHEDMO C=CC[C@@H](CC)NC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000684929503 1026686611 /nfs/dbraw/zinc/68/66/11/1026686611.db2.gz MHKSYRAJMKSUPJ-PKOBYXMFSA-N 1 1 329.488 3.647 20 30 EHEDMO N#Cc1ccc2ncc(C[NH2+][C@H](CC(F)(F)F)c3ccccc3)n2c1 ZINC000342735114 1026893110 /nfs/dbraw/zinc/89/31/10/1026893110.db2.gz WMHPOZNVIWPGPA-MRXNPFEDSA-N 1 1 344.340 3.989 20 30 EHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000531443800 1026926286 /nfs/dbraw/zinc/92/62/86/1026926286.db2.gz PBXFVZIHFNCAOL-QWHCGFSZSA-N 1 1 326.843 3.943 20 30 EHEDMO COC(=O)c1ccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c(F)c1 ZINC000548750028 1026927230 /nfs/dbraw/zinc/92/72/30/1026927230.db2.gz QLCLBZIMUQSQBP-UHFFFAOYSA-N 1 1 340.398 3.895 20 30 EHEDMO COC(=O)c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c(F)c1 ZINC000548750028 1026927233 /nfs/dbraw/zinc/92/72/33/1026927233.db2.gz QLCLBZIMUQSQBP-UHFFFAOYSA-N 1 1 340.398 3.895 20 30 EHEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000511183588 1026989636 /nfs/dbraw/zinc/98/96/36/1026989636.db2.gz LICPCJQBOCRMQB-LBPRGKRZSA-N 1 1 339.266 3.773 20 30 EHEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000511183588 1026989644 /nfs/dbraw/zinc/98/96/44/1026989644.db2.gz LICPCJQBOCRMQB-LBPRGKRZSA-N 1 1 339.266 3.773 20 30 EHEDMO C=CC(C)(C)CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000452774288 1027000164 /nfs/dbraw/zinc/00/01/64/1027000164.db2.gz KSXOTAYYFNCJCD-INIZCTEOSA-N 1 1 329.488 3.822 20 30 EHEDMO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1cnc3ccc(C#N)cn13)[C@@H]2C ZINC000342777843 1027016330 /nfs/dbraw/zinc/01/63/30/1027016330.db2.gz MSKMEIWITHUINM-LSDHHAIUSA-N 1 1 346.434 3.722 20 30 EHEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1cnc3ccc(C#N)cn13)[C@@H]2C ZINC000342777843 1027016337 /nfs/dbraw/zinc/01/63/37/1027016337.db2.gz MSKMEIWITHUINM-LSDHHAIUSA-N 1 1 346.434 3.722 20 30 EHEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)CC(C)(C)C)ccc1Cl ZINC000531587481 1027076434 /nfs/dbraw/zinc/07/64/34/1027076434.db2.gz WCLFHVLVBXDQHP-UHFFFAOYSA-N 1 1 335.879 3.873 20 30 EHEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453105235 1027369935 /nfs/dbraw/zinc/36/99/35/1027369935.db2.gz WGNRRWHEXFFNIY-KRWDZBQOSA-N 1 1 338.499 3.778 20 30 EHEDMO N#Cc1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c(F)c1 ZINC000501575647 1027377134 /nfs/dbraw/zinc/37/71/34/1027377134.db2.gz ASMQLPDIFXMHIU-QPJJXVBHSA-N 1 1 335.426 3.528 20 30 EHEDMO C=CCN(CC[C@@H]1CC[NH2+]C1)Cc1cc(Br)ccc1F ZINC000420311950 1027460393 /nfs/dbraw/zinc/46/03/93/1027460393.db2.gz WKPGKGRQXFYHQQ-ZDUSSCGKSA-N 1 1 341.268 3.576 20 30 EHEDMO C[C@@H]1CCN(c2ncc(C#N)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000078689202 1027504278 /nfs/dbraw/zinc/50/42/78/1027504278.db2.gz FWEOEBAHBXZNQE-OAHLLOKOSA-N 1 1 340.858 3.707 20 30 EHEDMO C[C@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000129650281 1027587803 /nfs/dbraw/zinc/58/78/03/1027587803.db2.gz QGFDUQSYNVZVKE-NHUPUQRLSA-N 1 1 337.511 3.853 20 30 EHEDMO C[C@H](NC1CC(C#N)(c2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000129650281 1027587812 /nfs/dbraw/zinc/58/78/12/1027587812.db2.gz QGFDUQSYNVZVKE-NHUPUQRLSA-N 1 1 337.511 3.853 20 30 EHEDMO C[C@H](NC1CC(C#N)(c2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000129650281 1027587825 /nfs/dbraw/zinc/58/78/25/1027587825.db2.gz QGFDUQSYNVZVKE-NHUPUQRLSA-N 1 1 337.511 3.853 20 30 EHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000459339172 1027727358 /nfs/dbraw/zinc/72/73/58/1027727358.db2.gz NHVUEZRQBYDTBR-OAHLLOKOSA-N 1 1 325.343 3.595 20 30 EHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000459339172 1027727377 /nfs/dbraw/zinc/72/73/77/1027727377.db2.gz NHVUEZRQBYDTBR-OAHLLOKOSA-N 1 1 325.343 3.595 20 30 EHEDMO C#CCN(C(=O)c1ccc(C[N@H+](CC)CCC)cc1)c1nccs1 ZINC001126734269 1027763941 /nfs/dbraw/zinc/76/39/41/1027763941.db2.gz KFRUUJVVCYDQIN-UHFFFAOYSA-N 1 1 341.480 3.655 20 30 EHEDMO C[C@H](C[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000533400569 1027775876 /nfs/dbraw/zinc/77/58/76/1027775876.db2.gz MJVOPAJYMWTYET-CQSZACIVSA-N 1 1 341.842 3.886 20 30 EHEDMO C[C@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1ccc(OCC#N)cc1 ZINC000359864420 1027857200 /nfs/dbraw/zinc/85/72/00/1027857200.db2.gz BZUZCQAAZHTVBG-MEDUHNTESA-N 1 1 330.334 3.651 20 30 EHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C[C@H](C)OC)C(C)C ZINC000533429339 1027858652 /nfs/dbraw/zinc/85/86/52/1027858652.db2.gz BKROXMZYCNSXEL-HNNXBMFYSA-N 1 1 336.501 3.649 20 30 EHEDMO C[C@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000533431284 1027865824 /nfs/dbraw/zinc/86/58/24/1027865824.db2.gz LNDSQYYMASAXTP-JXFKEZNVSA-N 1 1 333.435 3.622 20 30 EHEDMO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000420926343 1027871890 /nfs/dbraw/zinc/87/18/90/1027871890.db2.gz NBHSTSQPHGLZSF-CRAIPNDOSA-N 1 1 328.456 3.695 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420946509 1027911337 /nfs/dbraw/zinc/91/13/37/1027911337.db2.gz LXYKXCWNWPXWKR-TZMCWYRMSA-N 1 1 339.361 3.550 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420946509 1027911356 /nfs/dbraw/zinc/91/13/56/1027911356.db2.gz LXYKXCWNWPXWKR-TZMCWYRMSA-N 1 1 339.361 3.550 20 30 EHEDMO C=CCCCN(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000246191090 1027933201 /nfs/dbraw/zinc/93/32/01/1027933201.db2.gz MKLKJFFLAKYXQI-WBVHZDCISA-N 1 1 335.517 3.739 20 30 EHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](C)CC1(C)C ZINC000472269075 1028004336 /nfs/dbraw/zinc/00/43/36/1028004336.db2.gz LTWCRKSLGRBSPC-CABCVRRESA-N 1 1 345.512 3.997 20 30 EHEDMO C[C@@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1O ZINC000444684040 1028154724 /nfs/dbraw/zinc/15/47/24/1028154724.db2.gz KADAVPDHRXHXRL-WIYYLYMNSA-N 1 1 334.463 3.589 20 30 EHEDMO Cc1cc(C)cc(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000444701657 1028175877 /nfs/dbraw/zinc/17/58/77/1028175877.db2.gz HPPWDPWGIPRCRK-UHFFFAOYSA-N 1 1 332.407 3.857 20 30 EHEDMO Cc1cc(C)cc(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000444701657 1028175884 /nfs/dbraw/zinc/17/58/84/1028175884.db2.gz HPPWDPWGIPRCRK-UHFFFAOYSA-N 1 1 332.407 3.857 20 30 EHEDMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2ccc(OC)c(OC)c2)CCCC1(C)C ZINC000444782557 1028245296 /nfs/dbraw/zinc/24/52/96/1028245296.db2.gz JHWQUJVGRCZHAM-SFHVURJKSA-N 1 1 346.471 3.709 20 30 EHEDMO CC(C)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000444766005 1028250361 /nfs/dbraw/zinc/25/03/61/1028250361.db2.gz GFBUOZYTUNNUND-QZTJIDSGSA-N 1 1 327.472 3.690 20 30 EHEDMO C=CC[C@H]1[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCCC1(C)C ZINC000444786821 1028284529 /nfs/dbraw/zinc/28/45/29/1028284529.db2.gz WAVXXGAIGMHPCB-MRXNPFEDSA-N 1 1 331.416 3.600 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(C#N)cc1F ZINC000353743903 1028302815 /nfs/dbraw/zinc/30/28/15/1028302815.db2.gz FACSELLQVZFAKX-KRWDZBQOSA-N 1 1 337.442 3.794 20 30 EHEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@@]23CCOC3)c1 ZINC000421402415 1028349834 /nfs/dbraw/zinc/34/98/34/1028349834.db2.gz VXJQMDQPXHCGMF-NRFANRHFSA-N 1 1 334.419 3.502 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CCO)CC2)c(C(F)(F)F)c1 ZINC000421404921 1028391898 /nfs/dbraw/zinc/39/18/98/1028391898.db2.gz ZPWPOTVTNNDYMU-CYBMUJFWSA-N 1 1 326.362 3.562 20 30 EHEDMO N#Cc1c(F)cccc1C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000428383750 1028408043 /nfs/dbraw/zinc/40/80/43/1028408043.db2.gz SEQASINRNOSODX-UHFFFAOYSA-N 1 1 334.398 3.953 20 30 EHEDMO N#Cc1cc(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)ccc1F ZINC000468275096 1028408928 /nfs/dbraw/zinc/40/89/28/1028408928.db2.gz VCFKLOBGDBBXDV-OAQYLSRUSA-N 1 1 338.426 3.959 20 30 EHEDMO CC(C)[N@H+](CCCC#N)CC(=O)Nc1ccccc1C(F)(F)F ZINC000071014515 1028471142 /nfs/dbraw/zinc/47/11/42/1028471142.db2.gz NONBPGNBMLHQSR-UHFFFAOYSA-N 1 1 327.350 3.658 20 30 EHEDMO CC(C)[N@@H+](CCCC#N)CC(=O)Nc1ccccc1C(F)(F)F ZINC000071014515 1028471147 /nfs/dbraw/zinc/47/11/47/1028471147.db2.gz NONBPGNBMLHQSR-UHFFFAOYSA-N 1 1 327.350 3.658 20 30 EHEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2cnccc2C)no1 ZINC001211975764 1028724240 /nfs/dbraw/zinc/72/42/40/1028724240.db2.gz PHUZAZFFAQMITE-WBVHZDCISA-N 1 1 344.459 3.518 20 30 EHEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccnc(C)c2)no1 ZINC001211975914 1028730459 /nfs/dbraw/zinc/73/04/59/1028730459.db2.gz UHTMAWVLVLYEIL-SJORKVTESA-N 1 1 344.459 3.518 20 30 EHEDMO C[N@@H+](CCCSCC#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245496512 1028739655 /nfs/dbraw/zinc/73/96/55/1028739655.db2.gz RNSPYVKGCYMELQ-CABCVRRESA-N 1 1 345.295 3.530 20 30 EHEDMO Cc1ccc(NC(=O)[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2ccccc2)cc1 ZINC000424135547 1028850285 /nfs/dbraw/zinc/85/02/85/1028850285.db2.gz ZEKRHPACWXFONG-PWIZWCRZSA-N 1 1 333.435 3.957 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)s1 ZINC000162542962 1028962625 /nfs/dbraw/zinc/96/26/25/1028962625.db2.gz ICWRYPYEQVDMOJ-INIZCTEOSA-N 1 1 326.421 3.728 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)s1 ZINC000162542962 1028962630 /nfs/dbraw/zinc/96/26/30/1028962630.db2.gz ICWRYPYEQVDMOJ-INIZCTEOSA-N 1 1 326.421 3.728 20 30 EHEDMO COCC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c(Cl)c1 ZINC000508540254 1029069703 /nfs/dbraw/zinc/06/97/03/1029069703.db2.gz BSMBLPUMMSTNTL-UHFFFAOYSA-N 1 1 332.806 3.999 20 30 EHEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccn(-c2ccccc2F)n1 ZINC000445822904 1029162710 /nfs/dbraw/zinc/16/27/10/1029162710.db2.gz YBMHGYZUNLZLTP-UHFFFAOYSA-N 1 1 325.387 3.835 20 30 EHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccn(-c2ccccc2F)n1 ZINC000445822904 1029162721 /nfs/dbraw/zinc/16/27/21/1029162721.db2.gz YBMHGYZUNLZLTP-UHFFFAOYSA-N 1 1 325.387 3.835 20 30 EHEDMO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000445886992 1029208493 /nfs/dbraw/zinc/20/84/93/1029208493.db2.gz FADRUQLXZKIOQI-ZDUSSCGKSA-N 1 1 338.333 3.675 20 30 EHEDMO C=C(C)C(C)(C)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424705129 1029281950 /nfs/dbraw/zinc/28/19/50/1029281950.db2.gz YBAQMBAWRPJHSI-LJQANCHMSA-N 1 1 328.500 3.959 20 30 EHEDMO C=CCC1(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)CCOCC1 ZINC000424847277 1029383163 /nfs/dbraw/zinc/38/31/63/1029383163.db2.gz YGOMWAZVONNKTF-UHFFFAOYSA-N 1 1 336.863 3.713 20 30 EHEDMO C=CCN(CC=C)[C@@H](C[NH2+][C@@H](C)c1cc2n(n1)CCCC2)C(C)C ZINC000647282353 1029391159 /nfs/dbraw/zinc/39/11/59/1029391159.db2.gz QELOFTJDRZNMOE-PXNSSMCTSA-N 1 1 330.520 3.569 20 30 EHEDMO C=CC[N@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1ccc(OC)cc1 ZINC000524754525 1029471103 /nfs/dbraw/zinc/47/11/03/1029471103.db2.gz BOIOZGIHWAEQMG-UHFFFAOYSA-N 1 1 342.483 3.617 20 30 EHEDMO C=CC[N@@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1ccc(OC)cc1 ZINC000524754525 1029471109 /nfs/dbraw/zinc/47/11/09/1029471109.db2.gz BOIOZGIHWAEQMG-UHFFFAOYSA-N 1 1 342.483 3.617 20 30 EHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cccc(C(=O)OC)c1C#N ZINC000535979948 1029472798 /nfs/dbraw/zinc/47/27/98/1029472798.db2.gz DJCSRVMYPRAIIQ-UHFFFAOYSA-N 1 1 334.419 3.576 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cccc(C(=O)OC)c1C#N ZINC000535979948 1029472803 /nfs/dbraw/zinc/47/28/03/1029472803.db2.gz DJCSRVMYPRAIIQ-UHFFFAOYSA-N 1 1 334.419 3.576 20 30 EHEDMO C[C@H](C#N)c1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)c1 ZINC001272123049 1029573795 /nfs/dbraw/zinc/57/37/95/1029573795.db2.gz JOWWDDAGNPTZLU-YSGRDPCXSA-N 1 1 337.467 3.545 20 30 EHEDMO CCc1ccc([C@H](CNCc2ccc(C#N)cc2F)[NH+](C)C)cc1 ZINC000533312169 1029595470 /nfs/dbraw/zinc/59/54/70/1029595470.db2.gz KZSWIWMRJYXTQA-FQEVSTJZSA-N 1 1 325.431 3.652 20 30 EHEDMO N#Cc1ccc(F)c(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000533344237 1029640075 /nfs/dbraw/zinc/64/00/75/1029640075.db2.gz XRKWFOOYFQXEHW-UHFFFAOYSA-N 1 1 332.382 3.863 20 30 EHEDMO N#Cc1ccc(F)c(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000533344237 1029640083 /nfs/dbraw/zinc/64/00/83/1029640083.db2.gz XRKWFOOYFQXEHW-UHFFFAOYSA-N 1 1 332.382 3.863 20 30 EHEDMO C[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000525122944 1029694218 /nfs/dbraw/zinc/69/42/18/1029694218.db2.gz ROWDUOSYXZDGOM-FOIQADDNSA-N 1 1 340.398 3.538 20 30 EHEDMO C[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000525122944 1029694221 /nfs/dbraw/zinc/69/42/21/1029694221.db2.gz ROWDUOSYXZDGOM-FOIQADDNSA-N 1 1 340.398 3.538 20 30 EHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C(C)C)C2)c1C ZINC000446729851 1029776058 /nfs/dbraw/zinc/77/60/58/1029776058.db2.gz XIWJXKHJFIYFCY-SFHVURJKSA-N 1 1 327.472 3.528 20 30 EHEDMO CCC[N@@H+](CC(=O)N(C)CC1CCCCC1)Cc1ccc(C#N)cc1 ZINC000525275518 1029784494 /nfs/dbraw/zinc/78/44/94/1029784494.db2.gz VWOXUYCNWRXOER-UHFFFAOYSA-N 1 1 341.499 3.809 20 30 EHEDMO COc1cc(C[N@H+](C)CC#Cc2cccc(Cl)c2)cc(OC)c1 ZINC000446757771 1029791143 /nfs/dbraw/zinc/79/11/43/1029791143.db2.gz DFAKOABWHBLPOF-UHFFFAOYSA-N 1 1 329.827 3.841 20 30 EHEDMO COc1cc(C[N@@H+](C)CC#Cc2cccc(Cl)c2)cc(OC)c1 ZINC000446757771 1029791150 /nfs/dbraw/zinc/79/11/50/1029791150.db2.gz DFAKOABWHBLPOF-UHFFFAOYSA-N 1 1 329.827 3.841 20 30 EHEDMO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@H](CO)c1ccccc1 ZINC000446845996 1029826056 /nfs/dbraw/zinc/82/60/56/1029826056.db2.gz UEXREAQRZQYCQI-GOSISDBHSA-N 1 1 349.352 3.602 20 30 EHEDMO C[C@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000455709969 1029855574 /nfs/dbraw/zinc/85/55/74/1029855574.db2.gz VYHVWVYBOLGLQI-UONOGXRCSA-N 1 1 348.878 3.648 20 30 EHEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455727273 1029863908 /nfs/dbraw/zinc/86/39/08/1029863908.db2.gz GBYCFFQIKHKIJI-ZDUSSCGKSA-N 1 1 336.867 3.648 20 30 EHEDMO Cc1nc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)sc1Br ZINC000453269622 1030005666 /nfs/dbraw/zinc/00/56/66/1030005666.db2.gz QAWZQWDTKDAENB-CYBMUJFWSA-N 1 1 348.269 3.863 20 30 EHEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000187783917 1030113276 /nfs/dbraw/zinc/11/32/76/1030113276.db2.gz RYIJFGZQKRVNJB-LJQANCHMSA-N 1 1 341.361 3.682 20 30 EHEDMO CC[N@@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)C[C@@H](C)C#N ZINC000091984104 1030350420 /nfs/dbraw/zinc/35/04/20/1030350420.db2.gz UIMUKMFGPLLSDB-KRWDZBQOSA-N 1 1 345.450 3.916 20 30 EHEDMO CC[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)C[C@@H](C)C#N ZINC000091984104 1030350435 /nfs/dbraw/zinc/35/04/35/1030350435.db2.gz UIMUKMFGPLLSDB-KRWDZBQOSA-N 1 1 345.450 3.916 20 30 EHEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000532125610 1030420335 /nfs/dbraw/zinc/42/03/35/1030420335.db2.gz DCOMTPUYXMFERG-OAHLLOKOSA-N 1 1 332.419 3.641 20 30 EHEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000532125610 1030420343 /nfs/dbraw/zinc/42/03/43/1030420343.db2.gz DCOMTPUYXMFERG-OAHLLOKOSA-N 1 1 332.419 3.641 20 30 EHEDMO C[C@@](O)(C1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1)C(F)(F)F ZINC000526303785 1030459513 /nfs/dbraw/zinc/45/95/13/1030459513.db2.gz WBLGZFSMZXXJMD-OAHLLOKOSA-N 1 1 346.780 3.737 20 30 EHEDMO C[N@@H+]([C@H]1CCc2ccccc21)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447856576 1030548494 /nfs/dbraw/zinc/54/84/94/1030548494.db2.gz RUZDZKASVRNHNU-LEWJYISDSA-N 1 1 345.446 3.673 20 30 EHEDMO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c(C#N)c1C ZINC000246547842 1030560932 /nfs/dbraw/zinc/56/09/32/1030560932.db2.gz TVQLDRZMIRSGDA-RHSMWYFYSA-N 1 1 337.423 3.585 20 30 EHEDMO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c(C#N)c1C ZINC000246547842 1030560939 /nfs/dbraw/zinc/56/09/39/1030560939.db2.gz TVQLDRZMIRSGDA-RHSMWYFYSA-N 1 1 337.423 3.585 20 30 EHEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000157523908 1030586835 /nfs/dbraw/zinc/58/68/35/1030586835.db2.gz JJLMCICBGGXTBI-INIZCTEOSA-N 1 1 325.378 3.601 20 30 EHEDMO CC1(C)C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1O ZINC000447924872 1030604717 /nfs/dbraw/zinc/60/47/17/1030604717.db2.gz HLQWYKFWZYNVPQ-HXUWFJFHSA-N 1 1 334.463 3.589 20 30 EHEDMO C[C@@H]1OCC[C@@]1(O)C[N@@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000447931430 1030608514 /nfs/dbraw/zinc/60/85/14/1030608514.db2.gz XQUUIUTYTNQZNH-GHTZIAJQSA-N 1 1 344.499 3.749 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)cc1OC ZINC000093442594 1030612695 /nfs/dbraw/zinc/61/26/95/1030612695.db2.gz AKNLGOBFLUTRGC-IBGZPJMESA-N 1 1 341.451 3.816 20 30 EHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc1OC ZINC000093507564 1030625772 /nfs/dbraw/zinc/62/57/72/1030625772.db2.gz JAWFFPSMPFTEDA-QZTJIDSGSA-N 1 1 331.456 3.651 20 30 EHEDMO C[C@H](CO)[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC1CCC1 ZINC000483137072 1030982256 /nfs/dbraw/zinc/98/22/56/1030982256.db2.gz JXEJKKLEAFETJB-CQSZACIVSA-N 1 1 325.374 3.540 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000098137013 1031015277 /nfs/dbraw/zinc/01/52/77/1031015277.db2.gz PRDIPXDGLXWOAG-FQEVSTJZSA-N 1 1 335.451 3.739 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@@H+](CC2CC2)CC2CCC2)cc1Cl ZINC000483286258 1031088565 /nfs/dbraw/zinc/08/85/65/1031088565.db2.gz PWYCVBOQEUTNBF-UHFFFAOYSA-N 1 1 331.847 3.662 20 30 EHEDMO Fc1ccc(C#CC[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000448518843 1031167900 /nfs/dbraw/zinc/16/79/00/1031167900.db2.gz AXWILWVTEGIGNX-SFHVURJKSA-N 1 1 329.440 3.920 20 30 EHEDMO Fc1ccc(C#CC[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000448518843 1031167904 /nfs/dbraw/zinc/16/79/04/1031167904.db2.gz AXWILWVTEGIGNX-SFHVURJKSA-N 1 1 329.440 3.920 20 30 EHEDMO C[C@H](c1ccco1)[N@H+](C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192688062 1031181614 /nfs/dbraw/zinc/18/16/14/1031181614.db2.gz WHMSTXAKEDFQOO-DNVCBOLYSA-N 1 1 349.434 3.872 20 30 EHEDMO C[C@H](c1ccco1)[N@@H+](C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192688062 1031181624 /nfs/dbraw/zinc/18/16/24/1031181624.db2.gz WHMSTXAKEDFQOO-DNVCBOLYSA-N 1 1 349.434 3.872 20 30 EHEDMO Cc1ccnc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1C#N ZINC000343508774 1031192776 /nfs/dbraw/zinc/19/27/76/1031192776.db2.gz JQYJSILFEJKQTD-JOCHJYFZSA-N 1 1 346.478 3.754 20 30 EHEDMO CC[C@@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(F)cc1F ZINC000161007069 1031234028 /nfs/dbraw/zinc/23/40/28/1031234028.db2.gz ZTMRTPKCULXWDC-CXAGYDPISA-N 1 1 349.425 3.737 20 30 EHEDMO Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H](C)CC#N)c2c1C ZINC000343520532 1031237334 /nfs/dbraw/zinc/23/73/34/1031237334.db2.gz QMYOKOJDQJXYDA-LLVKDONJSA-N 1 1 329.473 3.618 20 30 EHEDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)CCOc2cccc(C#N)c2)s1 ZINC000122067277 1031336875 /nfs/dbraw/zinc/33/68/75/1031336875.db2.gz BTQGMZRFHLWMMS-CQSZACIVSA-N 1 1 329.469 3.957 20 30 EHEDMO O=C(NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1)Nc1ccccc1 ZINC000483934992 1031398920 /nfs/dbraw/zinc/39/89/20/1031398920.db2.gz ZLWGVEKJILMWND-NRFANRHFSA-N 1 1 347.462 3.714 20 30 EHEDMO O=C(NC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1)Nc1ccccc1 ZINC000483934992 1031398929 /nfs/dbraw/zinc/39/89/29/1031398929.db2.gz ZLWGVEKJILMWND-NRFANRHFSA-N 1 1 347.462 3.714 20 30 EHEDMO Cc1ccccc1[C@@H](C)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(C)C ZINC000551723259 1031602133 /nfs/dbraw/zinc/60/21/33/1031602133.db2.gz ZARVEMGNNRXMDU-UTKZUKDTSA-N 1 1 341.499 3.823 20 30 EHEDMO C=CC[N@H+](CC(=O)Nc1cc(OC)ccc1OC)CC1CCCCC1 ZINC000484565123 1031745663 /nfs/dbraw/zinc/74/56/63/1031745663.db2.gz BRFJPUCEXQRTLY-UHFFFAOYSA-N 1 1 346.471 3.711 20 30 EHEDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598586518 1033313811 /nfs/dbraw/zinc/31/38/11/1033313811.db2.gz HLLILKDGGMXJTK-WFASDCNBSA-N 1 1 328.378 3.999 20 30 EHEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000598592132 1033318154 /nfs/dbraw/zinc/31/81/54/1033318154.db2.gz FZIIEJNHXZYELW-CYBMUJFWSA-N 1 1 327.255 3.652 20 30 EHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000598592132 1033318169 /nfs/dbraw/zinc/31/81/69/1033318169.db2.gz FZIIEJNHXZYELW-CYBMUJFWSA-N 1 1 327.255 3.652 20 30 EHEDMO C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598617061 1033330316 /nfs/dbraw/zinc/33/03/16/1033330316.db2.gz PJPSJPDRWRUHEN-HIFRSBDPSA-N 1 1 342.405 3.869 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc(OC)c1O ZINC000685465134 1033364738 /nfs/dbraw/zinc/36/47/38/1033364738.db2.gz VHYWDVIGXDJVAA-DLBZAZTESA-N 1 1 345.483 3.768 20 30 EHEDMO Cn1c2ccc(NC[C@H](O)CC(C)(C)C#N)cc2[nH+]c1C(C)(C)C ZINC000598725828 1033418522 /nfs/dbraw/zinc/41/85/22/1033418522.db2.gz IUVXAIBNYWWAIS-CQSZACIVSA-N 1 1 328.460 3.583 20 30 EHEDMO Fc1ccc(C#CCN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000685606188 1033612907 /nfs/dbraw/zinc/61/29/07/1033612907.db2.gz PXLDZMCTQSHQOC-FGZHOGPDSA-N 1 1 348.465 3.631 20 30 EHEDMO N#Cc1cccc(C2([NH2+]Cc3csc(C4CC4)n3)CCOCC2)c1 ZINC000594984712 1033618746 /nfs/dbraw/zinc/61/87/46/1033618746.db2.gz RUNMQVWQPCMONB-UHFFFAOYSA-N 1 1 339.464 3.688 20 30 EHEDMO N#CC1(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CCCCC1 ZINC000594982103 1033619601 /nfs/dbraw/zinc/61/96/01/1033619601.db2.gz YPKQQLHJBCYTNX-UHFFFAOYSA-N 1 1 326.419 3.634 20 30 EHEDMO COC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1cccc(OC)c1 ZINC000595071437 1033646139 /nfs/dbraw/zinc/64/61/39/1033646139.db2.gz ZCXUWFFKNFNWRE-BFUOFWGJSA-N 1 1 328.387 3.744 20 30 EHEDMO COc1cc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)cc(OC)c1OC ZINC000595096674 1033704340 /nfs/dbraw/zinc/70/43/40/1033704340.db2.gz DUUCNVZNSRJJAU-CQSZACIVSA-N 1 1 332.444 3.837 20 30 EHEDMO Cc1ccccc1OCCC[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000282076616 1033709640 /nfs/dbraw/zinc/70/96/40/1033709640.db2.gz UAHAUBAVKCFOJN-UHFFFAOYSA-N 1 1 330.472 3.796 20 30 EHEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c(C#N)cnc3c(F)cc(F)cc32)C1 ZINC000078563638 1033714314 /nfs/dbraw/zinc/71/43/14/1033714314.db2.gz HOBNPYHAAJXRIE-ZDUSSCGKSA-N 1 1 344.409 3.553 20 30 EHEDMO N#C[C@H](c1ccc(Cl)cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000595386674 1033785174 /nfs/dbraw/zinc/78/51/74/1033785174.db2.gz KMRHEAFRTSNRHA-AYOQOUSVSA-N 1 1 329.875 3.853 20 30 EHEDMO Cc1ccc(-n2cnc3c2CC[N@@H+](CCc2ccc(C#N)cc2)C3)cc1 ZINC000595462248 1033818586 /nfs/dbraw/zinc/81/85/86/1033818586.db2.gz SHIZAMJFFCSTSA-UHFFFAOYSA-N 1 1 342.446 3.653 20 30 EHEDMO N#Cc1ccc(C2([NH2+]Cc3ccc(F)cc3[N+](=O)[O-])CCC2)cc1 ZINC000595561473 1033843560 /nfs/dbraw/zinc/84/35/60/1033843560.db2.gz KEVYSTCAIFBOJK-UHFFFAOYSA-N 1 1 325.343 3.775 20 30 EHEDMO CC[N@@H+](C[C@H](O)COc1ccccc1C#N)[C@@H](C)c1ccc(F)cc1 ZINC000599270532 1033852393 /nfs/dbraw/zinc/85/23/93/1033852393.db2.gz NKAAWYKTRUAYBH-KXBFYZLASA-N 1 1 342.414 3.520 20 30 EHEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000618742645 1033879990 /nfs/dbraw/zinc/87/99/90/1033879990.db2.gz NTWMOJFGEHAEDE-QGZVFWFLSA-N 1 1 327.771 3.897 20 30 EHEDMO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](CC#N)C3)co2)cc1 ZINC000595620792 1033904174 /nfs/dbraw/zinc/90/41/74/1033904174.db2.gz QUDZWWSBNDZPRE-HNNXBMFYSA-N 1 1 325.412 3.866 20 30 EHEDMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@H](CC#N)C3)co2)cc1 ZINC000595620792 1033904187 /nfs/dbraw/zinc/90/41/87/1033904187.db2.gz QUDZWWSBNDZPRE-HNNXBMFYSA-N 1 1 325.412 3.866 20 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C=CCC[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccco1 ZINC000658135475 1033969985 /nfs/dbraw/zinc/96/99/85/1033969985.db2.gz DXWKXHULAOHVCP-VQTJNVASSA-N 1 1 340.467 3.643 20 30 EHEDMO C=CCC[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccco1 ZINC000658135475 1033969994 /nfs/dbraw/zinc/96/99/94/1033969994.db2.gz DXWKXHULAOHVCP-VQTJNVASSA-N 1 1 340.467 3.643 20 30 EHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000595733963 1033974999 /nfs/dbraw/zinc/97/49/99/1033974999.db2.gz KYQSNFKIGWJPPK-MRXNPFEDSA-N 1 1 331.485 3.851 20 30 EHEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(Cc2ccc(CC#N)cc2)C1 ZINC000595748259 1033980611 /nfs/dbraw/zinc/98/06/11/1033980611.db2.gz ILRJOOPHLOJQFR-QFIPXVFZSA-N 1 1 333.479 3.501 20 30 EHEDMO CN(CCc1ccccc1)[C@H]1CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000595748259 1033980613 /nfs/dbraw/zinc/98/06/13/1033980613.db2.gz ILRJOOPHLOJQFR-QFIPXVFZSA-N 1 1 333.479 3.501 20 30 EHEDMO CN(CCc1ccccc1)[C@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000595748259 1033980617 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EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1nc(C#N)c(Cl)s1 ZINC000596142136 1034090443 /nfs/dbraw/zinc/09/04/43/1034090443.db2.gz DUXRQNTXWHTFBV-CYBMUJFWSA-N 1 1 346.887 3.769 20 30 EHEDMO COc1ccc([C@@H]2CC[N@H+](Cc3cc(F)ccc3C#N)C2)cc1F ZINC000599679661 1034111011 /nfs/dbraw/zinc/11/10/11/1034111011.db2.gz NIMCETQXOTXVCB-OAHLLOKOSA-N 1 1 328.362 3.835 20 30 EHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)cc1F ZINC000599679661 1034111018 /nfs/dbraw/zinc/11/10/18/1034111018.db2.gz NIMCETQXOTXVCB-OAHLLOKOSA-N 1 1 328.362 3.835 20 30 EHEDMO C=CC[N@H+](CCCc1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211342 1034120313 /nfs/dbraw/zinc/12/03/13/1034120313.db2.gz RMNWZZXDXLENEX-GOSISDBHSA-N 1 1 347.466 3.844 20 30 EHEDMO N#Cc1ccc(N2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)c(F)c1 ZINC000529525679 1034136594 /nfs/dbraw/zinc/13/65/94/1034136594.db2.gz LDGDFMQTPRYCHB-UHFFFAOYSA-N 1 1 334.398 3.501 20 30 EHEDMO CC[C@H](CC#N)[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529542194 1034145006 /nfs/dbraw/zinc/14/50/06/1034145006.db2.gz KSDHCCOCXVHFIC-SNVBAGLBSA-N 1 1 339.262 3.683 20 30 EHEDMO N#CCc1ccccc1CC(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000761164000 1034147269 /nfs/dbraw/zinc/14/72/69/1034147269.db2.gz WUDLNTYNLSYTEO-OAQYLSRUSA-N 1 1 348.446 3.503 20 30 EHEDMO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC(C#N)CC1 ZINC000057907664 1034260803 /nfs/dbraw/zinc/26/08/03/1034260803.db2.gz CSUDURKFQRIKDV-QGZVFWFLSA-N 1 1 347.462 3.516 20 30 EHEDMO CCOC(=O)c1ccc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)o1 ZINC000179464407 1034327392 /nfs/dbraw/zinc/32/73/92/1034327392.db2.gz QCFYLZMSJJDABN-CQSZACIVSA-N 1 1 326.396 3.911 20 30 EHEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCCc4ccccc4C3)o2)c1 ZINC000534291330 1034346351 /nfs/dbraw/zinc/34/63/51/1034346351.db2.gz BOGBBHLJQPRZNB-UHFFFAOYSA-N 1 1 330.391 3.557 20 30 EHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCCc4ccccc4C3)o2)c1 ZINC000534291330 1034346365 /nfs/dbraw/zinc/34/63/65/1034346365.db2.gz BOGBBHLJQPRZNB-UHFFFAOYSA-N 1 1 330.391 3.557 20 30 EHEDMO CCCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](C)c1ccc(C)o1 ZINC000604493595 1034400599 /nfs/dbraw/zinc/40/05/99/1034400599.db2.gz LJDWBWLWVBMOOC-HNAYVOBHSA-N 1 1 331.460 3.560 20 30 EHEDMO CCCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](C)c1ccc(C)o1 ZINC000604493595 1034400601 /nfs/dbraw/zinc/40/06/01/1034400601.db2.gz LJDWBWLWVBMOOC-HNAYVOBHSA-N 1 1 331.460 3.560 20 30 EHEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000450485977 1034414970 /nfs/dbraw/zinc/41/49/70/1034414970.db2.gz KDNBZHSMMGVMOQ-IAGOWNOFSA-N 1 1 336.426 3.817 20 30 EHEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000450485977 1034414976 /nfs/dbraw/zinc/41/49/76/1034414976.db2.gz KDNBZHSMMGVMOQ-IAGOWNOFSA-N 1 1 336.426 3.817 20 30 EHEDMO CCC[N@H+](Cc1c(C(F)(F)F)cnn1C)Cc1ccc(C#N)cc1 ZINC000596983639 1034481573 /nfs/dbraw/zinc/48/15/73/1034481573.db2.gz DBLOUYKHKMIFNX-UHFFFAOYSA-N 1 1 336.361 3.723 20 30 EHEDMO CCC[N@@H+](Cc1c(C(F)(F)F)cnn1C)Cc1ccc(C#N)cc1 ZINC000596983639 1034481575 /nfs/dbraw/zinc/48/15/75/1034481575.db2.gz DBLOUYKHKMIFNX-UHFFFAOYSA-N 1 1 336.361 3.723 20 30 EHEDMO C[C@@H](c1cccnc1)N1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597011095 1034491246 /nfs/dbraw/zinc/49/12/46/1034491246.db2.gz UGEYESFYWZLULO-SFHVURJKSA-N 1 1 346.478 3.516 20 30 EHEDMO C[C@H](CN=Cc1cc2ccccc2[nH]c1=O)[N@@H+](C)Cc1ccccc1 ZINC000255837614 1034504376 /nfs/dbraw/zinc/50/43/76/1034504376.db2.gz GFINQGPQMLLSGM-LRSOKBAUSA-N 1 1 333.435 3.880 20 30 EHEDMO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597015154 1034512698 /nfs/dbraw/zinc/51/26/98/1034512698.db2.gz WIEWIHSPBQMIDW-DEOSSOPVSA-N 1 1 338.476 3.611 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2CC[C@@H](c3ccccc3C)C2)c1C#N ZINC000534434987 1034538079 /nfs/dbraw/zinc/53/80/79/1034538079.db2.gz WSWOAMQMJICHQL-QGZVFWFLSA-N 1 1 334.419 3.643 20 30 EHEDMO C=CC[C@@H](C)NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000604880328 1034543529 /nfs/dbraw/zinc/54/35/29/1034543529.db2.gz XKDUHJZENPYSPN-PBHICJAKSA-N 1 1 340.389 3.522 20 30 EHEDMO C=CCOc1c(Cl)cc(C[N@H+](C)Cc2ccccn2)cc1OC ZINC000628237892 1034568820 /nfs/dbraw/zinc/56/88/20/1034568820.db2.gz CUFVQMSZCRZGMP-UHFFFAOYSA-N 1 1 332.831 3.940 20 30 EHEDMO C=CCOc1c(Cl)cc(C[N@@H+](C)Cc2ccccn2)cc1OC ZINC000628237892 1034568830 /nfs/dbraw/zinc/56/88/30/1034568830.db2.gz CUFVQMSZCRZGMP-UHFFFAOYSA-N 1 1 332.831 3.940 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000597157029 1034569840 /nfs/dbraw/zinc/56/98/40/1034569840.db2.gz DKRJEAKGBTUVFK-IIBYNOLFSA-N 1 1 336.435 3.919 20 30 EHEDMO COc1ccc(C[N@H+]2CCC[C@H](CCF)C2)cc1OCCCC#N ZINC000597212026 1034597221 /nfs/dbraw/zinc/59/72/21/1034597221.db2.gz QWYXKOIQUJMHLE-MRXNPFEDSA-N 1 1 334.435 3.949 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000179777479 1034600153 /nfs/dbraw/zinc/60/01/53/1034600153.db2.gz ZTPXGYDQTUFHKY-CYBMUJFWSA-N 1 1 337.398 3.897 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CC2(C#N)CCCCC2)C1 ZINC000597236520 1034615859 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CC[C@H]1CN(C(=O)CCCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000588164039 1035734385 /nfs/dbraw/zinc/73/43/85/1035734385.db2.gz DNMXASFFHGZTJJ-IBGZPJMESA-N 1 1 327.472 3.583 20 30 EHEDMO C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000588216160 1035824702 /nfs/dbraw/zinc/82/47/02/1035824702.db2.gz CQPBNXIMFPUXEW-QRQLOZEOSA-N 1 1 344.499 3.639 20 30 EHEDMO C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428774539 1035825634 /nfs/dbraw/zinc/82/56/34/1035825634.db2.gz XCXPKGFPDRVYRO-CXAGYDPISA-N 1 1 327.815 3.821 20 30 EHEDMO C[C@@H](CN1CCCCCC1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000187566204 1035841175 /nfs/dbraw/zinc/84/11/75/1035841175.db2.gz WKBGZTHGQSKACI-SFHVURJKSA-N 1 1 329.488 3.723 20 30 EHEDMO CCOC(=O)[C@@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)Cc2ccccc21 ZINC000442688605 1035892970 /nfs/dbraw/zinc/89/29/70/1035892970.db2.gz PRDBQQSJGXJNHA-FOIQADDNSA-N 1 1 334.419 3.782 20 30 EHEDMO C=CCc1cc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)cc(OC)c1O ZINC000535080381 1036004973 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C[N@H+](Cc1nc(C#N)cs1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000589499294 1036439846 /nfs/dbraw/zinc/43/98/46/1036439846.db2.gz OCPHSGNZOUUWEX-MAUKXSAKSA-N 1 1 327.453 3.614 20 30 EHEDMO C=CCOc1cccc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000175591455 1036448635 /nfs/dbraw/zinc/44/86/35/1036448635.db2.gz GJIXHDMHXISSTL-KRWDZBQOSA-N 1 1 331.460 3.590 20 30 EHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000535407201 1036449566 /nfs/dbraw/zinc/44/95/66/1036449566.db2.gz HEWSQSMVBZDOHX-GOSISDBHSA-N 1 1 342.826 3.874 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192929763 1036566870 /nfs/dbraw/zinc/56/68/70/1036566870.db2.gz FQWQWNMCYKTBPE-RXVVDRJESA-N 1 1 349.478 3.589 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192929763 1036566880 /nfs/dbraw/zinc/56/68/80/1036566880.db2.gz FQWQWNMCYKTBPE-RXVVDRJESA-N 1 1 349.478 3.589 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000192929763 1036566885 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343.446 3.551 20 30 EHEDMO C[C@]1(O)CCCC[C@@H]1[C@H]1CCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000428192502 1036727748 /nfs/dbraw/zinc/72/77/48/1036727748.db2.gz RJPOHWPZFIHLQZ-NRSPTQNISA-N 1 1 337.467 3.717 20 30 EHEDMO CC[N@@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000249761572 1036774298 /nfs/dbraw/zinc/77/42/98/1036774298.db2.gz YAPKCWNVGBBORD-IXDOHACOSA-N 1 1 327.472 3.731 20 30 EHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C1(C#N)CCCCC1 ZINC000057432163 1036876361 /nfs/dbraw/zinc/87/63/61/1036876361.db2.gz SJKXRQPBJTYGAZ-UHFFFAOYSA-N 1 1 327.472 3.617 20 30 EHEDMO C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1cccc(C#N)c1 ZINC000590673189 1037000182 /nfs/dbraw/zinc/00/01/82/1037000182.db2.gz SYFIRFKDWNKDEY-BEFAXECRSA-N 1 1 325.456 3.533 20 30 EHEDMO CC(C)(C#N)c1ccccc1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000178538435 1037059836 /nfs/dbraw/zinc/05/98/36/1037059836.db2.gz WTIVIFXTRMZLGP-UHFFFAOYSA-N 1 1 325.500 3.938 20 30 EHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2ccsc2)CC1 ZINC000186933075 1037131765 /nfs/dbraw/zinc/13/17/65/1037131765.db2.gz KECLGHKVGJDEQL-CQSZACIVSA-N 1 1 339.464 3.826 20 30 EHEDMO Cc1c(Cl)cnc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1C#N ZINC000542207954 1037179857 /nfs/dbraw/zinc/17/98/57/1037179857.db2.gz JVDSESNZAQYSGL-SJORKVTESA-N 1 1 326.831 3.772 20 30 EHEDMO COC[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000539829466 1037256421 /nfs/dbraw/zinc/25/64/21/1037256421.db2.gz YPNZJBQFCONLSQ-GOSISDBHSA-N 1 1 336.435 3.606 20 30 EHEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)COc1ccc(C)cc1C ZINC000057950380 1037272600 /nfs/dbraw/zinc/27/26/00/1037272600.db2.gz AREMMUZETWQTLZ-QGZVFWFLSA-N 1 1 331.481 3.793 20 30 EHEDMO C[N@@H+](CCCCc1ccccc1)CCC(=O)Nc1ccccc1C#N ZINC000053082368 1037375620 /nfs/dbraw/zinc/37/56/20/1037375620.db2.gz RJJRQEUWLJINIP-UHFFFAOYSA-N 1 1 335.451 3.842 20 30 EHEDMO N#Cc1ccc(CNCC2([NH+]3CCSCC3)CCCCC2)c(F)c1 ZINC000532564578 1037655650 /nfs/dbraw/zinc/65/56/50/1037655650.db2.gz GTRIDHDFJJPXOS-UHFFFAOYSA-N 1 1 347.503 3.539 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000493947609 1037740833 /nfs/dbraw/zinc/74/08/33/1037740833.db2.gz BOKWBXJRYKNNPF-INMHGKMJSA-N 1 1 343.471 3.854 20 30 EHEDMO CCCOc1ccc([C@H](C)[NH2+]Cc2ccncc2C#N)cc1OC ZINC000592095734 1037834045 /nfs/dbraw/zinc/83/40/45/1037834045.db2.gz YUSIPVSGVHELNF-AWEZNQCLSA-N 1 1 325.412 3.601 20 30 EHEDMO CCC[N@@H+](Cc1ccncc1C#N)[C@H](C)CC(=O)Nc1ccccc1 ZINC000592121429 1037836081 /nfs/dbraw/zinc/83/60/81/1037836081.db2.gz PEJKOEPCUVALKR-MRXNPFEDSA-N 1 1 336.439 3.583 20 30 EHEDMO CN(C(=O)C[NH2+]C1(c2ccccc2Cl)CC1)C1(C#N)CCCCC1 ZINC000592137851 1037844146 /nfs/dbraw/zinc/84/41/46/1037844146.db2.gz PIONHLPKXHEHMW-UHFFFAOYSA-N 1 1 345.874 3.604 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c(Br)c1 ZINC000592134906 1037844297 /nfs/dbraw/zinc/84/42/97/1037844297.db2.gz SGYAAVOFDQOCDP-RDJZCZTQSA-N 1 1 349.272 3.712 20 30 EHEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCC(C)(C)C ZINC000592145354 1037848822 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C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000478347652 1039387389 /nfs/dbraw/zinc/38/73/89/1039387389.db2.gz XIPBGMDBKNYZQC-OAHLLOKOSA-N 1 1 345.512 3.736 20 30 EHEDMO C=CCc1cc(C[N@@H+]2CCc3cc(F)ccc3C2)cc(OC)c1O ZINC000500757695 1039397037 /nfs/dbraw/zinc/39/70/37/1039397037.db2.gz YFNPPSXIGINYNI-UHFFFAOYSA-N 1 1 327.399 3.827 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCc3cc(F)ccc3C2)cc(OC)c1O ZINC000500757695 1039397049 /nfs/dbraw/zinc/39/70/49/1039397049.db2.gz YFNPPSXIGINYNI-UHFFFAOYSA-N 1 1 327.399 3.827 20 30 EHEDMO C=CCN(C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000488938913 1039485345 /nfs/dbraw/zinc/48/53/45/1039485345.db2.gz VVYZEASRFYMUCQ-KRWDZBQOSA-N 1 1 335.879 3.522 20 30 EHEDMO C=CCN(C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000488938913 1039485346 /nfs/dbraw/zinc/48/53/46/1039485346.db2.gz VVYZEASRFYMUCQ-KRWDZBQOSA-N 1 1 335.879 3.522 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@]2(C#N)CC3CCC2CC3)C1 ZINC000906450887 1039572567 /nfs/dbraw/zinc/57/25/67/1039572567.db2.gz ILRXRTPKKQVTAD-IOKSHNGVSA-N 1 1 343.515 3.570 20 30 EHEDMO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c1C#N ZINC000584713943 1039601072 /nfs/dbraw/zinc/60/10/72/1039601072.db2.gz WRIQCUAXPDETHU-LBPRGKRZSA-N 1 1 340.345 3.509 20 30 EHEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c1C#N ZINC000584713943 1039601078 /nfs/dbraw/zinc/60/10/78/1039601078.db2.gz WRIQCUAXPDETHU-LBPRGKRZSA-N 1 1 340.345 3.509 20 30 EHEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCCC[C@@H]3C)sc2C1 ZINC000553063233 1039745396 /nfs/dbraw/zinc/74/53/96/1039745396.db2.gz HPZFGDNOOMSARA-KBPBESRZSA-N 1 1 345.512 3.948 20 30 EHEDMO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1C#N ZINC000480898986 1040146680 /nfs/dbraw/zinc/14/66/80/1040146680.db2.gz OPUPCKVSTOUZTQ-LJQANCHMSA-N 1 1 328.843 3.985 20 30 EHEDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cc1C#N ZINC000480898986 1040146690 /nfs/dbraw/zinc/14/66/90/1040146690.db2.gz OPUPCKVSTOUZTQ-LJQANCHMSA-N 1 1 328.843 3.985 20 30 EHEDMO CC[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1nnc2n1CCCCC2 ZINC000573647252 1040185271 /nfs/dbraw/zinc/18/52/71/1040185271.db2.gz JJKVUIWGERREAP-MSOLQXFVSA-N 1 1 335.455 3.604 20 30 EHEDMO C=CCc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc(OC)c1O ZINC000668631000 1040211672 /nfs/dbraw/zinc/21/16/72/1040211672.db2.gz MUGBWTDYSXADES-RTBURBONSA-N 1 1 345.483 3.910 20 30 EHEDMO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@@H](O)C(C)C ZINC000432943429 1040225429 /nfs/dbraw/zinc/22/54/29/1040225429.db2.gz HSUUXKVWUBQPCC-OAHLLOKOSA-N 1 1 330.241 3.593 20 30 EHEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)C(C)C ZINC000432943429 1040225442 /nfs/dbraw/zinc/22/54/42/1040225442.db2.gz HSUUXKVWUBQPCC-OAHLLOKOSA-N 1 1 330.241 3.593 20 30 EHEDMO C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000479466714 1040288452 /nfs/dbraw/zinc/28/84/52/1040288452.db2.gz SELLKUZPVFUBOK-AEFFLSMTSA-N 1 1 337.442 3.870 20 30 EHEDMO C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000479466714 1040288471 /nfs/dbraw/zinc/28/84/71/1040288471.db2.gz SELLKUZPVFUBOK-AEFFLSMTSA-N 1 1 337.442 3.870 20 30 EHEDMO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000479466714 1040288488 /nfs/dbraw/zinc/28/84/88/1040288488.db2.gz SELLKUZPVFUBOK-AEFFLSMTSA-N 1 1 337.442 3.870 20 30 EHEDMO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000555222601 1040295454 /nfs/dbraw/zinc/29/54/54/1040295454.db2.gz RMDLIRYJYKKYLD-KRWDZBQOSA-N 1 1 347.551 3.924 20 30 EHEDMO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CC(=O)Nc3cccc(C#N)c3)C2)cc1 ZINC000490077379 1040338665 /nfs/dbraw/zinc/33/86/65/1040338665.db2.gz DLFDEQPWZQHHCI-VQIMIIECSA-N 1 1 333.435 3.683 20 30 EHEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@H](CC)CN1C(C)=O ZINC000614168907 1040340528 /nfs/dbraw/zinc/34/05/28/1040340528.db2.gz GAWDGJNVLDAUBC-WOJBJXKFSA-N 1 1 341.499 3.709 20 30 EHEDMO Fc1cc2nc(N=NC3CC[N@@H+](Cc4ccccc4)C3)[nH]c2cc1F ZINC000912822736 1040346029 /nfs/dbraw/zinc/34/60/29/1040346029.db2.gz LEYAAFPHSRTOFH-UHFFFAOYSA-N 1 1 341.365 3.515 20 30 EHEDMO C=C(C)[C@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)c1ccc(F)c(F)c1 ZINC000512649066 1040392780 /nfs/dbraw/zinc/39/27/80/1040392780.db2.gz SZKJLZKVSGROHR-IBGZPJMESA-N 1 1 344.361 3.703 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(F)cc1C#N ZINC000481171565 1040423559 /nfs/dbraw/zinc/42/35/59/1040423559.db2.gz HQWDLKDPYVOROL-IERDGZPVSA-N 1 1 337.442 3.698 20 30 EHEDMO CCc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)o1 ZINC000150727110 1040478142 /nfs/dbraw/zinc/47/81/42/1040478142.db2.gz IVJDSRZVWXRUMW-XLIONFOSSA-N 1 1 343.471 3.568 20 30 EHEDMO CCc1ccc([C@H]2CCCCC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)o1 ZINC000150727110 1040478151 /nfs/dbraw/zinc/47/81/51/1040478151.db2.gz IVJDSRZVWXRUMW-XLIONFOSSA-N 1 1 343.471 3.568 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2snc(Cl)c2C#N)C1 ZINC000092654413 1040529233 /nfs/dbraw/zinc/52/92/33/1040529233.db2.gz VEQXVUBJTFUUKI-OLZOCXBDSA-N 1 1 338.908 3.759 20 30 EHEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000047146330 1040530570 /nfs/dbraw/zinc/53/05/70/1040530570.db2.gz PJDXCNHAXOFGHL-QGZVFWFLSA-N 1 1 347.462 3.687 20 30 EHEDMO CCc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)cc1 ZINC000433064837 1040618594 /nfs/dbraw/zinc/61/85/94/1040618594.db2.gz ZLKDITJKNCNLAC-LJQANCHMSA-N 1 1 333.435 3.549 20 30 EHEDMO COCCCC[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000418129577 1040621361 /nfs/dbraw/zinc/62/13/61/1040621361.db2.gz DLUMAKTXCUZEIP-UHFFFAOYSA-N 1 1 338.451 3.996 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCc2ccccc21 ZINC000029485776 1040640742 /nfs/dbraw/zinc/64/07/42/1040640742.db2.gz MYVULMVMXPZECJ-MRXNPFEDSA-N 1 1 325.437 3.568 20 30 EHEDMO N#CC1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CCC1 ZINC000418144347 1040643068 /nfs/dbraw/zinc/64/30/68/1040643068.db2.gz SXIKNIGHSHZIQM-UHFFFAOYSA-N 1 1 343.434 3.718 20 30 EHEDMO C=CCCCCCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000533950114 1040679082 /nfs/dbraw/zinc/67/90/82/1040679082.db2.gz NIVNSGNXMQASRR-RBUKOAKNSA-N 1 1 329.488 3.820 20 30 EHEDMO C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000533950112 1040680389 /nfs/dbraw/zinc/68/03/89/1040680389.db2.gz NIVNSGNXMQASRR-MOPGFXCFSA-N 1 1 329.488 3.820 20 30 EHEDMO C#CC[N@@H+](Cc1cnn(CC(F)(F)F)c1)[C@@H]1CCc2ccccc21 ZINC000490851259 1040765584 /nfs/dbraw/zinc/76/55/84/1040765584.db2.gz GAYWLCRILRHHTB-QGZVFWFLSA-N 1 1 333.357 3.568 20 30 EHEDMO C#CC[N@H+](Cc1cnn(CC(F)(F)F)c1)[C@@H]1CCc2ccccc21 ZINC000490851259 1040765601 /nfs/dbraw/zinc/76/56/01/1040765601.db2.gz GAYWLCRILRHHTB-QGZVFWFLSA-N 1 1 333.357 3.568 20 30 EHEDMO N#CCC[NH2+]C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000411390946 1040812583 /nfs/dbraw/zinc/81/25/83/1040812583.db2.gz YEUSSKGIONTSGT-UHFFFAOYSA-N 1 1 336.435 3.775 20 30 EHEDMO CCN(CC)c1ncc(C[N@@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000600213386 1040832043 /nfs/dbraw/zinc/83/20/43/1040832043.db2.gz DIMWOQLRSYBFKS-UHFFFAOYSA-N 1 1 340.496 3.614 20 30 EHEDMO CCN(CC)c1ncc(C[N@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000600213386 1040832057 /nfs/dbraw/zinc/83/20/57/1040832057.db2.gz DIMWOQLRSYBFKS-UHFFFAOYSA-N 1 1 340.496 3.614 20 30 EHEDMO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccc(Br)cc1 ZINC000042268125 1040963030 /nfs/dbraw/zinc/96/30/30/1040963030.db2.gz LEFUEIBMMOSIAF-UHFFFAOYSA-N 1 1 345.240 3.832 20 30 EHEDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000600312459 1040997696 /nfs/dbraw/zinc/99/76/96/1040997696.db2.gz SPXJPQVTEHSLMS-KRWDZBQOSA-N 1 1 347.462 3.687 20 30 EHEDMO C=CC[C@@H]1[N@H+](Cc2nn(C)cc2Br)CCCC1(C)C ZINC000433203727 1041060246 /nfs/dbraw/zinc/06/02/46/1041060246.db2.gz CRCZYBLFABLGCM-AWEZNQCLSA-N 1 1 326.282 3.749 20 30 EHEDMO C=CC[C@@H]1[N@@H+](Cc2nn(C)cc2Br)CCCC1(C)C ZINC000433203727 1041060264 /nfs/dbraw/zinc/06/02/64/1041060264.db2.gz CRCZYBLFABLGCM-AWEZNQCLSA-N 1 1 326.282 3.749 20 30 EHEDMO C=CCC(C)(C)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000429894773 1041133786 /nfs/dbraw/zinc/13/37/86/1041133786.db2.gz YXGMBYDLAQIPFE-IAGOWNOFSA-N 1 1 344.499 3.514 20 30 EHEDMO N#Cc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000570927050 1041136234 /nfs/dbraw/zinc/13/62/34/1041136234.db2.gz NWPYWXYJQNJCQH-NRFANRHFSA-N 1 1 331.463 3.845 20 30 EHEDMO N#Cc1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000570927050 1041136239 /nfs/dbraw/zinc/13/62/39/1041136239.db2.gz NWPYWXYJQNJCQH-NRFANRHFSA-N 1 1 331.463 3.845 20 30 EHEDMO CC[C@H](C[N@@H+](CC)[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000481682970 1041230275 /nfs/dbraw/zinc/23/02/75/1041230275.db2.gz BVIDWHDNDNRQTA-YLJYHZDGSA-N 1 1 335.451 3.600 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433311547 1041269910 /nfs/dbraw/zinc/26/99/10/1041269910.db2.gz HXLMXUFNYGGNOM-ALKREAHSSA-N 1 1 347.890 3.572 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433311547 1041269924 /nfs/dbraw/zinc/26/99/24/1041269924.db2.gz HXLMXUFNYGGNOM-ALKREAHSSA-N 1 1 347.890 3.572 20 30 EHEDMO N#Cc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1F ZINC000511765211 1041585934 /nfs/dbraw/zinc/58/59/34/1041585934.db2.gz NWHRBKNGFGWGSY-HSALFYBXSA-N 1 1 336.410 3.702 20 30 EHEDMO C=CC[C@H](C)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000660681962 1041772059 /nfs/dbraw/zinc/77/20/59/1041772059.db2.gz YYMKPBWWLBCRSE-HKUYNNGSSA-N 1 1 341.499 3.553 20 30 EHEDMO C=CC[C@H](C)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000660681965 1041772386 /nfs/dbraw/zinc/77/23/86/1041772386.db2.gz YYMKPBWWLBCRSE-PKOBYXMFSA-N 1 1 341.499 3.553 20 30 EHEDMO COC[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1cccc(OC)c1 ZINC000661480252 1042141354 /nfs/dbraw/zinc/14/13/54/1042141354.db2.gz SCSZMSLFFOUWDY-IBGZPJMESA-N 1 1 329.827 3.677 20 30 EHEDMO COC[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1cccc(OC)c1 ZINC000661473653 1042142233 /nfs/dbraw/zinc/14/22/33/1042142233.db2.gz QDAXGZDWULIEOT-IBGZPJMESA-N 1 1 329.827 3.677 20 30 EHEDMO C=CC[N@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)C(C)(C)C ZINC000661757026 1042309928 /nfs/dbraw/zinc/30/99/28/1042309928.db2.gz BSIMLECLCAYAKG-UHFFFAOYSA-N 1 1 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30 EHEDMO COc1cc(-c2ccccc2)ccc1C[NH2+]Cc1ccc(C#N)cn1 ZINC000780556998 1123557389 /nfs/dbraw/zinc/55/73/89/1123557389.db2.gz REXUKXFHDSAWQJ-UHFFFAOYSA-N 1 1 329.403 3.919 20 30 EHEDMO COC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)cc1 ZINC000135120742 1123584757 /nfs/dbraw/zinc/58/47/57/1123584757.db2.gz VWMLCNWFBOQANX-UHFFFAOYSA-N 1 1 336.435 3.906 20 30 EHEDMO CC(C)[N@H+]1CC[C@H](CNc2c(C#N)cnc3c(F)cc(F)cc32)C1 ZINC000609570870 1123611305 /nfs/dbraw/zinc/61/13/05/1123611305.db2.gz IAKZZKXGUGUPNC-GFCCVEGCSA-N 1 1 330.382 3.527 20 30 EHEDMO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)cc1C ZINC000064517731 1123652052 /nfs/dbraw/zinc/65/20/52/1123652052.db2.gz WJTCOFUYXOTOOS-IBGZPJMESA-N 1 1 339.483 3.783 20 30 EHEDMO CC(=O)c1cc(F)cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1O ZINC000175605150 1123726402 /nfs/dbraw/zinc/72/64/02/1123726402.db2.gz AREULVICVGPWLW-UHFFFAOYSA-N 1 1 338.382 3.770 20 30 EHEDMO CC(=O)c1cc(F)cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1O ZINC000175605150 1123726405 /nfs/dbraw/zinc/72/64/05/1123726405.db2.gz AREULVICVGPWLW-UHFFFAOYSA-N 1 1 338.382 3.770 20 30 EHEDMO C[C@@H](CNCc1cccc(OCCCC#N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000237564249 1123770333 /nfs/dbraw/zinc/77/03/33/1123770333.db2.gz YCPYSPHFUVXICS-MSOLQXFVSA-N 1 1 329.488 3.579 20 30 EHEDMO C[C@@H](CNCc1cccc(OCCCC#N)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000237564249 1123770337 /nfs/dbraw/zinc/77/03/37/1123770337.db2.gz YCPYSPHFUVXICS-MSOLQXFVSA-N 1 1 329.488 3.579 20 30 EHEDMO C[C@@H](C#N)Oc1ccc(CNCCC[N@@H+](C)C2CCCCC2)cc1 ZINC000237695482 1123819655 /nfs/dbraw/zinc/81/96/55/1123819655.db2.gz FAXQASQGRKPIIW-KRWDZBQOSA-N 1 1 329.488 3.722 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000245447990 1123830612 /nfs/dbraw/zinc/83/06/12/1123830612.db2.gz MMOQPRRANYYBHF-ARFHVFGLSA-N 1 1 345.512 3.997 20 30 EHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)CC[C@H]1C ZINC000245447990 1123830616 /nfs/dbraw/zinc/83/06/16/1123830616.db2.gz MMOQPRRANYYBHF-ARFHVFGLSA-N 1 1 345.512 3.997 20 30 EHEDMO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000245468424 1123842704 /nfs/dbraw/zinc/84/27/04/1123842704.db2.gz KSOJDXSTHRFENE-IQUTYRLHSA-N 1 1 347.890 3.572 20 30 EHEDMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)c1cc(F)ccc1F ZINC000179782539 1123854910 /nfs/dbraw/zinc/85/49/10/1123854910.db2.gz QRBHNJIQVHBCGR-XIKOKIGWSA-N 1 1 343.377 3.904 20 30 EHEDMO C#CCOc1ccccc1C[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC000763471417 1123925742 /nfs/dbraw/zinc/92/57/42/1123925742.db2.gz ACLINQWRSZJALD-UHFFFAOYSA-N 1 1 339.826 3.529 20 30 EHEDMO Cn1cc([C@H]2CSCC[N@@H+]2Cc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000616860525 1124048428 /nfs/dbraw/zinc/04/84/28/1124048428.db2.gz CWDIRWHZZQDKDJ-GOSISDBHSA-N 1 1 340.496 3.511 20 30 EHEDMO Cn1cc([C@H]2CSCC[N@H+]2Cc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000616860525 1124048432 /nfs/dbraw/zinc/04/84/32/1124048432.db2.gz CWDIRWHZZQDKDJ-GOSISDBHSA-N 1 1 340.496 3.511 20 30 EHEDMO C=CC[C@H](NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)c1ccncc1 ZINC000734661832 1131265961 /nfs/dbraw/zinc/26/59/61/1131265961.db2.gz RQVJTFUTSFSYLW-WMZOPIPTSA-N 1 1 344.503 3.509 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000763493238 1124735108 /nfs/dbraw/zinc/73/51/08/1124735108.db2.gz SFSIHQVCFLXXIO-SIKLNZKXSA-N 1 1 345.446 3.953 20 30 EHEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000090002199 1124885050 /nfs/dbraw/zinc/88/50/50/1124885050.db2.gz NJZJFLIPMVPFEX-MSOLQXFVSA-N 1 1 332.875 3.970 20 30 EHEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000090002199 1124885056 /nfs/dbraw/zinc/88/50/56/1124885056.db2.gz NJZJFLIPMVPFEX-MSOLQXFVSA-N 1 1 332.875 3.970 20 30 EHEDMO C#CCOc1ccc(C[NH2+]CC(C)(C)N[C@H](C)c2ccccc2)cc1 ZINC000733900820 1124952432 /nfs/dbraw/zinc/95/24/32/1124952432.db2.gz KRTBPTBCNUSUGX-GOSISDBHSA-N 1 1 336.479 3.918 20 30 EHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000153438001 1125117980 /nfs/dbraw/zinc/11/79/80/1125117980.db2.gz YWXGBKRWMUDKQG-UHFFFAOYSA-N 1 1 349.438 3.706 20 30 EHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000153438001 1125117988 /nfs/dbraw/zinc/11/79/88/1125117988.db2.gz YWXGBKRWMUDKQG-UHFFFAOYSA-N 1 1 349.438 3.706 20 30 EHEDMO CC(C)[C@H]1CCCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000735311465 1131334820 /nfs/dbraw/zinc/33/48/20/1131334820.db2.gz KXARZLKTIAOWKE-SJLPKXTDSA-N 1 1 348.450 3.734 20 30 EHEDMO N#Cc1ccc(C[NH+]2CCC(c3ncco3)CC2)c(Br)c1 ZINC000826775971 1131342722 /nfs/dbraw/zinc/34/27/22/1131342722.db2.gz GISQZHTXNWEPHY-UHFFFAOYSA-N 1 1 346.228 3.688 20 30 EHEDMO CC[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1c(C)noc1C ZINC000182504064 1125322240 /nfs/dbraw/zinc/32/22/40/1125322240.db2.gz IKYJWPQPHTWGFV-CQSZACIVSA-N 1 1 346.456 3.521 20 30 EHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cn1cnc(-c2ccccc2)n1 ZINC000735483800 1131349218 /nfs/dbraw/zinc/34/92/18/1131349218.db2.gz BQJXAQXUPHCANJ-UHFFFAOYSA-N 1 1 345.450 3.932 20 30 EHEDMO CC(=NN[C@@H](C)c1ccccc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735613737 1131363693 /nfs/dbraw/zinc/36/36/93/1131363693.db2.gz IEVZEIBMOGNSPL-UWJYYQICSA-N 1 1 337.467 3.614 20 30 EHEDMO CC(=NN[C@@H](C)c1ccccc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735613737 1131363698 /nfs/dbraw/zinc/36/36/98/1131363698.db2.gz IEVZEIBMOGNSPL-UWJYYQICSA-N 1 1 337.467 3.614 20 30 EHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000265837857 1129335340 /nfs/dbraw/zinc/33/53/40/1129335340.db2.gz MSXQWQSIRRECOU-HNNXBMFYSA-N 1 1 332.407 3.844 20 30 EHEDMO N#Cc1ccc(C[N@@H+](CCCOc2cccc(C#N)c2)C2CC2)cc1 ZINC000543253774 1129376533 /nfs/dbraw/zinc/37/65/33/1129376533.db2.gz NDCAELYCKFLYTN-UHFFFAOYSA-N 1 1 331.419 3.863 20 30 EHEDMO CCCCCC[N@@H+](C)CC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000735655244 1131370156 /nfs/dbraw/zinc/37/01/56/1131370156.db2.gz CPKDHNGLYHHNBU-UHFFFAOYSA-N 1 1 329.488 3.807 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000735670894 1131372145 /nfs/dbraw/zinc/37/21/45/1131372145.db2.gz ZECZGPCASTWMGC-CRAIPNDOSA-N 1 1 343.471 3.951 20 30 EHEDMO COc1ccccc1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000069085480 1129421874 /nfs/dbraw/zinc/42/18/74/1129421874.db2.gz MVVCOOROWSWXJA-LJQANCHMSA-N 1 1 349.434 3.733 20 30 EHEDMO COC(=O)CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000117336354 1129434494 /nfs/dbraw/zinc/43/44/94/1129434494.db2.gz WCFMKAWLPITUMB-UHFFFAOYSA-N 1 1 340.398 3.653 20 30 EHEDMO COc1cccc([C@H](C)[NH+]2CCN(Cc3cc(C#N)cs3)CC2)c1 ZINC000093078783 1129575551 /nfs/dbraw/zinc/57/55/51/1129575551.db2.gz VPIYITLBIDZAJN-HNNXBMFYSA-N 1 1 341.480 3.507 20 30 EHEDMO C[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1C(F)(F)F ZINC000125445686 1129692838 /nfs/dbraw/zinc/69/28/38/1129692838.db2.gz MSLJJJAWUNQIEZ-UHFFFAOYSA-N 1 1 344.340 3.857 20 30 EHEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1C(F)(F)F ZINC000125445686 1129692839 /nfs/dbraw/zinc/69/28/39/1129692839.db2.gz MSLJJJAWUNQIEZ-UHFFFAOYSA-N 1 1 344.340 3.857 20 30 EHEDMO C[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000392106957 1129702052 /nfs/dbraw/zinc/70/20/52/1129702052.db2.gz RLCXLKGOGPLWDO-GOEBONIOSA-N 1 1 344.842 3.644 20 30 EHEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(Cc2ccccc2C(C)(C)C#N)C[C@@H](C)C1 ZINC000429041501 1129716488 /nfs/dbraw/zinc/71/64/88/1129716488.db2.gz PMWJQVBXTSRYQQ-MBOZVWFJSA-N 1 1 325.500 3.650 20 30 EHEDMO C[C@@H]1C[C@H]1N1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H](C)C1 ZINC000429041501 1129716489 /nfs/dbraw/zinc/71/64/89/1129716489.db2.gz PMWJQVBXTSRYQQ-MBOZVWFJSA-N 1 1 325.500 3.650 20 30 EHEDMO C[C@@H]1C[C@H]1N1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H](C)C1 ZINC000429041501 1129716492 /nfs/dbraw/zinc/71/64/92/1129716492.db2.gz PMWJQVBXTSRYQQ-MBOZVWFJSA-N 1 1 325.500 3.650 20 30 EHEDMO COc1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)ccc1C#N ZINC000392574839 1129717877 /nfs/dbraw/zinc/71/78/77/1129717877.db2.gz PYJVYUYBIYBQAQ-UHFFFAOYSA-N 1 1 341.842 3.542 20 30 EHEDMO CCCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000555774100 1129736780 /nfs/dbraw/zinc/73/67/80/1129736780.db2.gz QFQIHADFVRLVGL-UHFFFAOYSA-N 1 1 348.512 3.767 20 30 EHEDMO C[C@H]([NH2+]CC1CCC(C#N)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000282419612 1129769278 /nfs/dbraw/zinc/76/92/78/1129769278.db2.gz SNYWGCDOGRVJFI-LANMQJKKSA-N 1 1 325.500 3.817 20 30 EHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@]4(CC=CCC4)C3)o2)cc1 ZINC000173751323 1130300499 /nfs/dbraw/zinc/30/04/99/1130300499.db2.gz MBMXDBKMAUGDDC-FQEVSTJZSA-N 1 1 334.423 3.931 20 30 EHEDMO CN(Cc1cc(C#N)ccc1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174399170 1130356112 /nfs/dbraw/zinc/35/61/12/1130356112.db2.gz BMIGDDNTEMPBPK-IBGZPJMESA-N 1 1 337.442 3.651 20 30 EHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000246827695 1130416278 /nfs/dbraw/zinc/41/62/78/1130416278.db2.gz DRNAMNRLFIQMFD-YADHBBJMSA-N 1 1 348.446 3.605 20 30 EHEDMO C#CCOc1cccc(OC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000730499664 1130717029 /nfs/dbraw/zinc/71/70/29/1130717029.db2.gz DORDCELRKZVKJQ-LJQANCHMSA-N 1 1 349.430 3.516 20 30 EHEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000731891660 1130855101 /nfs/dbraw/zinc/85/51/01/1130855101.db2.gz CEQIABRYRAIOSY-LZJOCLMNSA-N 1 1 336.435 3.788 20 30 EHEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCOc1ccc(C#N)cc1 ZINC000731891660 1130855108 /nfs/dbraw/zinc/85/51/08/1130855108.db2.gz CEQIABRYRAIOSY-LZJOCLMNSA-N 1 1 336.435 3.788 20 30 EHEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCOc1cccc(C#N)c1 ZINC000731892052 1130855289 /nfs/dbraw/zinc/85/52/89/1130855289.db2.gz DIYDIUNVIPCGNH-CBGDNZLLSA-N 1 1 336.435 3.788 20 30 EHEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCOc1cccc(C#N)c1 ZINC000731892052 1130855290 /nfs/dbraw/zinc/85/52/90/1130855290.db2.gz DIYDIUNVIPCGNH-CBGDNZLLSA-N 1 1 336.435 3.788 20 30 EHEDMO CC[NH+](CC)[C@@H](C(=O)OCc1cc(C#N)ccc1F)c1ccccc1 ZINC000731907446 1130860698 /nfs/dbraw/zinc/86/06/98/1130860698.db2.gz GBUADKUSTBJZIM-LJQANCHMSA-N 1 1 340.398 3.824 20 30 EHEDMO CCCCCC[N@@H+](C)CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000732268654 1130907856 /nfs/dbraw/zinc/90/78/56/1130907856.db2.gz LQGFLESLAUGQPI-UHFFFAOYSA-N 1 1 327.472 3.561 20 30 EHEDMO C=C(Cl)CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000736398759 1131419357 /nfs/dbraw/zinc/41/93/57/1131419357.db2.gz FIZXXLOXEIDQLZ-HNNXBMFYSA-N 1 1 335.879 3.613 20 30 EHEDMO C#CC[N@@H+](Cc1ccc(Br)cn1)[C@@H]1CCc2ccccc21 ZINC000738306206 1131467368 /nfs/dbraw/zinc/46/73/68/1131467368.db2.gz SWPBGUHNAJBSRS-GOSISDBHSA-N 1 1 341.252 3.967 20 30 EHEDMO C#CC[N@H+](Cc1ccc(Br)cn1)[C@@H]1CCc2ccccc21 ZINC000738306206 1131467372 /nfs/dbraw/zinc/46/73/72/1131467372.db2.gz SWPBGUHNAJBSRS-GOSISDBHSA-N 1 1 341.252 3.967 20 30 EHEDMO CCCC[C@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C#N)CCC1 ZINC001273378702 1131568147 /nfs/dbraw/zinc/56/81/47/1131568147.db2.gz KVMXRSAFEKWYCX-OKZBNKHCSA-N 1 1 331.504 3.572 20 30 EHEDMO C[N@H+]1CCC[C@H](C/N=C\c2cccc(O)c2O)[C@H]1c1cccs1 ZINC000741465345 1131605785 /nfs/dbraw/zinc/60/57/85/1131605785.db2.gz UORIBBLWGFRMJC-NBWJQGPOSA-N 1 1 330.453 3.661 20 30 EHEDMO Cc1nc(Cl)cc(N=NC2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000741763955 1131642430 /nfs/dbraw/zinc/64/24/30/1131642430.db2.gz LYIMAZVMJHJYHM-CYBMUJFWSA-N 1 1 343.862 3.748 20 30 EHEDMO CC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)[C@H](C)C(C)C ZINC000741788505 1131648141 /nfs/dbraw/zinc/64/81/41/1131648141.db2.gz VQCCKHYXILFLHL-KGLIPLIRSA-N 1 1 329.469 3.839 20 30 EHEDMO CC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)[C@H](C)C(C)C ZINC000741788505 1131648144 /nfs/dbraw/zinc/64/81/44/1131648144.db2.gz VQCCKHYXILFLHL-KGLIPLIRSA-N 1 1 329.469 3.839 20 30 EHEDMO CC[C@@H]1[N@H+]([C@H](C)CCCC#N)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001172495604 1131758401 /nfs/dbraw/zinc/75/84/01/1131758401.db2.gz SAABHOMRQSUNGF-KPFFTGBYSA-N 1 1 331.504 3.714 20 30 EHEDMO Cc1cccc(N2CCC[C@@]3(C2)C[N@@H+]([C@H](C)CCCC#N)CCO3)c1 ZINC001172495666 1131759026 /nfs/dbraw/zinc/75/90/26/1131759026.db2.gz SLHCCUWWFLIGJD-CTNGQTDRSA-N 1 1 341.499 3.749 20 30 EHEDMO Cc1ccc(N2C[C@@]3(CC[N@H+]([C@H](C)CCCC#N)C3)CC2=O)s1 ZINC001172498006 1131760269 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EHEDMO CCCCCCCC[N@H+]1CCc2c(nnn2CC2CC2)[C@@H]1COC ZINC001201804960 1136064404 /nfs/dbraw/zinc/06/44/04/1136064404.db2.gz WOASTNXJXFVHQM-SFHVURJKSA-N 1 1 334.508 3.594 20 30 EHEDMO CCCCCCC[N@@H+]1CC[C@@H]2CN(Cc3ccncc3)CCO[C@@H]2C1 ZINC001201776738 1136065806 /nfs/dbraw/zinc/06/58/06/1136065806.db2.gz JQUZWEBDYQZRRA-NHCUHLMSSA-N 1 1 345.531 3.575 20 30 EHEDMO CCCCCCC[N@H+]1CC[C@@H]2CN(Cc3ccncc3)CCO[C@@H]2C1 ZINC001201776738 1136065810 /nfs/dbraw/zinc/06/58/10/1136065810.db2.gz JQUZWEBDYQZRRA-NHCUHLMSSA-N 1 1 345.531 3.575 20 30 EHEDMO CCCCCCC[N@H+]1CCc2onc(COc3cccnc3)c2C1 ZINC001201776539 1136065897 /nfs/dbraw/zinc/06/58/97/1136065897.db2.gz FFUAESVZQUUGJA-UHFFFAOYSA-N 1 1 329.444 3.977 20 30 EHEDMO CCCCCCC[N@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001201787439 1136066048 /nfs/dbraw/zinc/06/60/48/1136066048.db2.gz BVUFWNKQMQTFJT-UHFFFAOYSA-N 1 1 344.425 3.978 20 30 EHEDMO N#Cc1csc(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CCCC2)c1 ZINC000811510392 1136102493 /nfs/dbraw/zinc/10/24/93/1136102493.db2.gz DVOTXOUSBPZMPG-MRXNPFEDSA-N 1 1 347.484 3.643 20 30 EHEDMO N#Cc1csc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CCCC2)c1 ZINC000811510392 1136102494 /nfs/dbraw/zinc/10/24/94/1136102494.db2.gz DVOTXOUSBPZMPG-MRXNPFEDSA-N 1 1 347.484 3.643 20 30 EHEDMO C[C@@H]1C(N=Nc2cc(C#N)cc(Cl)n2)CC[N@H+]1Cc1ccccc1 ZINC000811646116 1136116313 /nfs/dbraw/zinc/11/63/13/1136116313.db2.gz LGHSKIVXSHAGRW-CYBMUJFWSA-N 1 1 339.830 3.669 20 30 EHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c1O ZINC000811780557 1136135090 /nfs/dbraw/zinc/13/50/90/1136135090.db2.gz OMZUWLQOAQBIRU-ZDUSSCGKSA-N 1 1 325.399 3.997 20 30 EHEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C2)C1 ZINC001170742145 1136441402 /nfs/dbraw/zinc/44/14/02/1136441402.db2.gz YTLQAUBJOAYPJF-PDOICOKGSA-N 1 1 332.488 3.532 20 30 EHEDMO C=CCC(C)(C)CNC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000814390618 1136446350 /nfs/dbraw/zinc/44/63/50/1136446350.db2.gz ZVLAKHBKWHFKOX-NRFANRHFSA-N 1 1 343.515 3.800 20 30 EHEDMO C=C(Br)C[NH+]1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC000852487299 1136459795 /nfs/dbraw/zinc/45/97/95/1136459795.db2.gz PAPFFEFICDIBSB-UHFFFAOYSA-N 1 1 332.282 3.729 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000852685678 1136477770 /nfs/dbraw/zinc/47/77/70/1136477770.db2.gz IDKNIAHTPRKOIR-KDURUIRLSA-N 1 1 337.467 3.733 20 30 EHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000853588196 1136546649 /nfs/dbraw/zinc/54/66/49/1136546649.db2.gz CRHNSASTLDXBCK-LJQANCHMSA-N 1 1 335.455 3.595 20 30 EHEDMO C[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000815448266 1136596530 /nfs/dbraw/zinc/59/65/30/1136596530.db2.gz JMEAPMMLTQJEAI-BEFAXECRSA-N 1 1 326.440 3.960 20 30 EHEDMO C[C@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1ccc(C#N)c(F)c1 ZINC000776746056 1136622385 /nfs/dbraw/zinc/62/23/85/1136622385.db2.gz JCNCXKMHAUSINR-NSHDSACASA-N 1 1 326.350 3.574 20 30 EHEDMO C#CC[N@@H+](C)CCCN[C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000815652425 1136626533 /nfs/dbraw/zinc/62/65/33/1136626533.db2.gz BXLACXIUSDTGBP-INIZCTEOSA-N 1 1 341.524 3.648 20 30 EHEDMO C#CC[N@H+](C)CCCN[C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000815652425 1136626536 /nfs/dbraw/zinc/62/65/36/1136626536.db2.gz BXLACXIUSDTGBP-INIZCTEOSA-N 1 1 341.524 3.648 20 30 EHEDMO C#CC[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccc(F)cc1 ZINC000112631153 1136642811 /nfs/dbraw/zinc/64/28/11/1136642811.db2.gz HKNPCWPYJCMEJA-UHFFFAOYSA-N 1 1 335.382 3.554 20 30 EHEDMO C=CCC(F)(F)C(=O)OC[C@@]1(F)CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000816018558 1136663967 /nfs/dbraw/zinc/66/39/67/1136663967.db2.gz IOLYITBYUQJXAG-RHSMWYFYSA-N 1 1 341.373 3.916 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000776798598 1136671686 /nfs/dbraw/zinc/67/16/86/1136671686.db2.gz KZAOWDKNIPDNQX-QAPCUYQASA-N 1 1 343.471 3.744 20 30 EHEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000776798173 1136675314 /nfs/dbraw/zinc/67/53/14/1136675314.db2.gz HIAZMFVGCNQFFN-DOTOQJQBSA-N 1 1 343.471 3.602 20 30 EHEDMO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cccc(F)c2F)ccc1OC ZINC000113348118 1136697233 /nfs/dbraw/zinc/69/72/33/1136697233.db2.gz VUWYKGDQVRSNBV-HNNXBMFYSA-N 1 1 346.377 3.944 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)c1cccc(C#N)c1 ZINC000816453133 1136722472 /nfs/dbraw/zinc/72/24/72/1136722472.db2.gz KMZMYGVUNXPXND-UZLBHIALSA-N 1 1 334.419 3.626 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000113961660 1136762279 /nfs/dbraw/zinc/76/22/79/1136762279.db2.gz QFTVFFXFUMEYBD-CQSZACIVSA-N 1 1 331.397 3.627 20 30 EHEDMO CN(Cc1ccc(C#N)cc1)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000856885993 1136820948 /nfs/dbraw/zinc/82/09/48/1136820948.db2.gz HYZNAELQYVESFD-OAQYLSRUSA-N 1 1 347.462 3.640 20 30 EHEDMO CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000817919867 1136846325 /nfs/dbraw/zinc/84/63/25/1136846325.db2.gz WBIPNMKUMRJQOJ-AYWYSENESA-N 1 1 341.499 3.768 20 30 EHEDMO C[N@H+]1CCC[C@@H](c2cccc(C(=O)N3Cc4ccc(C#N)cc4C3)c2)C1 ZINC000857298900 1136861160 /nfs/dbraw/zinc/86/11/60/1136861160.db2.gz LOXOMMYBHSAGSW-LJQANCHMSA-N 1 1 345.446 3.523 20 30 EHEDMO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2nc(C)cs2)ccc1OC ZINC000858378641 1136962869 /nfs/dbraw/zinc/96/28/69/1136962869.db2.gz QAPSYXGOUHVSRE-DZGCQCFKSA-N 1 1 345.468 3.992 20 30 EHEDMO C#C[C@@H](NC(=O)N1CCC(C[N@H+](C)CCCC)CC1)c1ccccc1 ZINC000820604820 1136999685 /nfs/dbraw/zinc/99/96/85/1136999685.db2.gz HKIGRPACONUZDG-HXUWFJFHSA-N 1 1 341.499 3.514 20 30 EHEDMO Cc1ccc(C[N@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1C#N ZINC000859296461 1137010878 /nfs/dbraw/zinc/01/08/78/1137010878.db2.gz JWFLXZJKJQDMEB-HXUWFJFHSA-N 1 1 343.471 3.603 20 30 EHEDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000859533303 1137018880 /nfs/dbraw/zinc/01/88/80/1137018880.db2.gz IRSYHGZVRDJLTH-UHFFFAOYSA-N 1 1 345.487 3.834 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000822525843 1137062308 /nfs/dbraw/zinc/06/23/08/1137062308.db2.gz PCEIYQXUPYXZKH-SFHVURJKSA-N 1 1 348.494 3.503 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000822525843 1137062309 /nfs/dbraw/zinc/06/23/09/1137062309.db2.gz PCEIYQXUPYXZKH-SFHVURJKSA-N 1 1 348.494 3.503 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000822525843 1137062310 /nfs/dbraw/zinc/06/23/10/1137062310.db2.gz PCEIYQXUPYXZKH-SFHVURJKSA-N 1 1 348.494 3.503 20 30 EHEDMO CC(C)(c1noc([C@@H]([NH3+])CCCC#N)n1)c1cccc(Cl)c1F ZINC000823094994 1137085146 /nfs/dbraw/zinc/08/51/46/1137085146.db2.gz WSZTURDIXZBZSC-LBPRGKRZSA-N 1 1 336.798 3.882 20 30 EHEDMO C[C@H]1C[C@@H](C[N@@H+](CCC#N)CC2CC2)CCN1C(=O)OC(C)(C)C ZINC000823437871 1137099659 /nfs/dbraw/zinc/09/96/59/1137099659.db2.gz QFOISNMIFNJELT-RDJZCZTQSA-N 1 1 335.492 3.648 20 30 EHEDMO C[N@H+](Cc1ccsc1C(F)(F)F)C[C@H](O)c1cccc(C#N)c1 ZINC000862402135 1137142811 /nfs/dbraw/zinc/14/28/11/1137142811.db2.gz ZTTXXAUWAYLEBH-AWEZNQCLSA-N 1 1 340.370 3.804 20 30 EHEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC2(C1)CCCCC2 ZINC000266043169 1137154313 /nfs/dbraw/zinc/15/43/13/1137154313.db2.gz WVAHDKLMFLCQCN-UHFFFAOYSA-N 1 1 343.496 3.897 20 30 EHEDMO C[C@@H]1[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC[N@H+]1C ZINC000825449929 1137178030 /nfs/dbraw/zinc/17/80/30/1137178030.db2.gz HPAGWKKQYBZQJR-CDHQVMDDSA-N 1 1 333.435 3.621 20 30 EHEDMO CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+]CC(C)(C)C#N)cc2C1 ZINC000825500436 1137179871 /nfs/dbraw/zinc/17/98/71/1137179871.db2.gz BPJXWBBYXLAFJN-UHFFFAOYSA-N 1 1 343.471 3.619 20 30 EHEDMO C[C@@H](C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000844370771 1137213219 /nfs/dbraw/zinc/21/32/19/1137213219.db2.gz JIEYKSVZWVUVJP-LIRRHRJNSA-N 1 1 328.843 3.981 20 30 EHEDMO C[C@@H](CC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)OCc1ccccc1 ZINC000844367362 1137215850 /nfs/dbraw/zinc/21/58/50/1137215850.db2.gz ANPXRQYGRLKORP-LAUBAEHRSA-N 1 1 338.451 3.519 20 30 EHEDMO CC(C)(C)OC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000844424156 1137219912 /nfs/dbraw/zinc/21/99/12/1137219912.db2.gz CHENBBDEXUQFMF-QGZVFWFLSA-N 1 1 344.455 3.675 20 30 EHEDMO N#Cc1cncc(C[N@@H+]2CC[C@@H](c3ccc(Br)cc3)C2)c1 ZINC001144079393 1137237091 /nfs/dbraw/zinc/23/70/91/1137237091.db2.gz MEJSCHGQNZMOCZ-MRXNPFEDSA-N 1 1 342.240 3.705 20 30 EHEDMO CN(C)c1ccc(C#N)cc1CNCc1cccc(C[NH+]2CCCC2)c1 ZINC000865407292 1137280583 /nfs/dbraw/zinc/28/05/83/1137280583.db2.gz CJLYTISQNQUSAJ-UHFFFAOYSA-N 1 1 348.494 3.510 20 30 EHEDMO COc1ccc(Cl)cc1C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865434118 1137283408 /nfs/dbraw/zinc/28/34/08/1137283408.db2.gz XJOULZBSBMEHDI-UHFFFAOYSA-N 1 1 329.831 3.576 20 30 EHEDMO COc1ccnc2cc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)cnc21 ZINC001171186313 1137294198 /nfs/dbraw/zinc/29/41/98/1137294198.db2.gz QCWSDWLMYQZDSR-UHFFFAOYSA-N 1 1 344.374 3.534 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)cc1 ZINC001144578519 1137310741 /nfs/dbraw/zinc/31/07/41/1137310741.db2.gz FSLRTDZGMGJTCR-CRAIPNDOSA-N 1 1 328.456 3.546 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)OCc3ccccc3)C2)cc1 ZINC001144581272 1137310876 /nfs/dbraw/zinc/31/08/76/1137310876.db2.gz OBOVSLGRVPLZKA-NRFANRHFSA-N 1 1 333.431 3.623 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001171203866 1137322339 /nfs/dbraw/zinc/32/23/39/1137322339.db2.gz QGXDRGQXPPTXLC-PGRDOPGGSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001171203866 1137322341 /nfs/dbraw/zinc/32/23/41/1137322341.db2.gz QGXDRGQXPPTXLC-PGRDOPGGSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001171203866 1137322343 /nfs/dbraw/zinc/32/23/43/1137322343.db2.gz QGXDRGQXPPTXLC-PGRDOPGGSA-N 1 1 333.479 3.696 20 30 EHEDMO N#Cc1cccc(O[C@H]2CCCN(Cc3cc(F)c([O-])cc3F)C2)c1 ZINC001144657677 1137323721 /nfs/dbraw/zinc/32/37/21/1137323721.db2.gz DCBBXCOTTIXXRG-INIZCTEOSA-N 1 1 344.361 3.585 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001171204688 1137326085 /nfs/dbraw/zinc/32/60/85/1137326085.db2.gz ZSPBNPDQYVPRFY-YOEHRIQHSA-N 1 1 330.428 3.515 20 30 EHEDMO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1OC ZINC000866266610 1137340803 /nfs/dbraw/zinc/34/08/03/1137340803.db2.gz LRPXTWGIEUOMIO-NWDGAFQWSA-N 1 1 344.386 3.832 20 30 EHEDMO COc1cc2c(cc1OC)C[N@H+]([C@@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171221577 1137346100 /nfs/dbraw/zinc/34/61/00/1137346100.db2.gz PKVUQWUUUCFWED-HNNXBMFYSA-N 1 1 336.435 3.565 20 30 EHEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866337606 1137347156 /nfs/dbraw/zinc/34/71/56/1137347156.db2.gz SRLOSTJJBMYUCU-UWVAXJGDSA-N 1 1 349.478 3.825 20 30 EHEDMO CC(C)c1noc([C@@H]2CCC[N@H+]([C@H](C)Cc3cccc(C#N)c3)C2)n1 ZINC001171222915 1137347751 /nfs/dbraw/zinc/34/77/51/1137347751.db2.gz JKCRJKVBYRMWDI-CRAIPNDOSA-N 1 1 338.455 3.875 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC001171221633 1137347891 /nfs/dbraw/zinc/34/78/91/1137347891.db2.gz RBRJRQOMFBVUGV-IBGZPJMESA-N 1 1 333.479 3.697 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001171221633 1137347892 /nfs/dbraw/zinc/34/78/92/1137347892.db2.gz RBRJRQOMFBVUGV-IBGZPJMESA-N 1 1 333.479 3.697 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001171221633 1137347893 /nfs/dbraw/zinc/34/78/93/1137347893.db2.gz RBRJRQOMFBVUGV-IBGZPJMESA-N 1 1 333.479 3.697 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001171232867 1137356040 /nfs/dbraw/zinc/35/60/40/1137356040.db2.gz XOVODKSJQRUFLF-QGZVFWFLSA-N 1 1 337.442 3.841 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000847036413 1137382292 /nfs/dbraw/zinc/38/22/92/1137382292.db2.gz KRMYTGINLUOKPK-KRWDZBQOSA-N 1 1 334.847 3.776 20 30 EHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000847036413 1137382293 /nfs/dbraw/zinc/38/22/93/1137382293.db2.gz KRMYTGINLUOKPK-KRWDZBQOSA-N 1 1 334.847 3.776 20 30 EHEDMO C#C[C@@H]1CCC[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000847026372 1137383351 /nfs/dbraw/zinc/38/33/51/1137383351.db2.gz YHELBXOMYWPFEI-LLVKDONJSA-N 1 1 336.222 3.889 20 30 EHEDMO C#C[C@@H]1CCC[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000847026372 1137383353 /nfs/dbraw/zinc/38/33/53/1137383353.db2.gz YHELBXOMYWPFEI-LLVKDONJSA-N 1 1 336.222 3.889 20 30 EHEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(CN=Nc2ncccc2F)c1C ZINC000794981560 1137392092 /nfs/dbraw/zinc/39/20/92/1137392092.db2.gz XGUDAVPVRYHZQG-QGZVFWFLSA-N 1 1 343.450 3.569 20 30 EHEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000773003469 1137458363 /nfs/dbraw/zinc/45/83/63/1137458363.db2.gz DGWQJOKUAKUFRL-ZDUSSCGKSA-N 1 1 327.877 3.806 20 30 EHEDMO CC(C)c1nccnc1N=NC(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000773085131 1137464446 /nfs/dbraw/zinc/46/44/46/1137464446.db2.gz FJNRGPHYLOKZGK-SFHVURJKSA-N 1 1 337.471 3.910 20 30 EHEDMO C[C@]1(Cc2cccc(F)c2)CCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001171435725 1137482630 /nfs/dbraw/zinc/48/26/30/1137482630.db2.gz NNFDRBXVMVNFIT-LEWJYISDSA-N 1 1 338.426 3.828 20 30 EHEDMO C#CCCCCC(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000773279071 1137485054 /nfs/dbraw/zinc/48/50/54/1137485054.db2.gz RCWZCGUVSDAQSF-UYAOXDASSA-N 1 1 326.484 3.864 20 30 EHEDMO N#Cc1cccc(CN[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c1 ZINC000716731497 1137488524 /nfs/dbraw/zinc/48/85/24/1137488524.db2.gz KGIQSOFWFOFJMK-FKBYEOEOSA-N 1 1 331.463 3.701 20 30 EHEDMO N#Cc1cccc(CN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000716731497 1137488526 /nfs/dbraw/zinc/48/85/26/1137488526.db2.gz KGIQSOFWFOFJMK-FKBYEOEOSA-N 1 1 331.463 3.701 20 30 EHEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2nc3ccccc3s2)C1 ZINC001171841330 1137515286 /nfs/dbraw/zinc/51/52/86/1137515286.db2.gz MVYLWMRQFZJXOF-ZIAGYGMSSA-N 1 1 329.469 3.911 20 30 EHEDMO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CC[C@@](C)(C#N)C2)CC12CCC2 ZINC001171862471 1137516355 /nfs/dbraw/zinc/51/63/55/1137516355.db2.gz PILPJWIQPUBWGS-QAPCUYQASA-N 1 1 333.476 3.544 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(N)(c2cccc(F)c2)CC1 ZINC001172300336 1137549442 /nfs/dbraw/zinc/54/94/42/1137549442.db2.gz VNBYYVKTWCVWEK-INIZCTEOSA-N 1 1 337.442 3.578 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(N)(c2ccc(F)cc2)CC1 ZINC001172300316 1137549452 /nfs/dbraw/zinc/54/94/52/1137549452.db2.gz VFOXHPGYVYQNEA-INIZCTEOSA-N 1 1 337.442 3.578 20 30 EHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000871784041 1137558097 /nfs/dbraw/zinc/55/80/97/1137558097.db2.gz PRHCSMTZAMFNPS-HNNXBMFYSA-N 1 1 332.835 3.869 20 30 EHEDMO C=CC(C)(C)CCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000872102636 1137571238 /nfs/dbraw/zinc/57/12/38/1137571238.db2.gz RXHHEJUUDNQTBF-KRWDZBQOSA-N 1 1 342.443 4.000 20 30 EHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@@H](OC)c2cccc(Cl)c2)no1 ZINC000872174202 1137575177 /nfs/dbraw/zinc/57/51/77/1137575177.db2.gz ABBZYQDURCDAFQ-NEPJUHHUSA-N 1 1 328.199 3.601 20 30 EHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@H]2CCCc3cc(OC)ccc32)no1 ZINC000872178751 1137575401 /nfs/dbraw/zinc/57/54/01/1137575401.db2.gz RODZWPZFGBPFOI-LSDHHAIUSA-N 1 1 333.819 3.689 20 30 EHEDMO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2nccnc2C)cc1OC ZINC000873186664 1137593212 /nfs/dbraw/zinc/59/32/12/1137593212.db2.gz UTSJERSZNAPOPK-ZDUSSCGKSA-N 1 1 347.846 3.863 20 30 EHEDMO C[NH+](C)[C@@H](CNCc1cc(C#N)cnc1Cl)c1ccc(Cl)cc1 ZINC000877078396 1137669700 /nfs/dbraw/zinc/66/97/00/1137669700.db2.gz OHJYTCZGNJYINU-INIZCTEOSA-N 1 1 349.265 3.653 20 30 EHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000877550562 1137680919 /nfs/dbraw/zinc/68/09/19/1137680919.db2.gz YLRBJHLONIOTPO-QGZVFWFLSA-N 1 1 341.842 3.600 20 30 EHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001137122571 1137681678 /nfs/dbraw/zinc/68/16/78/1137681678.db2.gz ICBZHBFZXSMVBV-NRFANRHFSA-N 1 1 347.418 3.504 20 30 EHEDMO CC(C)CC(=O)N1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000877773242 1137689359 /nfs/dbraw/zinc/68/93/59/1137689359.db2.gz JKMNUVHSCRTBPU-UHFFFAOYSA-N 1 1 341.499 3.568 20 30 EHEDMO CN(Cc1nc(C#N)cs1)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000877774695 1137689402 /nfs/dbraw/zinc/68/94/02/1137689402.db2.gz MYLAMVGPUAZPHX-GOSISDBHSA-N 1 1 340.496 3.501 20 30 EHEDMO COc1cc(C[N@@H+]2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)ccc1C#N ZINC000877783930 1137689479 /nfs/dbraw/zinc/68/94/79/1137689479.db2.gz KZZUJWKROSXABU-KRWDZBQOSA-N 1 1 338.455 3.793 20 30 EHEDMO COc1cc(C[N@H+]2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)ccc1C#N ZINC000877783930 1137689480 /nfs/dbraw/zinc/68/94/80/1137689480.db2.gz KZZUJWKROSXABU-KRWDZBQOSA-N 1 1 338.455 3.793 20 30 EHEDMO Cc1csc([C@@H]2CC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)n1 ZINC000877813318 1137691139 /nfs/dbraw/zinc/69/11/39/1137691139.db2.gz KZGDAONXLXTETN-GDBMZVCRSA-N 1 1 327.453 3.732 20 30 EHEDMO COC(=O)CC[C@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000877819979 1137691511 /nfs/dbraw/zinc/69/15/11/1137691511.db2.gz BWXKOGMCTMIQKN-QGZVFWFLSA-N 1 1 344.455 3.534 20 30 EHEDMO CC[N@H+](Cc1nnc(-c2ccccc2O)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000877991457 1137698762 /nfs/dbraw/zinc/69/87/62/1137698762.db2.gz QDEZGYPRFJYBCI-CQSZACIVSA-N 1 1 348.406 3.897 20 30 EHEDMO CC[N@@H+](Cc1nnc(-c2ccccc2O)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000877991457 1137698763 /nfs/dbraw/zinc/69/87/63/1137698763.db2.gz QDEZGYPRFJYBCI-CQSZACIVSA-N 1 1 348.406 3.897 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCC=C(c2ccco2)C1)c1ccccc1 ZINC000878599136 1137721762 /nfs/dbraw/zinc/72/17/62/1137721762.db2.gz UKEDVJFAYRSIJD-OAQYLSRUSA-N 1 1 334.419 3.809 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC=C(c2ccco2)C1)c1ccccc1 ZINC000878599136 1137721763 /nfs/dbraw/zinc/72/17/63/1137721763.db2.gz UKEDVJFAYRSIJD-OAQYLSRUSA-N 1 1 334.419 3.809 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000878728428 1137726585 /nfs/dbraw/zinc/72/65/85/1137726585.db2.gz OEELBZUHIRYNNS-LPHOPBHVSA-N 1 1 328.456 3.527 20 30 EHEDMO Cc1cccc2c(C[N@H+]3CCC[C@@H](Oc4ccc(C#N)cc4)C3)[nH]nc21 ZINC001137150417 1137771935 /nfs/dbraw/zinc/77/19/35/1137771935.db2.gz HCRCASVKKSRRQV-GOSISDBHSA-N 1 1 346.434 3.786 20 30 EHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCc3cc(-c4ccccc4)oc3C2)cc1 ZINC000129403837 1137819891 /nfs/dbraw/zinc/81/98/91/1137819891.db2.gz QXVCHROTNLDUTO-HXUWFJFHSA-N 1 1 344.414 3.910 20 30 EHEDMO C=CCCC[C@H]([NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1ccccc1 ZINC000883241494 1137850092 /nfs/dbraw/zinc/85/00/92/1137850092.db2.gz ZZJRDYYMWJQHLF-SFHVURJKSA-N 1 1 340.471 3.886 20 30 EHEDMO N#Cc1csc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)c1 ZINC000331786330 1137920568 /nfs/dbraw/zinc/92/05/68/1137920568.db2.gz HDAJVFGNFWOBEI-NSHDSACASA-N 1 1 340.374 3.741 20 30 EHEDMO N#Cc1csc(C[N@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c1 ZINC000331786330 1137920569 /nfs/dbraw/zinc/92/05/69/1137920569.db2.gz HDAJVFGNFWOBEI-NSHDSACASA-N 1 1 340.374 3.741 20 30 EHEDMO N#Cc1csc(C[N@@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c1 ZINC000331786330 1137920570 /nfs/dbraw/zinc/92/05/70/1137920570.db2.gz HDAJVFGNFWOBEI-NSHDSACASA-N 1 1 340.374 3.741 20 30 EHEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000115552396 1137922239 /nfs/dbraw/zinc/92/22/39/1137922239.db2.gz KYPXHYBPNIZHPG-APWZRJJASA-N 1 1 333.435 3.765 20 30 EHEDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C[C@H](O)CC2(C#N)CCC2)C2CC2)o1 ZINC000885930989 1138026132 /nfs/dbraw/zinc/02/61/32/1138026132.db2.gz NMYGEAIKUDRWDP-QGPMSJSTSA-N 1 1 328.456 3.812 20 30 EHEDMO C[C@H]([NH2+]CC(=O)Nc1nncs1)c1ccc(Cl)cc1Cl ZINC000048553439 1138043476 /nfs/dbraw/zinc/04/34/76/1138043476.db2.gz HRKPEQCQVYDDPX-ZETCQYMHSA-N 1 1 331.228 3.784 20 30 EHEDMO CC(C)(C)OC(=O)Nc1ccnc(C[NH2+]Cc2cc(C#N)cs2)c1 ZINC000886266042 1138062807 /nfs/dbraw/zinc/06/28/07/1138062807.db2.gz YBUSTQQBRSIWGB-UHFFFAOYSA-N 1 1 344.440 3.652 20 30 EHEDMO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@H]2c2ccc(Br)cc2)CCC1 ZINC000886286018 1138064096 /nfs/dbraw/zinc/06/40/96/1138064096.db2.gz ZDFDMZPWGGTSBG-CVEARBPZSA-N 1 1 349.272 3.641 20 30 EHEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@H]2c2ccc(Br)cc2)CCC1 ZINC000886286018 1138064097 /nfs/dbraw/zinc/06/40/97/1138064097.db2.gz ZDFDMZPWGGTSBG-CVEARBPZSA-N 1 1 349.272 3.641 20 30 EHEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000886619292 1138102991 /nfs/dbraw/zinc/10/29/91/1138102991.db2.gz YNZLOIRKXGBPMN-ZFWWWQNUSA-N 1 1 339.317 3.631 20 30 EHEDMO C=CCCCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000080167582 1138161260 /nfs/dbraw/zinc/16/12/60/1138161260.db2.gz BLQJYLJBSCXKJJ-HKUYNNGSSA-N 1 1 329.488 3.647 20 30 EHEDMO CCC(CC)C[N@H+](CCC#N)Cc1cn(C)nc1-c1ccncc1 ZINC000093101043 1138234198 /nfs/dbraw/zinc/23/41/98/1138234198.db2.gz ZSBXSWRCBGGPAT-UHFFFAOYSA-N 1 1 325.460 3.634 20 30 EHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cn(C)nc1-c1ccncc1 ZINC000093101043 1138234201 /nfs/dbraw/zinc/23/42/01/1138234201.db2.gz ZSBXSWRCBGGPAT-UHFFFAOYSA-N 1 1 325.460 3.634 20 30 EHEDMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000126426190 1138330731 /nfs/dbraw/zinc/33/07/31/1138330731.db2.gz KOVOGKADSKGTQS-IAGOWNOFSA-N 1 1 327.428 3.591 20 30 EHEDMO COc1cccc(/C=N/c2cccc([C@H](C)[NH+]3CCOCC3)c2)c1O ZINC000264204771 1138442903 /nfs/dbraw/zinc/44/29/03/1138442903.db2.gz SKSNUZOIDGCBTR-HBBMIWKISA-N 1 1 340.423 3.545 20 30 EHEDMO C[N@@H+](Cc1cc(C#N)ccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174829899 1139444654 /nfs/dbraw/zinc/44/46/54/1139444654.db2.gz AUZYIZLYBWZZJY-UHFFFAOYSA-N 1 1 347.434 3.529 20 30 EHEDMO CC[C@@H](CC#N)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000183908718 1140064709 /nfs/dbraw/zinc/06/47/09/1140064709.db2.gz FWZMZJNUCKMXCU-FQEVSTJZSA-N 1 1 335.451 3.741 20 30 EHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000184324098 1140095904 /nfs/dbraw/zinc/09/59/04/1140095904.db2.gz VIKPVCWPXVWIRY-AWEZNQCLSA-N 1 1 346.500 3.639 20 30 EHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(-c2cnn(C)c2C)no1 ZINC000184480960 1140104817 /nfs/dbraw/zinc/10/48/17/1140104817.db2.gz DFOCNVSDOKUWOT-UHFFFAOYSA-N 1 1 336.439 3.614 20 30 EHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2N[C@@H]2CCC[C@H](C#N)C2)C[C@H](C)O1 ZINC000185739020 1140167410 /nfs/dbraw/zinc/16/74/10/1140167410.db2.gz OAYUFMTWZXKODS-MJQMVNBJSA-N 1 1 327.472 3.790 20 30 EHEDMO C[C@@H]1C[N@H+](Cc2ccccc2N[C@@H]2CCC[C@H](C#N)C2)C[C@H](C)O1 ZINC000185739020 1140167411 /nfs/dbraw/zinc/16/74/11/1140167411.db2.gz OAYUFMTWZXKODS-MJQMVNBJSA-N 1 1 327.472 3.790 20 30 EHEDMO CC(C)[N@@H+](CCOCC(F)(F)C(F)F)Cc1ccc(C#N)cc1 ZINC000188924764 1140313395 /nfs/dbraw/zinc/31/33/95/1140313395.db2.gz LRLIRCKNCYISMD-UHFFFAOYSA-N 1 1 332.341 3.686 20 30 EHEDMO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000189018128 1140317438 /nfs/dbraw/zinc/31/74/38/1140317438.db2.gz ZWHCEWTUCLYOKZ-IEBWSBKVSA-N 1 1 326.484 3.902 20 30 EHEDMO COc1ccc(C[NH+]2CC(C)(C)OC(C)(C)C2)cc1OCCCC#N ZINC000191193178 1140444510 /nfs/dbraw/zinc/44/45/10/1140444510.db2.gz ALAUXBMDKOFKCL-UHFFFAOYSA-N 1 1 346.471 3.767 20 30 EHEDMO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2CCCC(C)(C)C#N)n1 ZINC000191447684 1140464743 /nfs/dbraw/zinc/46/47/43/1140464743.db2.gz ZUKOJMLIGMUXPH-AWEZNQCLSA-N 1 1 335.473 3.787 20 30 EHEDMO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2CCCC(C)(C)C#N)n1 ZINC000191447684 1140464747 /nfs/dbraw/zinc/46/47/47/1140464747.db2.gz ZUKOJMLIGMUXPH-AWEZNQCLSA-N 1 1 335.473 3.787 20 30 EHEDMO N#Cc1ccc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)c(Cl)c1 ZINC000269147870 1141071855 /nfs/dbraw/zinc/07/18/55/1141071855.db2.gz PXTGCKSUEMYGQJ-UHFFFAOYSA-N 1 1 346.862 3.694 20 30 EHEDMO COc1cc(OC)cc(N2CCC[N@@H+](CC(C)(C)CCC#N)CC2)c1 ZINC000271187439 1141320506 /nfs/dbraw/zinc/32/05/06/1141320506.db2.gz NWOOBKXSSBDOFB-UHFFFAOYSA-N 1 1 345.487 3.546 20 30 EHEDMO C#CCN(C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)C1CC1 ZINC000274083328 1141471632 /nfs/dbraw/zinc/47/16/32/1141471632.db2.gz SPNPXXAQXXWGEI-UHFFFAOYSA-N 1 1 332.447 3.556 20 30 EHEDMO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H]3c3ccsc3)C2=O)cc1 ZINC000339139284 1141507704 /nfs/dbraw/zinc/50/77/04/1141507704.db2.gz XSDGPPYXQSUZTA-ZWKOTPCHSA-N 1 1 337.448 3.562 20 30 EHEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@H]3c3ccsc3)C2=O)cc1 ZINC000339139284 1141507711 /nfs/dbraw/zinc/50/77/11/1141507711.db2.gz XSDGPPYXQSUZTA-ZWKOTPCHSA-N 1 1 337.448 3.562 20 30 EHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c[nH]nc1-c1ccsc1 ZINC000348640987 1141560758 /nfs/dbraw/zinc/56/07/58/1141560758.db2.gz IRLYSDQZAISHPP-UHFFFAOYSA-N 1 1 343.452 3.802 20 30 EHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c[nH]nc1-c1ccsc1 ZINC000348640987 1141560761 /nfs/dbraw/zinc/56/07/61/1141560761.db2.gz IRLYSDQZAISHPP-UHFFFAOYSA-N 1 1 343.452 3.802 20 30 EHEDMO Cc1nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccc1CC#N ZINC001164627490 719100630 /nfs/dbraw/zinc/10/06/30/719100630.db2.gz KZWCDOYAZIBOPZ-NHCUHLMSSA-N 1 1 346.478 3.557 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C2(C#N)CCCCC2)cc1 ZINC000080428902 1032058800 /nfs/dbraw/zinc/05/88/00/1032058800.db2.gz LKQVCUKNTTWDLE-HNNXBMFYSA-N 1 1 336.439 3.832 20 30 EHEDMO CCOC(=O)c1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)[nH]c1C ZINC000449012176 1032058841 /nfs/dbraw/zinc/05/88/41/1032058841.db2.gz ZEXYENLBCZBABV-UHFFFAOYSA-N 1 1 337.423 3.536 20 30 EHEDMO CCOC(=O)c1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)[nH]c1C ZINC000449012176 1032058859 /nfs/dbraw/zinc/05/88/59/1032058859.db2.gz ZEXYENLBCZBABV-UHFFFAOYSA-N 1 1 337.423 3.536 20 30 EHEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000248618212 1032069291 /nfs/dbraw/zinc/06/92/91/1032069291.db2.gz JUWJPWGSSPBSSO-BEVDRBHNSA-N 1 1 342.483 3.692 20 30 EHEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cc1)C1CC1 ZINC000116803501 1014280553 /nfs/dbraw/zinc/28/05/53/1014280553.db2.gz CMARNMWHBNAQKV-KKSFZXQISA-N 1 1 339.483 3.873 20 30 EHEDMO Cc1cc(C#N)ccc1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000357972651 1014300606 /nfs/dbraw/zinc/30/06/06/1014300606.db2.gz VWAPPCQOFJRFGK-UHFFFAOYSA-N 1 1 327.815 3.834 20 30 EHEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000579727028 1014309418 /nfs/dbraw/zinc/30/94/18/1014309418.db2.gz MAXIQKQFRJYNRU-LQJIQPLVSA-N 1 1 337.467 3.707 20 30 EHEDMO C=C(C)[C@H](CC(=O)Nc1ccccc1C[NH+]1CCSCC1)OCC ZINC000339398497 1014337884 /nfs/dbraw/zinc/33/78/84/1014337884.db2.gz XBWPQLBAIMKASU-SFHVURJKSA-N 1 1 348.512 3.545 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c(C(F)(F)F)c1 ZINC000430151588 1014439588 /nfs/dbraw/zinc/43/95/88/1014439588.db2.gz RWSXQVBZLBYBEA-INIZCTEOSA-N 1 1 338.373 3.826 20 30 EHEDMO CCC[N@@H+](CCc1cccc(F)c1)Cc1cnc2ccc(C#N)cn12 ZINC000536668320 1032091965 /nfs/dbraw/zinc/09/19/65/1032091965.db2.gz ACSADLCGTTYJFL-UHFFFAOYSA-N 1 1 336.414 3.800 20 30 EHEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000538000951 1032092358 /nfs/dbraw/zinc/09/23/58/1032092358.db2.gz SCTOVTHQYASWGL-OAQYLSRUSA-N 1 1 347.462 3.716 20 30 EHEDMO C=CCOCc1ncn2c1C[N@H+](Cc1cc(C)c(F)c(C)c1)CCC2 ZINC001143373900 1014761453 /nfs/dbraw/zinc/76/14/53/1014761453.db2.gz DLZAXLMRJHKDMS-UHFFFAOYSA-N 1 1 343.446 3.748 20 30 EHEDMO C=CCOCc1ncn2c1C[N@@H+](Cc1cc(C)c(F)c(C)c1)CCC2 ZINC001143373900 1014761462 /nfs/dbraw/zinc/76/14/62/1014761462.db2.gz DLZAXLMRJHKDMS-UHFFFAOYSA-N 1 1 343.446 3.748 20 30 EHEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000339661126 1015482663 /nfs/dbraw/zinc/48/26/63/1015482663.db2.gz RPWHGYGABNSIDO-IBGZPJMESA-N 1 1 330.435 3.881 20 30 EHEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1nccs1)c1ccc(F)c(F)c1 ZINC000187789756 1015487929 /nfs/dbraw/zinc/48/79/29/1015487929.db2.gz CDIGZKWIMIZQHT-QMTHXVAHSA-N 1 1 337.395 3.655 20 30 EHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](CC3CC3)C2)c1 ZINC000339670322 1015491752 /nfs/dbraw/zinc/49/17/52/1015491752.db2.gz BBTJWSOQQAOSQB-LJQANCHMSA-N 1 1 339.483 3.672 20 30 EHEDMO C#C[C@H]1CCCCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000890649558 1015587838 /nfs/dbraw/zinc/58/78/38/1015587838.db2.gz FCDSRRAXPCPSRQ-MSOLQXFVSA-N 1 1 339.483 3.508 20 30 EHEDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2ccc(OC)c(C#N)c2)cc1 ZINC000535618315 1015674678 /nfs/dbraw/zinc/67/46/78/1015674678.db2.gz UEDDQENVVSMOOE-INIZCTEOSA-N 1 1 338.451 3.886 20 30 EHEDMO C[N@@H+](CCC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C1CCCCC1 ZINC000547737085 1015724104 /nfs/dbraw/zinc/72/41/04/1015724104.db2.gz ZMFFYWWIDQTCQD-UHFFFAOYSA-N 1 1 339.483 3.704 20 30 EHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)CCS1 ZINC000192188253 1120723403 /nfs/dbraw/zinc/72/34/03/1120723403.db2.gz JHZFYQKJQVKSLK-LLVKDONJSA-N 1 1 325.275 3.648 20 30 EHEDMO C=CCCCCCCCC[N@@H+]1C[C@@H]2C[C@H](Cc3nc(C)no3)O[C@@H]2C1 ZINC001209443801 1016303589 /nfs/dbraw/zinc/30/35/89/1016303589.db2.gz GDELDSNNTXDHTM-IPMKNSEASA-N 1 1 347.503 3.927 20 30 EHEDMO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000376555051 1016418295 /nfs/dbraw/zinc/41/82/95/1016418295.db2.gz TZMLWVNJTJGLGV-OAHLLOKOSA-N 1 1 349.272 3.569 20 30 EHEDMO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000376555051 1016418301 /nfs/dbraw/zinc/41/83/01/1016418301.db2.gz TZMLWVNJTJGLGV-OAHLLOKOSA-N 1 1 349.272 3.569 20 30 EHEDMO C#CC[N@@H+](Cc1ccc(-n2ccnc2)cc1)[C@H]1CCc2ccccc21 ZINC001167178820 1016488747 /nfs/dbraw/zinc/48/87/47/1016488747.db2.gz LUPWRRVJMMWEAG-QFIPXVFZSA-N 1 1 327.431 3.995 20 30 EHEDMO Cc1c(C#N)cccc1NC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000178569123 1016719790 /nfs/dbraw/zinc/71/97/90/1016719790.db2.gz JKKDKPMGUDBKBK-DNVCBOLYSA-N 1 1 348.450 3.651 20 30 EHEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(F)cc1Cl ZINC000340957216 1016896688 /nfs/dbraw/zinc/89/66/88/1016896688.db2.gz VHVWXSPDDGNCNL-UHFFFAOYSA-N 1 1 345.805 3.811 20 30 EHEDMO N#Cc1c(F)cccc1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459490825 1032211186 /nfs/dbraw/zinc/21/11/86/1032211186.db2.gz BUCZAICPPZDJBE-UHFFFAOYSA-N 1 1 336.410 3.761 20 30 EHEDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598588156 1033314449 /nfs/dbraw/zinc/31/44/49/1033314449.db2.gz ZANRFUFUGSPESI-IUODEOHRSA-N 1 1 328.378 3.999 20 30 EHEDMO C=CCCC[C@@H]([NH3+])c1nc(COc2ccc(F)c(Cl)c2)no1 ZINC000904729354 1032218048 /nfs/dbraw/zinc/21/80/48/1032218048.db2.gz WFAPBOZKYDWQOH-CYBMUJFWSA-N 1 1 325.771 3.797 20 30 EHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(OC)c(OC)c2Cl)no1 ZINC000904734401 1032219598 /nfs/dbraw/zinc/21/95/98/1032219598.db2.gz YSMBEKLMSDHNFI-NSHDSACASA-N 1 1 337.807 3.763 20 30 EHEDMO CC[N@H+](CCC#N)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000081040535 1032241988 /nfs/dbraw/zinc/24/19/88/1032241988.db2.gz DKYNONDEZQHOIW-IBGZPJMESA-N 1 1 341.480 3.579 20 30 EHEDMO CC[N@@H+](CCC#N)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000081040535 1032241997 /nfs/dbraw/zinc/24/19/97/1032241997.db2.gz DKYNONDEZQHOIW-IBGZPJMESA-N 1 1 341.480 3.579 20 30 EHEDMO C=CCOc1ccccc1C[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449427086 1032544336 /nfs/dbraw/zinc/54/43/36/1032544336.db2.gz RVPZXMWQWYTRRQ-TZIWHRDSSA-N 1 1 341.426 3.551 20 30 EHEDMO C[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)CC(C)(C)CO ZINC000449420517 1032554874 /nfs/dbraw/zinc/55/48/74/1032554874.db2.gz JRPRPFFEPYFXCN-UHFFFAOYSA-N 1 1 338.451 3.588 20 30 EHEDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000593040447 1032676523 /nfs/dbraw/zinc/67/65/23/1032676523.db2.gz INQFKLYWPRVUCG-LJQANCHMSA-N 1 1 330.447 3.890 20 30 EHEDMO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@]3(CC=CCC3)C2)C1=O ZINC000177076102 1017576092 /nfs/dbraw/zinc/57/60/92/1017576092.db2.gz OLPRDONPQOPFCG-LPHOPBHVSA-N 1 1 341.480 3.547 20 30 EHEDMO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@]3(CC=CCC3)C2)C1=O ZINC000177076102 1017576104 /nfs/dbraw/zinc/57/61/04/1017576104.db2.gz OLPRDONPQOPFCG-LPHOPBHVSA-N 1 1 341.480 3.547 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2c(C#N)cnc3ccccc32)C1 ZINC000610281852 1017615508 /nfs/dbraw/zinc/61/55/08/1017615508.db2.gz RTNIARCGWBMGJO-IBGZPJMESA-N 1 1 342.446 3.817 20 30 EHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H]1CCN(c2ccccc2)C1 ZINC000639162222 1017712628 /nfs/dbraw/zinc/71/26/28/1017712628.db2.gz QLJYTYZJNMROKU-GOSISDBHSA-N 1 1 340.467 3.677 20 30 EHEDMO Cc1ccc2[nH]c3c(c2c1)C[N@H+](CCOc1cccc(C#N)c1)CC3 ZINC000609195978 1018005753 /nfs/dbraw/zinc/00/57/53/1018005753.db2.gz PJYULRQBWUKYOS-UHFFFAOYSA-N 1 1 331.419 3.785 20 30 EHEDMO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CCOc1cccc(C#N)c1)CC3 ZINC000609195978 1018005765 /nfs/dbraw/zinc/00/57/65/1018005765.db2.gz PJYULRQBWUKYOS-UHFFFAOYSA-N 1 1 331.419 3.785 20 30 EHEDMO N#Cc1ccc(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000056346435 1018256078 /nfs/dbraw/zinc/25/60/78/1018256078.db2.gz RMMKZCUCMFEJKQ-UHFFFAOYSA-N 1 1 340.471 3.678 20 30 EHEDMO N#Cc1csc(CNCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000177682250 1018383586 /nfs/dbraw/zinc/38/35/86/1018383586.db2.gz MGYVGZOCNRGQED-UHFFFAOYSA-N 1 1 325.481 3.895 20 30 EHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cc2ccccc2n(C)c1=O ZINC000584537531 1018398670 /nfs/dbraw/zinc/39/86/70/1018398670.db2.gz KLZJVHAZYVQHJF-UHFFFAOYSA-N 1 1 345.446 3.821 20 30 EHEDMO C[C@H]1Cc2c(C#N)c(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)sc2[C@H](C)C1 ZINC000891175448 1018474748 /nfs/dbraw/zinc/47/47/48/1018474748.db2.gz VODLNJQUFPQXGT-MQYQWHSLSA-N 1 1 345.512 3.974 20 30 EHEDMO C[C@H]1CCc2sc(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c(C#N)c2[C@H]1C ZINC000891179888 1018489852 /nfs/dbraw/zinc/48/98/52/1018489852.db2.gz DDGKPQAOCLSCCP-XUXIUFHCSA-N 1 1 345.512 3.974 20 30 EHEDMO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000015548169 1018757548 /nfs/dbraw/zinc/75/75/48/1018757548.db2.gz QFWGMMRZZMFPKD-HXUWFJFHSA-N 1 1 349.434 3.733 20 30 EHEDMO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000015548169 1018757568 /nfs/dbraw/zinc/75/75/68/1018757568.db2.gz QFWGMMRZZMFPKD-HXUWFJFHSA-N 1 1 349.434 3.733 20 30 EHEDMO CCCc1ccc([C@H](C)[N@H+](CC(N)=O)Cc2ccc(C#N)cc2C)cc1 ZINC000614402933 1018980220 /nfs/dbraw/zinc/98/02/20/1018980220.db2.gz QZSOLTKTDYVCHH-KRWDZBQOSA-N 1 1 349.478 3.868 20 30 EHEDMO CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)Cc2ccc(C#N)cc2C)cc1 ZINC000614402933 1018980227 /nfs/dbraw/zinc/98/02/27/1018980227.db2.gz QZSOLTKTDYVCHH-KRWDZBQOSA-N 1 1 349.478 3.868 20 30 EHEDMO C[C@H]1CN(Cc2cc(C#N)cs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000449557215 1032801900 /nfs/dbraw/zinc/80/19/00/1032801900.db2.gz UZWRLYIKFXDXEL-MRXNPFEDSA-N 1 1 325.481 3.574 20 30 EHEDMO Cc1ccccc1C[N@H+]1CCCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000729266710 1019255901 /nfs/dbraw/zinc/25/59/01/1019255901.db2.gz BRQWQSKPSMUMHY-UHFFFAOYSA-N 1 1 349.478 3.605 20 30 EHEDMO Cc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000083560544 1019314550 /nfs/dbraw/zinc/31/45/50/1019314550.db2.gz KQVFWAYGNSVNHI-QGZVFWFLSA-N 1 1 348.450 3.605 20 30 EHEDMO Cc1ccc(C#N)cc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000083560544 1019314566 /nfs/dbraw/zinc/31/45/66/1019314566.db2.gz KQVFWAYGNSVNHI-QGZVFWFLSA-N 1 1 348.450 3.605 20 30 EHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)C2)cc1OC ZINC000656272143 1019855287 /nfs/dbraw/zinc/85/52/87/1019855287.db2.gz PKGSRDJWZMMATC-SFHVURJKSA-N 1 1 331.456 3.794 20 30 EHEDMO C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1Cl)C(=O)NC1(C#N)CCC1 ZINC000345122868 1019978926 /nfs/dbraw/zinc/97/89/26/1019978926.db2.gz APDZMSGZENBKHH-GHMZBOCLSA-N 1 1 340.254 3.595 20 30 EHEDMO C[C@H](CCC#N)C[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000602453718 1032884022 /nfs/dbraw/zinc/88/40/22/1032884022.db2.gz IZCNIOQWSXACLI-OAHLLOKOSA-N 1 1 348.878 3.819 20 30 EHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(F)F)nc1 ZINC000602444448 1032892183 /nfs/dbraw/zinc/89/21/83/1032892183.db2.gz MXUFOAZWFRVQNQ-UHFFFAOYSA-N 1 1 331.366 3.539 20 30 EHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(F)F)nc1 ZINC000602444448 1032892196 /nfs/dbraw/zinc/89/21/96/1032892196.db2.gz MXUFOAZWFRVQNQ-UHFFFAOYSA-N 1 1 331.366 3.539 20 30 EHEDMO C[C@@H](CCC#N)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000602443294 1032892687 /nfs/dbraw/zinc/89/26/87/1032892687.db2.gz BZPUHMDAEATFAL-WMZOPIPTSA-N 1 1 328.460 3.602 20 30 EHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2cccc(C#N)c2)cc1 ZINC000337064319 1020638985 /nfs/dbraw/zinc/63/89/85/1020638985.db2.gz UMCJTUNESNWSNV-UHFFFAOYSA-N 1 1 335.451 3.720 20 30 EHEDMO C=CCOCCCNc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC000656472880 1020686377 /nfs/dbraw/zinc/68/63/77/1020686377.db2.gz CXRSJNLNKPZWDH-UHFFFAOYSA-N 1 1 340.427 3.694 20 30 EHEDMO C#CCC1([NH2+]Cc2nnc(-c3ccccc3Br)o2)CCC1 ZINC000933303201 1021076636 /nfs/dbraw/zinc/07/66/36/1021076636.db2.gz UGSYJQCQYKRUDO-UHFFFAOYSA-N 1 1 346.228 3.535 20 30 EHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ccc(Cl)c(C#N)n1 ZINC000610515905 1021172256 /nfs/dbraw/zinc/17/22/56/1021172256.db2.gz FXBSAUIURTUDOB-OAHLLOKOSA-N 1 1 340.858 3.707 20 30 EHEDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000394124807 1021268406 /nfs/dbraw/zinc/26/84/06/1021268406.db2.gz GRSCWNAXDMNASY-AWEZNQCLSA-N 1 1 327.291 3.894 20 30 EHEDMO CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000439253032 1021298292 /nfs/dbraw/zinc/29/82/92/1021298292.db2.gz AMBMDCGTYNWPSI-HXUWFJFHSA-N 1 1 326.415 3.861 20 30 EHEDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000439253032 1021298299 /nfs/dbraw/zinc/29/82/99/1021298299.db2.gz AMBMDCGTYNWPSI-HXUWFJFHSA-N 1 1 326.415 3.861 20 30 EHEDMO COc1ccc([C@H](C)C[N@@H+](C)CCOCc2ccc(C#N)cc2)cc1 ZINC000519785366 1021688595 /nfs/dbraw/zinc/68/85/95/1021688595.db2.gz GYNZEUDDAXJIQF-QGZVFWFLSA-N 1 1 338.451 3.819 20 30 EHEDMO COc1ccc(CNCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1C#N ZINC000237153438 1021691012 /nfs/dbraw/zinc/69/10/12/1021691012.db2.gz IQXVIKZSSBQTJO-KRWDZBQOSA-N 1 1 337.467 3.567 20 30 EHEDMO COc1ccc(C[NH2+]CC[C@H](C)N(C)Cc2ccccc2)cc1C#N ZINC000237153438 1021691041 /nfs/dbraw/zinc/69/10/41/1021691041.db2.gz IQXVIKZSSBQTJO-KRWDZBQOSA-N 1 1 337.467 3.567 20 30 EHEDMO O[C@H]([C@H]1CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1)C(F)(F)F ZINC000449663823 1032999480 /nfs/dbraw/zinc/99/94/80/1032999480.db2.gz ASOCPIWDCQFYJJ-JOYOIKCWSA-N 1 1 345.258 3.590 20 30 EHEDMO O[C@H]([C@H]1CC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1)C(F)(F)F ZINC000449663823 1032999493 /nfs/dbraw/zinc/99/94/93/1032999493.db2.gz ASOCPIWDCQFYJJ-JOYOIKCWSA-N 1 1 345.258 3.590 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC(F)(F)[C@@H](C)C2)cc1 ZINC000289936713 1021878687 /nfs/dbraw/zinc/87/86/87/1021878687.db2.gz VDZQHXBPCWIHPK-JKSUJKDBSA-N 1 1 349.425 3.607 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC(F)(F)[C@@H](C)C2)cc1 ZINC000289936713 1021878697 /nfs/dbraw/zinc/87/86/97/1021878697.db2.gz VDZQHXBPCWIHPK-JKSUJKDBSA-N 1 1 349.425 3.607 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000437533014 1021927020 /nfs/dbraw/zinc/92/70/20/1021927020.db2.gz BHHXYBQFRLSOMH-JKSUJKDBSA-N 1 1 349.887 3.510 20 30 EHEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000437533014 1021927029 /nfs/dbraw/zinc/92/70/29/1021927029.db2.gz BHHXYBQFRLSOMH-JKSUJKDBSA-N 1 1 349.887 3.510 20 30 EHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000164870152 1021977417 /nfs/dbraw/zinc/97/74/17/1021977417.db2.gz HZSAYQJHTXNCDW-SNVBAGLBSA-N 1 1 346.066 3.993 20 30 EHEDMO CC(C)C[N@@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)Cc1ccc(C#N)cc1 ZINC000520173073 1021985405 /nfs/dbraw/zinc/98/54/05/1021985405.db2.gz IWMHCEGNSZYQIH-QZTJIDSGSA-N 1 1 341.499 3.806 20 30 EHEDMO Cc1cc(C)c(C#N)c(N2CCC[N@@H+](CCCc3ccccc3)CC2)n1 ZINC000506798995 1022034079 /nfs/dbraw/zinc/03/40/79/1022034079.db2.gz OWLIIANKQNQFIQ-UHFFFAOYSA-N 1 1 348.494 3.715 20 30 EHEDMO C[C@H](CCC#N)C[NH+]1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000602639993 1033028997 /nfs/dbraw/zinc/02/89/97/1033028997.db2.gz NTWJIJKRQKLHIQ-OAHLLOKOSA-N 1 1 341.480 3.599 20 30 EHEDMO N#Cc1ccc(OCC[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000506123086 1022108159 /nfs/dbraw/zinc/10/81/59/1022108159.db2.gz PZCCAVJGARXDFN-JOCHJYFZSA-N 1 1 343.430 3.844 20 30 EHEDMO N#Cc1ccc(OCC[N@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000506123086 1022108171 /nfs/dbraw/zinc/10/81/71/1022108171.db2.gz PZCCAVJGARXDFN-JOCHJYFZSA-N 1 1 343.430 3.844 20 30 EHEDMO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026325246 1033030287 /nfs/dbraw/zinc/03/02/87/1033030287.db2.gz SZZGAFUFEVVVPH-CYBMUJFWSA-N 1 1 327.815 3.671 20 30 EHEDMO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026325246 1033030300 /nfs/dbraw/zinc/03/03/00/1033030300.db2.gz SZZGAFUFEVVVPH-CYBMUJFWSA-N 1 1 327.815 3.671 20 30 EHEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2C2CCCCC2)cc1 ZINC000134013142 1022250976 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C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cccc(F)c1Cl ZINC000550105313 1022451991 /nfs/dbraw/zinc/45/19/91/1022451991.db2.gz XNUQJXRHVVCDBW-UHFFFAOYSA-N 1 1 332.806 3.999 20 30 EHEDMO C=CCCCN(CC)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000894518051 1022453608 /nfs/dbraw/zinc/45/36/08/1022453608.db2.gz VBVRWBDSNYIUOM-LJQANCHMSA-N 1 1 329.488 3.506 20 30 EHEDMO C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1cncc(F)c1 ZINC000328603817 1022462969 /nfs/dbraw/zinc/46/29/69/1022462969.db2.gz ICIJLFKULCXEPL-KBXCAEBGSA-N 1 1 348.466 3.582 20 30 EHEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000328769415 1022484620 /nfs/dbraw/zinc/48/46/20/1022484620.db2.gz ILICYJRRQUWNNJ-MRXNPFEDSA-N 1 1 343.471 3.775 20 30 EHEDMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1N1CCCC1=O ZINC000328798595 1022505077 /nfs/dbraw/zinc/50/50/77/1022505077.db2.gz WUBHZVLFQFBBIV-HNNXBMFYSA-N 1 1 329.444 3.666 20 30 EHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000331272390 1022771665 /nfs/dbraw/zinc/77/16/65/1022771665.db2.gz GUGVHYGSEUHXNV-QAPCUYQASA-N 1 1 342.487 3.824 20 30 EHEDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)n2)c2ccccc21 ZINC000602713574 1033099199 /nfs/dbraw/zinc/09/91/99/1033099199.db2.gz VZRGTRGRBJVUMM-RTBURBONSA-N 1 1 349.434 3.613 20 30 EHEDMO COc1ccc(C#N)cc1CN1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000383093454 1023024890 /nfs/dbraw/zinc/02/48/90/1023024890.db2.gz WIWMKXPLOSVTSR-GOSISDBHSA-N 1 1 349.478 3.663 20 30 EHEDMO N#CCc1cccc2c1CC[N@@H+](C[C@H]1CCN(c3ccccc3)C1)C2 ZINC000602729343 1033117187 /nfs/dbraw/zinc/11/71/87/1033117187.db2.gz ICRABIUKJRBOFH-GOSISDBHSA-N 1 1 331.463 3.637 20 30 EHEDMO C[C@@H]1CCN(Cc2cccc(F)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000428236834 1033134587 /nfs/dbraw/zinc/13/45/87/1033134587.db2.gz IVNOVMVSHJFYPT-QGZVFWFLSA-N 1 1 337.442 3.794 20 30 EHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000187669164 1023484930 /nfs/dbraw/zinc/48/49/30/1023484930.db2.gz VSTAFWVTTXNGFJ-IEBWSBKVSA-N 1 1 347.462 3.761 20 30 EHEDMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(F)(C#N)CC1 ZINC000348711181 1023738245 /nfs/dbraw/zinc/73/82/45/1023738245.db2.gz FVXQVIQPXWLRAL-UHFFFAOYSA-N 1 1 346.837 3.970 20 30 EHEDMO C[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)[C@@H]1c1cccc(F)c1 ZINC000472326563 1033158281 /nfs/dbraw/zinc/15/82/81/1033158281.db2.gz ZOENOILBKZJHJC-BEFAXECRSA-N 1 1 343.446 3.551 20 30 EHEDMO C[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)[C@@H]1c1cccc(F)c1 ZINC000472326563 1033158290 /nfs/dbraw/zinc/15/82/90/1033158290.db2.gz ZOENOILBKZJHJC-BEFAXECRSA-N 1 1 343.446 3.551 20 30 EHEDMO Cc1c([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)nnn1-c1ccccc1 ZINC000610830382 1023780300 /nfs/dbraw/zinc/78/03/00/1023780300.db2.gz POCADIKAMNUHRV-CABCVRRESA-N 1 1 331.423 3.859 20 30 EHEDMO CCN(CCC#N)C(=O)C[N@@H+](CC(C)C)[C@@H](C)c1ccccc1C ZINC000342069375 1023825782 /nfs/dbraw/zinc/82/57/82/1023825782.db2.gz UKCVLKPESRNGCP-SFHVURJKSA-N 1 1 329.488 3.776 20 30 EHEDMO COc1ccc(C#N)cc1CN1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000610966978 1023913444 /nfs/dbraw/zinc/91/34/44/1023913444.db2.gz JQMPRTFWNANJDH-GOSISDBHSA-N 1 1 349.478 3.663 20 30 EHEDMO C[C@@H]1CCN(Cc2cc(F)ccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000345761956 1024041451 /nfs/dbraw/zinc/04/14/51/1024041451.db2.gz UNFZORGSJZXQDN-QGZVFWFLSA-N 1 1 337.442 3.794 20 30 EHEDMO Cc1nscc1C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000329709168 1024110884 /nfs/dbraw/zinc/11/08/84/1024110884.db2.gz MVCJGONAUOCJKE-BETUJISGSA-N 1 1 345.468 3.697 20 30 EHEDMO Cc1nscc1C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000329709168 1024110893 /nfs/dbraw/zinc/11/08/93/1024110893.db2.gz MVCJGONAUOCJKE-BETUJISGSA-N 1 1 345.468 3.697 20 30 EHEDMO Cc1cc(C#N)cc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000342122918 1024175668 /nfs/dbraw/zinc/17/56/68/1024175668.db2.gz UKGLBXZITVMIFR-UHFFFAOYSA-N 1 1 334.467 3.610 20 30 EHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(OC2CCCC2)nc1 ZINC000329847561 1024220334 /nfs/dbraw/zinc/22/03/34/1024220334.db2.gz MUGPROWYCNLBKJ-GASCZTMLSA-N 1 1 331.460 3.732 20 30 EHEDMO O=C(CCC(=O)c1ccc(Cl)cn1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000329905173 1024244458 /nfs/dbraw/zinc/24/44/58/1024244458.db2.gz RKEIDLSEWFMHCW-AWEZNQCLSA-N 1 1 349.862 3.671 20 30 EHEDMO CCOc1cc(Cl)ccc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000329909622 1024244575 /nfs/dbraw/zinc/24/45/75/1024244575.db2.gz VEBMLMAVAYFLSM-UKRRQHHQSA-N 1 1 337.851 3.691 20 30 EHEDMO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CCCC2(C1)CCCCCC2 ZINC000329944353 1024260180 /nfs/dbraw/zinc/26/01/80/1024260180.db2.gz IIQRMCJQPJWTBM-KRWDZBQOSA-N 1 1 344.503 3.796 20 30 EHEDMO CC1(C)CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CCS1 ZINC000434693105 1024299967 /nfs/dbraw/zinc/29/99/67/1024299967.db2.gz CKCQMCPZLAFYJL-UHFFFAOYSA-N 1 1 326.412 3.877 20 30 EHEDMO Cc1oc2ccc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)cc2c1C ZINC000330159746 1024338231 /nfs/dbraw/zinc/33/82/31/1024338231.db2.gz QQWAWEHGCOZJMF-SJORKVTESA-N 1 1 327.428 3.812 20 30 EHEDMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cc(C)cc(F)c1)C2 ZINC001143587254 1024348011 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COc1cc(C[NH2+][C@@H](C)CC#N)ccc1OCc1cccc(C#N)c1 ZINC000602869787 1033220599 /nfs/dbraw/zinc/22/05/99/1033220599.db2.gz OTZNWMMLGDCHQI-HNNXBMFYSA-N 1 1 335.407 3.538 20 30 EHEDMO CC(C)C[C@H]1CCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435129354 1024639373 /nfs/dbraw/zinc/63/93/73/1024639373.db2.gz JNPNRZDQQDLAEK-LJQANCHMSA-N 1 1 337.471 3.869 20 30 EHEDMO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1c(CCCC)oc2ccccc21 ZINC000514710849 1024687624 /nfs/dbraw/zinc/68/76/24/1024687624.db2.gz IZPLJJFKDCKNEM-HNNXBMFYSA-N 1 1 328.456 3.898 20 30 EHEDMO CCCC[C@@H](CC)C[N@H+]1CCC2(C1)CCN(C(=O)CCS)CC2 ZINC001269952924 1024893040 /nfs/dbraw/zinc/89/30/40/1024893040.db2.gz ANHXHTHHGBJOKC-QGZVFWFLSA-N 1 1 340.577 3.837 20 30 EHEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000602927290 1033255524 /nfs/dbraw/zinc/25/55/24/1033255524.db2.gz ZHOPRELASSUXEJ-KRWDZBQOSA-N 1 1 348.805 3.573 20 30 EHEDMO C=C(C(=O)N1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1)C(F)(F)F ZINC001270008110 1025125285 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334.423 3.784 20 30 EHEDMO CSC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000181151719 1037430213 /nfs/dbraw/zinc/43/02/13/1037430213.db2.gz DZKLPNPXIICDRA-CYBMUJFWSA-N 1 1 325.275 3.648 20 30 EHEDMO CCC[N@@H+](C)C[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177354243 1037490314 /nfs/dbraw/zinc/49/03/14/1037490314.db2.gz URHPDJJZIDBTTF-KRWDZBQOSA-N 1 1 338.417 3.721 20 30 EHEDMO N#Cc1ccc2ncc(C[N@H+]3C[C@H](c4ccccc4)[C@@H]4CCC[C@H]43)n2c1 ZINC000573407172 1037506920 /nfs/dbraw/zinc/50/69/20/1037506920.db2.gz HEXZCGAXGUAPQY-PWRODBHTSA-N 1 1 342.446 3.974 20 30 EHEDMO Fc1ccc(C#CC[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000540043589 1037512766 /nfs/dbraw/zinc/51/27/66/1037512766.db2.gz FGEXBWZXWWTRQZ-UHFFFAOYSA-N 1 1 349.405 3.738 20 30 EHEDMO Fc1ccc(C#CC[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000540043589 1037512778 /nfs/dbraw/zinc/51/27/78/1037512778.db2.gz FGEXBWZXWWTRQZ-UHFFFAOYSA-N 1 1 349.405 3.738 20 30 EHEDMO Cc1cc(NC2CC(F)(F)C2)c(C#N)c(NC2CC(F)(F)C2)[nH+]1 ZINC000591593723 1037535875 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CC[N@@H+]1CC[C@@H](Nc2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539106528 1038676350 /nfs/dbraw/zinc/67/63/50/1038676350.db2.gz AKZAKDXQASPNJU-SJLPKXTDSA-N 1 1 344.821 3.993 20 30 EHEDMO CC[N@H+]1CC[C@@H](Nc2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539106528 1038676353 /nfs/dbraw/zinc/67/63/53/1038676353.db2.gz AKZAKDXQASPNJU-SJLPKXTDSA-N 1 1 344.821 3.993 20 30 EHEDMO C=CCCC[C@@H](C)[NH+]1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000539248739 1038742671 /nfs/dbraw/zinc/74/26/71/1038742671.db2.gz ASFRFRVNYJJJJB-CQSZACIVSA-N 1 1 332.469 3.997 20 30 EHEDMO N#Cc1ccc(-c2nnc(C[NH2+][C@H](c3cccs3)C3CC3)o2)cc1 ZINC000539369922 1038834231 /nfs/dbraw/zinc/83/42/31/1038834231.db2.gz LYDQDFINGFAHJK-KRWDZBQOSA-N 1 1 336.420 3.911 20 30 EHEDMO C=CCCC[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000539389950 1038886025 /nfs/dbraw/zinc/88/60/25/1038886025.db2.gz HJNPKYGZNVPJIX-KRWDZBQOSA-N 1 1 347.478 3.788 20 30 EHEDMO C=CCCC[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000539389950 1038886051 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3.553 20 30 EHEDMO CCN(CCO)c1ccc(C=[NH+]Nc2ccc(Cl)cc2)c(C)c1 ZINC000916246994 1122108949 /nfs/dbraw/zinc/10/89/49/1122108949.db2.gz SSLGPEZLRODMOJ-UHFFFAOYSA-N 1 1 331.847 3.913 20 30 EHEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000916642256 1122236376 /nfs/dbraw/zinc/23/63/76/1122236376.db2.gz LJLBHYVXHWZMTA-KRWDZBQOSA-N 1 1 327.472 3.678 20 30 EHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000496987759 1122240943 /nfs/dbraw/zinc/24/09/43/1122240943.db2.gz UMYXQTPRXFRASV-CVEARBPZSA-N 1 1 337.508 3.942 20 30 EHEDMO CC(C)(C)OC(=O)N1CCc2cccc(C[NH+]3CCC(C#N)CC3)c21 ZINC000123716599 1122261805 /nfs/dbraw/zinc/26/18/05/1122261805.db2.gz FVFSJXAIDGYGJH-UHFFFAOYSA-N 1 1 341.455 3.720 20 30 EHEDMO C=CCC[C@H](NC(=O)NC[C@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC000125700014 1122325598 /nfs/dbraw/zinc/32/55/98/1122325598.db2.gz LUQDLLMCSXTOIR-ZWKOTPCHSA-N 1 1 341.455 3.889 20 30 EHEDMO Cc1ccc(-c2ccc(C[N@H+](CC(=O)NCC#N)C(C)C)s2)cc1 ZINC000066496700 1122472465 /nfs/dbraw/zinc/47/24/65/1122472465.db2.gz XYTIVCUTUGPLQR-UHFFFAOYSA-N 1 1 341.480 3.574 20 30 EHEDMO C=CC[N@H+](Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)C(C)C ZINC000917167128 1122542515 /nfs/dbraw/zinc/54/25/15/1122542515.db2.gz VGMYQWPWVBWQSA-UHFFFAOYSA-N 1 1 325.334 3.751 20 30 EHEDMO C=CC[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)C(C)C ZINC000917167128 1122542517 /nfs/dbraw/zinc/54/25/17/1122542517.db2.gz VGMYQWPWVBWQSA-UHFFFAOYSA-N 1 1 325.334 3.751 20 30 EHEDMO C=CCn1c(SCc2[nH]c(C)[nH+]c2C)nnc1-c1cccs1 ZINC000917245404 1122565981 /nfs/dbraw/zinc/56/59/81/1122565981.db2.gz GOCSLULOSAHTCN-UHFFFAOYSA-N 1 1 331.470 3.825 20 30 EHEDMO CC[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497600206 1122605451 /nfs/dbraw/zinc/60/54/51/1122605451.db2.gz VIWNMYYPWFSMFI-ABSDTBQOSA-N 1 1 341.499 3.978 20 30 EHEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)COc1cc(C)ccc1C ZINC000497605816 1122607013 /nfs/dbraw/zinc/60/70/13/1122607013.db2.gz RRGWCDKIOJMGKJ-FQEVSTJZSA-N 1 1 325.452 3.731 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000128795778 1122669819 /nfs/dbraw/zinc/66/98/19/1122669819.db2.gz RUWVOMPUQDKREP-QGZVFWFLSA-N 1 1 349.544 3.958 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000609280548 1122840388 /nfs/dbraw/zinc/84/03/88/1122840388.db2.gz ABXWFTNJPIDOCO-IEBWSBKVSA-N 1 1 347.462 3.840 20 30 EHEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000498289928 1122843891 /nfs/dbraw/zinc/84/38/91/1122843891.db2.gz DMLJXQVZLZDNHO-RBUKOAKNSA-N 1 1 342.483 3.692 20 30 EHEDMO C=CC[N@H+](Cc1cc(=O)n2c(C)csc2n1)CC1CCCCC1 ZINC000069859947 1122844947 /nfs/dbraw/zinc/84/49/47/1122844947.db2.gz LQRMQSNEUVSNTJ-UHFFFAOYSA-N 1 1 331.485 3.633 20 30 EHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000134063488 1123487413 /nfs/dbraw/zinc/48/74/13/1123487413.db2.gz UXOFRYQMXPPOCW-HOTGVXAUSA-N 1 1 337.508 3.942 20 30 EHEDMO COc1cccc(/C=N/C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1O ZINC000921261654 1123500740 /nfs/dbraw/zinc/50/07/40/1123500740.db2.gz SHOJPKPBEKJBNO-OVBDPADQSA-N 1 1 338.451 3.732 20 30 EHEDMO COc1ccc(C)cc1CN1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000609822934 1123670494 /nfs/dbraw/zinc/67/04/94/1123670494.db2.gz VRRBQHVXRHFAOD-SFHVURJKSA-N 1 1 349.478 3.754 20 30 EHEDMO COc1ccc(C)cc1C[NH+]1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000609822934 1123670495 /nfs/dbraw/zinc/67/04/95/1123670495.db2.gz VRRBQHVXRHFAOD-SFHVURJKSA-N 1 1 349.478 3.754 20 30 EHEDMO CCc1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)s1 ZINC000609965150 1123699010 /nfs/dbraw/zinc/69/90/10/1123699010.db2.gz CHKSGVTUKJQNKF-UHFFFAOYSA-N 1 1 329.444 3.643 20 30 EHEDMO CCc1cc(NCc2ccc(OC)c(O[C@H](C#N)CC)c2)nc(C)[nH+]1 ZINC000180436636 1124003110 /nfs/dbraw/zinc/00/31/10/1124003110.db2.gz XTCRRUGNZAQYCC-INIZCTEOSA-N 1 1 340.427 3.649 20 30 EHEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000246197783 1124048794 /nfs/dbraw/zinc/04/87/94/1124048794.db2.gz VECBUNFSWRKPRG-ZHALLVOQSA-N 1 1 325.456 3.586 20 30 EHEDMO C=CC[C@H]1CCCC[C@H]1NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000617037554 1124075388 /nfs/dbraw/zinc/07/53/88/1124075388.db2.gz OLYJBJKRGMTVGK-PKOBYXMFSA-N 1 1 341.499 3.858 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(Cl)c(F)c(Cl)c2)no1 ZINC001212325006 1124665232 /nfs/dbraw/zinc/66/52/32/1124665232.db2.gz FEUVDKMCPDWWNL-NSHDSACASA-N 1 1 328.174 3.986 20 30 EHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(OC(F)(F)F)cc2C)no1 ZINC001212325285 1124665244 /nfs/dbraw/zinc/66/52/44/1124665244.db2.gz MHRFBLUHTIAGLV-ZDUSSCGKSA-N 1 1 339.317 3.747 20 30 EHEDMO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)N1CCC(C)CC1 ZINC000181486495 1124886339 /nfs/dbraw/zinc/88/63/39/1124886339.db2.gz CCUBAVNIKIGVMK-RXVVDRJESA-N 1 1 343.515 3.996 20 30 EHEDMO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735306131 1131329948 /nfs/dbraw/zinc/32/99/48/1131329948.db2.gz IYJBPOMUCOZEEE-QGZVFWFLSA-N 1 1 329.831 3.918 20 30 EHEDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735306131 1131329954 /nfs/dbraw/zinc/32/99/54/1131329954.db2.gz IYJBPOMUCOZEEE-QGZVFWFLSA-N 1 1 329.831 3.918 20 30 EHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)ccc1OCC#N ZINC000735308706 1131333762 /nfs/dbraw/zinc/33/37/62/1131333762.db2.gz PYXXYWUXZOIFIF-UHFFFAOYSA-N 1 1 325.799 3.746 20 30 EHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)ccc1OCC#N ZINC000735308706 1131333768 /nfs/dbraw/zinc/33/37/68/1131333768.db2.gz PYXXYWUXZOIFIF-UHFFFAOYSA-N 1 1 325.799 3.746 20 30 EHEDMO C=C[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000618665659 1125149187 /nfs/dbraw/zinc/14/91/87/1125149187.db2.gz MOUJKOLLMRPJPI-IEBWSBKVSA-N 1 1 326.484 3.870 20 30 EHEDMO COc1cccc(C[N@@H+](C[C@H](C)CCC#N)C2CCC(O)CC2)c1 ZINC000618886992 1125227455 /nfs/dbraw/zinc/22/74/55/1125227455.db2.gz CNXITGIGFVVJBP-IPJUCJBFSA-N 1 1 330.472 3.741 20 30 EHEDMO COc1cc(C[NH2+]CC2(C#N)CC2)ccc1OCc1ccc(F)cc1 ZINC000619535301 1125362269 /nfs/dbraw/zinc/36/22/69/1125362269.db2.gz WMCROYYWFXVXSR-UHFFFAOYSA-N 1 1 340.398 3.807 20 30 EHEDMO C[C@@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)C[N@@H+]1Cc1ccccc1 ZINC000619748375 1125400296 /nfs/dbraw/zinc/40/02/96/1125400296.db2.gz JQSHFWVOOLROLK-DNVCBOLYSA-N 1 1 339.870 3.964 20 30 EHEDMO C[C@@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)C[N@H+]1Cc1ccccc1 ZINC000619748375 1125400298 /nfs/dbraw/zinc/40/02/98/1125400298.db2.gz JQSHFWVOOLROLK-DNVCBOLYSA-N 1 1 339.870 3.964 20 30 EHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000265837858 1129335624 /nfs/dbraw/zinc/33/56/24/1129335624.db2.gz MSXQWQSIRRECOU-OAHLLOKOSA-N 1 1 332.407 3.844 20 30 EHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000543206051 1129336602 /nfs/dbraw/zinc/33/66/02/1129336602.db2.gz LFGGYZJVDREXLT-RXVVDRJESA-N 1 1 325.500 3.839 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2sccc2C#N)cc1 ZINC000080428467 1129355364 /nfs/dbraw/zinc/35/53/64/1129355364.db2.gz JPUBBZOJDYWIFF-LBPRGKRZSA-N 1 1 336.420 3.605 20 30 EHEDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3cc(C#N)cn3C)c2C1 ZINC000081151958 1129403106 /nfs/dbraw/zinc/40/31/06/1129403106.db2.gz GAMOCAMKZSBYSX-UHFFFAOYSA-N 1 1 336.439 3.511 20 30 EHEDMO C[C@H](c1ccco1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000069067391 1129420790 /nfs/dbraw/zinc/42/07/90/1129420790.db2.gz PTHGUKOACXWYSK-GFCCVEGCSA-N 1 1 343.452 3.723 20 30 EHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H](O)CCc1ccccc1 ZINC000543437535 1129489602 /nfs/dbraw/zinc/48/96/02/1129489602.db2.gz XTFOIBGBJCLIFS-BHDDXSALSA-N 1 1 334.463 3.752 20 30 EHEDMO CC[N@H+](Cc1nc2oc(C)c(C)c2c(N)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000154294703 1129547041 /nfs/dbraw/zinc/54/70/41/1129547041.db2.gz INMOHFFZZLOPLR-CYBMUJFWSA-N 1 1 349.438 3.877 20 30 EHEDMO CC[N@@H+](Cc1nc2oc(C)c(C)c2c(N)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000154294703 1129547044 /nfs/dbraw/zinc/54/70/44/1129547044.db2.gz INMOHFFZZLOPLR-CYBMUJFWSA-N 1 1 349.438 3.877 20 30 EHEDMO CCC[N@H+](Cc1cc(C#N)cs1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000092710716 1129557798 /nfs/dbraw/zinc/55/77/98/1129557798.db2.gz UVAUBJNGZSAIAV-AWEZNQCLSA-N 1 1 327.453 3.859 20 30 EHEDMO CCC[N@@H+](Cc1cc(C#N)cs1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000092710716 1129557801 /nfs/dbraw/zinc/55/78/01/1129557801.db2.gz UVAUBJNGZSAIAV-AWEZNQCLSA-N 1 1 327.453 3.859 20 30 EHEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093562978 1129594209 /nfs/dbraw/zinc/59/42/09/1129594209.db2.gz XUOAUWXXKYMDPS-SJLPKXTDSA-N 1 1 330.435 3.892 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)CC[C@@H]1c1ccccc1 ZINC000093668258 1129598214 /nfs/dbraw/zinc/59/82/14/1129598214.db2.gz IPLCZEWRMYERGP-JXFKEZNVSA-N 1 1 330.435 3.832 20 30 EHEDMO N#Cc1cc(N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)nc2ccccc12 ZINC000330312063 1129633712 /nfs/dbraw/zinc/63/37/12/1129633712.db2.gz WCOGTGZBVFVRIF-INIZCTEOSA-N 1 1 343.434 3.633 20 30 EHEDMO CCOc1c(C[NH2+]Cc2ccc(C)c(C#N)c2)c(C)nn1CC(C)C ZINC000922759109 1129653266 /nfs/dbraw/zinc/65/32/66/1129653266.db2.gz LOSOFROGWIWIIY-UHFFFAOYSA-N 1 1 340.471 3.716 20 30 EHEDMO C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000556629011 1129914397 /nfs/dbraw/zinc/91/43/97/1129914397.db2.gz NLQZDJINRMSGKQ-LPHOPBHVSA-N 1 1 330.435 3.974 20 30 EHEDMO Cc1ccc(C#N)c(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000245743156 1130319470 /nfs/dbraw/zinc/31/94/70/1130319470.db2.gz MHYHBPVCHXHAFD-SFTDATJTSA-N 1 1 346.478 3.753 20 30 EHEDMO C[N@@H+]1CCC[C@H](CNCc2cc(C#N)cs2)[C@H]1c1cccs1 ZINC000246184186 1130353860 /nfs/dbraw/zinc/35/38/60/1130353860.db2.gz KQMJWEHUDSGUTB-PBHICJAKSA-N 1 1 331.510 3.854 20 30 EHEDMO C[N@H+]1CCC[C@H](CNCc2cc(C#N)cs2)[C@H]1c1cccs1 ZINC000246184186 1130353865 /nfs/dbraw/zinc/35/38/65/1130353865.db2.gz KQMJWEHUDSGUTB-PBHICJAKSA-N 1 1 331.510 3.854 20 30 EHEDMO C=CCOc1ccc(C[N@@H+](Cc2nc(CC)no2)C(C)(C)C)cc1 ZINC000675549813 1130426370 /nfs/dbraw/zinc/42/63/70/1130426370.db2.gz BCADAUXVVPYCOG-UHFFFAOYSA-N 1 1 329.444 3.998 20 30 EHEDMO C=CCOc1ccc(C[N@H+](Cc2nc(CC)no2)C(C)(C)C)cc1 ZINC000675549813 1130426372 /nfs/dbraw/zinc/42/63/72/1130426372.db2.gz BCADAUXVVPYCOG-UHFFFAOYSA-N 1 1 329.444 3.998 20 30 EHEDMO C=CCOc1cccc(NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000534569630 1130587060 /nfs/dbraw/zinc/58/70/60/1130587060.db2.gz DIBZBXNUABRJJC-LJQANCHMSA-N 1 1 337.423 3.560 20 30 EHEDMO C=CCOc1cccc(NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000534569630 1130587062 /nfs/dbraw/zinc/58/70/62/1130587062.db2.gz DIBZBXNUABRJJC-LJQANCHMSA-N 1 1 337.423 3.560 20 30 EHEDMO C=CCN(CCc1ccccc1)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000536050079 1130591593 /nfs/dbraw/zinc/59/15/93/1130591593.db2.gz NHZZXILNEMGZFU-NRFANRHFSA-N 1 1 349.478 3.613 20 30 EHEDMO C=CCN(CCc1ccccc1)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000536050079 1130591597 /nfs/dbraw/zinc/59/15/97/1130591597.db2.gz NHZZXILNEMGZFU-NRFANRHFSA-N 1 1 349.478 3.613 20 30 EHEDMO C=CCSc1nc2ccccc2n1C[N@@H+](C)C[C@H]1CCCOC1 ZINC000730804658 1130740893 /nfs/dbraw/zinc/74/08/93/1130740893.db2.gz XZLKPMWSPFPQHD-OAHLLOKOSA-N 1 1 331.485 3.630 20 30 EHEDMO C#CCOCC[N@H+](C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001168765507 1130772816 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COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000739914787 1131516407 /nfs/dbraw/zinc/51/64/07/1131516407.db2.gz KSCMCTVKVIFCMM-GOSISDBHSA-N 1 1 326.440 3.819 20 30 EHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCC2(CCCCC2)C1 ZINC000739914787 1131516411 /nfs/dbraw/zinc/51/64/11/1131516411.db2.gz KSCMCTVKVIFCMM-GOSISDBHSA-N 1 1 326.440 3.819 20 30 EHEDMO C[C@H](CCCC#N)[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccs1)C2 ZINC001172496286 1131759377 /nfs/dbraw/zinc/75/93/77/1131759377.db2.gz ZHYBTIFHEBDWRD-APWZRJJASA-N 1 1 345.512 3.759 20 30 EHEDMO CC(C)CN1c2ccccc2[C@]2(CC[N@H+]([C@H](C)CCCC#N)C2)C1=O ZINC001172497723 1131759900 /nfs/dbraw/zinc/75/99/00/1131759900.db2.gz GABYHMAQTCKFIW-DYESRHJHSA-N 1 1 339.483 3.715 20 30 EHEDMO C[C@H](CCCC#N)[N@@H+](Cc1ccccc1)[C@@H]1CCCN2C(=O)OC[C@H]12 ZINC001172499966 1131760539 /nfs/dbraw/zinc/76/05/39/1131760539.db2.gz HMTQHSZYUGJGQB-BHIYHBOVSA-N 1 1 341.455 3.554 20 30 EHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001172509847 1131763693 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OGTUUOGDWOZUCG-IRXDYDNUSA-N 1 1 347.434 3.549 20 30 EHEDMO C[N@@H+](CCc1cccs1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172985707 1131925798 /nfs/dbraw/zinc/92/57/98/1131925798.db2.gz RKUQBDJTEAMPDK-CABCVRRESA-N 1 1 349.500 3.514 20 30 EHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)c1cc(C)cc(C)c1 ZINC000743842076 1131981793 /nfs/dbraw/zinc/98/17/93/1131981793.db2.gz BGSFJFNBGBZARJ-FQEVSTJZSA-N 1 1 340.423 3.933 20 30 EHEDMO C=CCOC1CCC([N@H+](Cc2ccccc2)[C@@H](C)CC(=O)OC)CC1 ZINC001173322492 1132045567 /nfs/dbraw/zinc/04/55/67/1132045567.db2.gz FKIWBMVZQOHRHF-KKXNLOMOSA-N 1 1 345.483 3.954 20 30 EHEDMO C=CCOC1CCC([N@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)CC1 ZINC001173321938 1132045718 /nfs/dbraw/zinc/04/57/18/1132045718.db2.gz SGWFNZLSIWZGSX-UYSNPLJNSA-N 1 1 325.449 3.526 20 30 EHEDMO N#CCC1CCC([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001173326392 1132048411 /nfs/dbraw/zinc/04/84/11/1132048411.db2.gz YNGAYHFQBKBABC-CKHPTIKVSA-N 1 1 325.500 3.961 20 30 EHEDMO C[C@H]1CC[N@H+](C2CCC(CC#N)CC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001173332211 1132050743 /nfs/dbraw/zinc/05/07/43/1132050743.db2.gz XFQGYEGYNJQZGR-NALMEZQBSA-N 1 1 349.519 3.942 20 30 EHEDMO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@H+]2C1CCC(CC#N)CC1 ZINC001173335186 1132051174 /nfs/dbraw/zinc/05/11/74/1132051174.db2.gz CITCGSFZISURJR-BHUNQDJPSA-N 1 1 333.476 3.543 20 30 EHEDMO N#CCC1CCC([N@@H+]2CCCC[C@@H]2[C@H](C(N)=O)c2ccccc2)CC1 ZINC001173337502 1132052900 /nfs/dbraw/zinc/05/29/00/1132052900.db2.gz MHPRYWBGEOHECO-PEVDHWGLSA-N 1 1 339.483 3.582 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@H+](C3CCC(CC#N)CC3)C[C@@H]21 ZINC001173336307 1132053490 /nfs/dbraw/zinc/05/34/90/1132053490.db2.gz VYCDUYCGPQFUQA-FPQWYMTMSA-N 1 1 347.503 3.790 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173340974 1132054845 /nfs/dbraw/zinc/05/48/45/1132054845.db2.gz OMHDRBFZCXXMKC-LADRWXRNSA-N 1 1 335.492 3.696 20 30 EHEDMO COC(=O)CCCC[C@@H](C)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F ZINC001173438479 1132069633 /nfs/dbraw/zinc/06/96/33/1132069633.db2.gz PCJKAUUAVLJQNF-MRVPVSSYSA-N 1 1 341.267 3.531 20 30 EHEDMO N#CC[C@@H]1CCC[N@H+](C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001173422450 1132071044 /nfs/dbraw/zinc/07/10/44/1132071044.db2.gz LXYRDMUIOHNEBJ-HNNXBMFYSA-N 1 1 345.874 3.570 20 30 EHEDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](C3CCC(C)(C#N)CC3)CC[C@@H]2C1 ZINC001173593553 1132097942 /nfs/dbraw/zinc/09/79/42/1132097942.db2.gz LDSJLNKQKUZEIK-JFBVMJNESA-N 1 1 347.503 3.648 20 30 EHEDMO CCCCCCCCOC(=O)C[NH2+][C@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173634177 1132111002 /nfs/dbraw/zinc/11/10/02/1132111002.db2.gz FRQGEXDCIRJHKF-IRXDYDNUSA-N 1 1 341.492 3.602 20 30 EHEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](CC(C)C)C2)cc1 ZINC000745946389 1132334411 /nfs/dbraw/zinc/33/44/11/1132334411.db2.gz BVQMVOOCIZKXFI-OALUTQOASA-N 1 1 341.499 3.998 20 30 EHEDMO C=CC[N@@H+](Cc1oc(-c2ccccc2)nc1C(=O)OCC)C(C)C ZINC000745983272 1132343160 /nfs/dbraw/zinc/34/31/60/1132343160.db2.gz KKIULUJFVZJXIN-UHFFFAOYSA-N 1 1 328.412 3.915 20 30 EHEDMO C=CC[N@H+](Cc1oc(-c2ccccc2)nc1C(=O)OCC)C(C)C ZINC000745983272 1132343169 /nfs/dbraw/zinc/34/31/69/1132343169.db2.gz KKIULUJFVZJXIN-UHFFFAOYSA-N 1 1 328.412 3.915 20 30 EHEDMO CN1CC[NH+](Cc2cccc(Nc3ccc(Cl)c(C#N)c3)c2)CC1 ZINC001174403582 1132345816 /nfs/dbraw/zinc/34/58/16/1132345816.db2.gz VEQQDJAPVAXGQW-UHFFFAOYSA-N 1 1 340.858 3.703 20 30 EHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@H]1c1ccccc1 ZINC000746055779 1132358125 /nfs/dbraw/zinc/35/81/25/1132358125.db2.gz FNNYSKKUMMAQQK-NRFANRHFSA-N 1 1 347.462 3.947 20 30 EHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@H]1c1ccccc1 ZINC000746055779 1132358133 /nfs/dbraw/zinc/35/81/33/1132358133.db2.gz FNNYSKKUMMAQQK-NRFANRHFSA-N 1 1 347.462 3.947 20 30 EHEDMO C[N@H+]1CCc2c(C#N)c(Nc3cccc(N4CCCC4)c3)sc2C1 ZINC001174485610 1132369502 /nfs/dbraw/zinc/36/95/02/1132369502.db2.gz MUZLWGDIFGDTBC-UHFFFAOYSA-N 1 1 338.480 3.951 20 30 EHEDMO C#CC(C)(C)[N@H+](C)CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001169243091 1132707662 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C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(OCC)cc1O ZINC000769188864 1133242314 /nfs/dbraw/zinc/24/23/14/1133242314.db2.gz QCZOKVFVKJEGDT-UHFFFAOYSA-N 1 1 342.395 3.887 20 30 EHEDMO C#CCCOc1ccc(C[N@H+](C)Cc2c(C)nc3sccn23)cc1 ZINC000769306568 1133257511 /nfs/dbraw/zinc/25/75/11/1133257511.db2.gz ABBLVTZUMUFVDO-UHFFFAOYSA-N 1 1 339.464 3.738 20 30 EHEDMO C#CCCOc1ccc(C[N@@H+](C)Cc2c(C)nc3sccn23)cc1 ZINC000769306568 1133257515 /nfs/dbraw/zinc/25/75/15/1133257515.db2.gz ABBLVTZUMUFVDO-UHFFFAOYSA-N 1 1 339.464 3.738 20 30 EHEDMO CCN(C)c1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000773816626 1133262256 /nfs/dbraw/zinc/26/22/56/1133262256.db2.gz LWMDRPCVGRMNJJ-NRFANRHFSA-N 1 1 335.451 3.588 20 30 EHEDMO CCN(C)c1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000773816626 1133262262 /nfs/dbraw/zinc/26/22/62/1133262262.db2.gz LWMDRPCVGRMNJJ-NRFANRHFSA-N 1 1 335.451 3.588 20 30 EHEDMO CC[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000769483808 1133288609 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CCCCCCC[C@H](C)C(=O)Nc1cccnc1N1CC[NH+](C)CC1 ZINC001181111626 1133452566 /nfs/dbraw/zinc/45/25/66/1133452566.db2.gz GTIOLZFKMUCTRS-KRWDZBQOSA-N 1 1 346.519 3.769 20 30 EHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cc2ccncc2s1 ZINC001182139663 1133577812 /nfs/dbraw/zinc/57/78/12/1133577812.db2.gz MXSZXLNXKOMSFN-UHFFFAOYSA-N 1 1 337.448 3.817 20 30 EHEDMO CCCC[N@@H+](CC)[C@@H](C(=O)NCC1(C#N)CCC1)c1ccccc1 ZINC001182236364 1133596622 /nfs/dbraw/zinc/59/66/22/1133596622.db2.gz QUTOERNDFNRMAE-GOSISDBHSA-N 1 1 327.472 3.660 20 30 EHEDMO C[N@H+](Cc1ccccc1)[C@@H](C(=O)N1CCC[C@H](C#N)C1)c1ccccc1 ZINC001182241811 1133605699 /nfs/dbraw/zinc/60/56/99/1133605699.db2.gz SKPOVBSZDDCASO-TZIWHRDSSA-N 1 1 347.462 3.622 20 30 EHEDMO C[N@@H+](Cc1ccccc1)[C@@H](C(=O)N1CCC[C@H](C#N)C1)c1ccccc1 ZINC001182241811 1133605704 /nfs/dbraw/zinc/60/57/04/1133605704.db2.gz SKPOVBSZDDCASO-TZIWHRDSSA-N 1 1 347.462 3.622 20 30 EHEDMO C#CC[N@@H+](Cc1ccc(N2CCCC2)nc1)[C@H]1CCc2ccccc21 ZINC000772598462 1133707028 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HGEUTBXETBKMDS-KRWDZBQOSA-N 1 1 346.377 3.715 20 30 EHEDMO C#CC[C@@H](NC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000775774579 1135690455 /nfs/dbraw/zinc/69/04/55/1135690455.db2.gz OCYNPIQGDCZXRE-WIYYLYMNSA-N 1 1 349.478 3.571 20 30 EHEDMO CCC(CC)[N@H+](CC)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000808782551 1135736726 /nfs/dbraw/zinc/73/67/26/1135736726.db2.gz XRKNMQSAKRTBJD-CQSZACIVSA-N 1 1 329.469 3.983 20 30 EHEDMO CCC(CC)[N@@H+](CC)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000808782551 1135736729 /nfs/dbraw/zinc/73/67/29/1135736729.db2.gz XRKNMQSAKRTBJD-CQSZACIVSA-N 1 1 329.469 3.983 20 30 EHEDMO CCC[N@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)CC1CC1 ZINC000747530461 1135749827 /nfs/dbraw/zinc/74/98/27/1135749827.db2.gz LTZPQOHNDMXXMA-UHFFFAOYSA-N 1 1 327.472 3.672 20 30 EHEDMO C=CCCC[N@H+](CC)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC001198457849 1135817062 /nfs/dbraw/zinc/81/70/62/1135817062.db2.gz MGSHTJLXHNBYCV-GOSISDBHSA-N 1 1 327.472 3.918 20 30 EHEDMO CC(C)(C)OC(=O)NC[C@]12C[N@@H+](CCCCC#N)C[C@@H]1CCCC2 ZINC001198838373 1135863099 /nfs/dbraw/zinc/86/30/99/1135863099.db2.gz XDAROZPWCPZDJD-QFBILLFUSA-N 1 1 335.492 3.697 20 30 EHEDMO C#Cc1ccc(C[N@H+]2CCOC[C@H]2Cc2c[nH]c3ccccc23)cc1 ZINC000809661251 1135869898 /nfs/dbraw/zinc/86/98/98/1135869898.db2.gz YKBTVFKNAWJHJA-HXUWFJFHSA-N 1 1 330.431 3.593 20 30 EHEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000809772387 1135881422 /nfs/dbraw/zinc/88/14/22/1135881422.db2.gz XKSPZLQIQYGODI-RDJZCZTQSA-N 1 1 346.471 3.739 20 30 EHEDMO Cc1ccccc1C=NOC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000809992210 1135910131 /nfs/dbraw/zinc/91/01/31/1135910131.db2.gz RXBFPUVGPBDIBH-NRFANRHFSA-N 1 1 338.451 3.637 20 30 EHEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000810033882 1135917148 /nfs/dbraw/zinc/91/71/48/1135917148.db2.gz JSGPUXXUUXRPJC-KRWDZBQOSA-N 1 1 335.492 3.840 20 30 EHEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000810227157 1135940439 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C#Cc1ccccc1CC(=O)O[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000810662529 1135995703 /nfs/dbraw/zinc/99/57/03/1135995703.db2.gz DSZHCICZZWZGDM-GCJKJVERSA-N 1 1 347.458 3.664 20 30 EHEDMO CC(C)(C)C[N@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001201436495 1136024809 /nfs/dbraw/zinc/02/48/09/1136024809.db2.gz YPJXDMXPZLKQEM-OAQYLSRUSA-N 1 1 341.499 3.523 20 30 EHEDMO CC(C)(C)OC(=O)NCc1cc(Nc2ccc(C#N)cc2F)cc[nH+]1 ZINC001201560868 1136040899 /nfs/dbraw/zinc/04/08/99/1136040899.db2.gz CKYYJXBRRZPHHS-UHFFFAOYSA-N 1 1 342.374 3.861 20 30 EHEDMO CCCCCCC[NH+]1CCC(N2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001201762857 1136061330 /nfs/dbraw/zinc/06/13/30/1136061330.db2.gz XTQGNWYKPKBMEV-SFHVURJKSA-N 1 1 338.536 3.696 20 30 EHEDMO CCCCCCCN1CCC([N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001201762857 1136061333 /nfs/dbraw/zinc/06/13/33/1136061333.db2.gz XTQGNWYKPKBMEV-SFHVURJKSA-N 1 1 338.536 3.696 20 30 EHEDMO CCCCCCCN1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001201762857 1136061334 /nfs/dbraw/zinc/06/13/34/1136061334.db2.gz XTQGNWYKPKBMEV-SFHVURJKSA-N 1 1 338.536 3.696 20 30 EHEDMO CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)c3cscn3)CC[C@@H]2C1 ZINC001201776946 1136065573 /nfs/dbraw/zinc/06/55/73/1136065573.db2.gz PQKUYANWHXDTGE-CVEARBPZSA-N 1 1 335.517 3.507 20 30 EHEDMO CCCCCCCCCC[N@@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001201852540 1136066759 /nfs/dbraw/zinc/06/67/59/1136066759.db2.gz CJFUUYVOCPIQHV-SFHVURJKSA-N 1 1 336.524 3.984 20 30 EHEDMO CCCCCCCCCC[N@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001201852540 1136066762 /nfs/dbraw/zinc/06/67/62/1136066762.db2.gz CJFUUYVOCPIQHV-SFHVURJKSA-N 1 1 336.524 3.984 20 30 EHEDMO CCCCCCCC[N@H+]1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001201825963 1136067907 /nfs/dbraw/zinc/06/79/07/1136067907.db2.gz JOKLKAFOTDKTIX-UHFFFAOYSA-N 1 1 335.540 3.685 20 30 EHEDMO CCCCCCCCCCS(=O)(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001201837899 1136069089 /nfs/dbraw/zinc/06/90/89/1136069089.db2.gz BCDMCYJPHWSCDB-GOSISDBHSA-N 1 1 346.581 3.778 20 30 EHEDMO Cc1cc(CN=Cc2cc3ccccc3[nH]c2=O)cc(N2CCCC2)[nH+]1 ZINC000811625130 1136110985 /nfs/dbraw/zinc/11/09/85/1136110985.db2.gz DRYNYZBXYJGIOI-HYARGMPZSA-N 1 1 346.434 3.863 20 30 EHEDMO Cc1[nH+]ccn1-c1ncccc1CNc1ccc2cc(C#N)ccc2n1 ZINC000811825186 1136146515 /nfs/dbraw/zinc/14/65/15/1136146515.db2.gz FBNCUDRYPKVVAN-UHFFFAOYSA-N 1 1 340.390 3.608 20 30 EHEDMO C=CCCO[C@H](C)C(=O)OC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000747771674 1136182465 /nfs/dbraw/zinc/18/24/65/1136182465.db2.gz DNHLVTRJTHJAHM-YLJYHZDGSA-N 1 1 331.456 3.566 20 30 EHEDMO C#C[C@@H](NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)c1ccc(F)cc1 ZINC000812754150 1136243361 /nfs/dbraw/zinc/24/33/61/1136243361.db2.gz JTQZUMZIPLEMOO-MSOLQXFVSA-N 1 1 344.817 3.573 20 30 EHEDMO CCc1c(C)sc(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)c1C#N ZINC000812969385 1136275545 /nfs/dbraw/zinc/27/55/45/1136275545.db2.gz RTOAHGNSYKXAFH-QGZVFWFLSA-N 1 1 337.464 3.642 20 30 EHEDMO C=CC(C)(C)CCOC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000851300498 1136363773 /nfs/dbraw/zinc/36/37/73/1136363773.db2.gz UUGDDBWGJANHLJ-UHFFFAOYSA-N 1 1 335.354 3.964 20 30 EHEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000851860675 1136414107 /nfs/dbraw/zinc/41/41/07/1136414107.db2.gz KHZKIGGMUHZDCQ-SFTDATJTSA-N 1 1 338.426 3.828 20 30 EHEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000814169939 1136415020 /nfs/dbraw/zinc/41/50/20/1136415020.db2.gz OSBYPUHWIMACRV-CVEARBPZSA-N 1 1 325.786 3.829 20 30 EHEDMO C#C[C@](C)(CC)[NH2+]Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000852098488 1136432930 /nfs/dbraw/zinc/43/29/30/1136432930.db2.gz ONCPLULNVWOWAZ-GOSISDBHSA-N 1 1 330.453 3.719 20 30 EHEDMO CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000852319304 1136448013 /nfs/dbraw/zinc/44/80/13/1136448013.db2.gz JTWSHOHUWKHNKT-IRXDYDNUSA-N 1 1 335.492 3.649 20 30 EHEDMO C#CCC[NH+]1CCN([C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000776592698 1136453992 /nfs/dbraw/zinc/45/39/92/1136453992.db2.gz KMLCROCXTQZRNS-OAHLLOKOSA-N 1 1 343.858 3.697 20 30 EHEDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)cc1F ZINC000852521357 1136462169 /nfs/dbraw/zinc/46/21/69/1136462169.db2.gz OAPRZCOZCZMRLN-RBUKOAKNSA-N 1 1 340.398 3.576 20 30 EHEDMO C[C@@H]1CCC[N@@H+](CC2(C#N)CC2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC000852598688 1136470047 /nfs/dbraw/zinc/47/00/47/1136470047.db2.gz VUNZHUQMADNVBO-HZPDHXFCSA-N 1 1 335.492 3.696 20 30 EHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000852685671 1136477695 /nfs/dbraw/zinc/47/76/95/1136477695.db2.gz IASSFCNHVGPVCY-AHRSYUTCSA-N 1 1 339.483 3.797 20 30 EHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000747969948 1136498185 /nfs/dbraw/zinc/49/81/85/1136498185.db2.gz UJWHRCLZFQNOCF-MAUKXSAKSA-N 1 1 343.471 3.683 20 30 EHEDMO CCOc1ccc(N[NH+]=Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000814984817 1136535400 /nfs/dbraw/zinc/53/54/00/1136535400.db2.gz UZTHIEMZRDFPKS-UHFFFAOYSA-N 1 1 343.402 3.507 20 30 EHEDMO C=CCC(F)(F)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000815094739 1136555079 /nfs/dbraw/zinc/55/50/79/1136555079.db2.gz NPPXJFHJLUDVED-UHFFFAOYSA-N 1 1 329.416 3.669 20 30 EHEDMO N#Cc1cccc(COC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c1F ZINC000815444878 1136596215 /nfs/dbraw/zinc/59/62/15/1136596215.db2.gz MERHHVYQTAJDAM-QGZVFWFLSA-N 1 1 330.403 3.538 20 30 EHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@H]2C2CCOCC2)c1O ZINC000776770622 1136659321 /nfs/dbraw/zinc/65/93/21/1136659321.db2.gz WNPKDFFIQQPKTA-IBGZPJMESA-N 1 1 331.456 3.520 20 30 EHEDMO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cccnc2Cl)ccc1OC ZINC000113348010 1136697410 /nfs/dbraw/zinc/69/74/10/1136697410.db2.gz XHJHLDCZZLFYLX-HNNXBMFYSA-N 1 1 345.830 3.714 20 30 EHEDMO Cc1oc(C#N)cc1C(=O)O[C@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000816469115 1136720113 /nfs/dbraw/zinc/72/01/13/1136720113.db2.gz SNZYBMNEJQWOBM-KUHUBIRLSA-N 1 1 338.407 3.670 20 30 EHEDMO CN(C)c1ccc([C@@H]([NH3+])CN[C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000817944055 1136849839 /nfs/dbraw/zinc/84/98/39/1136849839.db2.gz XCMRIDHBVSVGKG-VXKWHMMOSA-N 1 1 348.494 3.681 20 30 EHEDMO C=C[C@H](C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC001136201107 1136926374 /nfs/dbraw/zinc/92/63/74/1136926374.db2.gz VQEOPTZHTBFXQY-VXKWHMMOSA-N 1 1 348.490 3.909 20 30 EHEDMO Cn1c2ccc(NC[C@@H](O)c3ccc(C#N)cc3)cc2[nH+]c1C(C)(C)C ZINC000819462733 1136947403 /nfs/dbraw/zinc/94/74/03/1136947403.db2.gz USGHBUYHPZNIKP-LJQANCHMSA-N 1 1 348.450 3.888 20 30 EHEDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000858847390 1136994487 /nfs/dbraw/zinc/99/44/87/1136994487.db2.gz HTAFPVTUOKAJHG-UHFFFAOYSA-N 1 1 341.499 3.559 20 30 EHEDMO Cc1ccc(C[N@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)cc1C#N ZINC000859296460 1137010944 /nfs/dbraw/zinc/01/09/44/1137010944.db2.gz JWFLXZJKJQDMEB-FQEVSTJZSA-N 1 1 343.471 3.603 20 30 EHEDMO CC(C)n1cc(C2=CCC[N@H+](Cc3ccc(F)cc3C#N)CC2)nn1 ZINC000821679469 1137035671 /nfs/dbraw/zinc/03/56/71/1137035671.db2.gz RRWBKPZMYLOUEB-UHFFFAOYSA-N 1 1 339.418 3.549 20 30 EHEDMO CC(C)n1cc(C2=CCC[N@@H+](Cc3ccc(F)cc3C#N)CC2)nn1 ZINC000821679469 1137035673 /nfs/dbraw/zinc/03/56/73/1137035673.db2.gz RRWBKPZMYLOUEB-UHFFFAOYSA-N 1 1 339.418 3.549 20 30 EHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000823616897 1137106607 /nfs/dbraw/zinc/10/66/07/1137106607.db2.gz DFBNZAXGHZSHGF-RDJZCZTQSA-N 1 1 343.471 3.808 20 30 EHEDMO C#CC[C@@H]1CC[N@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000862446816 1137145256 /nfs/dbraw/zinc/14/52/56/1137145256.db2.gz FSOZYEFEVJAASI-CYBMUJFWSA-N 1 1 329.241 3.843 20 30 EHEDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000824797781 1137152770 /nfs/dbraw/zinc/15/27/70/1137152770.db2.gz ZASYAPIMJQOVRJ-HNNXBMFYSA-N 1 1 343.471 3.587 20 30 EHEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(F)c2ccccc2c1 ZINC001171072227 1137157608 /nfs/dbraw/zinc/15/76/08/1137157608.db2.gz CWIBDRIIHCYKRO-SFHVURJKSA-N 1 1 330.403 3.618 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c[nH]c3cccc(F)c13)C2 ZINC001136983436 1137163684 /nfs/dbraw/zinc/16/36/84/1137163684.db2.gz SDPINKCXDKFRPO-JXFKEZNVSA-N 1 1 344.430 3.633 20 30 EHEDMO CCOC(=O)CCC1CC[NH+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143726001 1137194108 /nfs/dbraw/zinc/19/41/08/1137194108.db2.gz BEAUGONVUYZDAT-UHFFFAOYSA-N 1 1 334.847 3.767 20 30 EHEDMO C=CCc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c(O)c(OC)c1 ZINC000794667279 1137222473 /nfs/dbraw/zinc/22/24/73/1137222473.db2.gz ZVHGVHCIMMIBEO-SMDDNHRTSA-N 1 1 329.362 3.902 20 30 EHEDMO COc1ccc(OC(F)(F)F)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001144005677 1137225082 /nfs/dbraw/zinc/22/50/82/1137225082.db2.gz ZZUYRKKSDMVWEV-GFCCVEGCSA-N 1 1 328.334 3.719 20 30 EHEDMO N#Cc1cc2ccccc2nc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000772905002 1137229686 /nfs/dbraw/zinc/22/96/86/1137229686.db2.gz SORLJMFUFQMMNB-UZLBHIALSA-N 1 1 332.451 3.560 20 30 EHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)nc1 ZINC001144163082 1137246812 /nfs/dbraw/zinc/24/68/12/1137246812.db2.gz LGJVLAZTKLYRHN-IBGZPJMESA-N 1 1 341.842 3.788 20 30 EHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)nc1 ZINC001144163082 1137246813 /nfs/dbraw/zinc/24/68/13/1137246813.db2.gz LGJVLAZTKLYRHN-IBGZPJMESA-N 1 1 341.842 3.788 20 30 EHEDMO N#Cc1ccc(CN2CCC[C@H]([N@@H+](Cc3ccccc3)C3CC3)C2)nc1 ZINC001144166370 1137248300 /nfs/dbraw/zinc/24/83/00/1137248300.db2.gz BIUMGRJJZWCHGX-QFIPXVFZSA-N 1 1 346.478 3.582 20 30 EHEDMO N#Cc1ccc(-c2ccn(C[N@H+]3CCC[C@]4(CC4(F)F)C3)n2)cc1 ZINC000844747094 1137249576 /nfs/dbraw/zinc/24/95/76/1137249576.db2.gz IRZKUSPICLSWMM-KRWDZBQOSA-N 1 1 328.366 3.500 20 30 EHEDMO N#Cc1ccc(-c2ccn(C[N@@H+]3CCC[C@]4(CC4(F)F)C3)n2)cc1 ZINC000844747094 1137249577 /nfs/dbraw/zinc/24/95/77/1137249577.db2.gz IRZKUSPICLSWMM-KRWDZBQOSA-N 1 1 328.366 3.500 20 30 EHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1sccc1CC#N ZINC000864894998 1137251208 /nfs/dbraw/zinc/25/12/08/1137251208.db2.gz CXSKIMRMFSFZAB-UHFFFAOYSA-N 1 1 341.480 3.584 20 30 EHEDMO CON=Cc1ccc(C(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)cc1 ZINC000794801504 1137252080 /nfs/dbraw/zinc/25/20/80/1137252080.db2.gz GWOIKHFFSANZOG-UHFFFAOYSA-N 1 1 348.406 3.722 20 30 EHEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1cccc(CC)c1)C2 ZINC001144318598 1137273880 /nfs/dbraw/zinc/27/38/80/1137273880.db2.gz FLLIXHIYDXYHMH-NRFANRHFSA-N 1 1 326.484 3.782 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2CCN(CC3CC3)c3nc(C)ccc3C2)cc1 ZINC001144573272 1137311644 /nfs/dbraw/zinc/31/16/44/1137311644.db2.gz GLIZBPWQZPIQJC-UHFFFAOYSA-N 1 1 331.463 3.604 20 30 EHEDMO C#Cc1ccc(C[N@H+]2CCN(CC3CC3)c3nc(C)ccc3C2)cc1 ZINC001144573272 1137311645 /nfs/dbraw/zinc/31/16/45/1137311645.db2.gz GLIZBPWQZPIQJC-UHFFFAOYSA-N 1 1 331.463 3.604 20 30 EHEDMO C#Cc1ccc(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)cc1 ZINC001144576862 1137311794 /nfs/dbraw/zinc/31/17/94/1137311794.db2.gz TWDHRFHXZKZSFU-MAUKXSAKSA-N 1 1 328.456 3.546 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001171203871 1137322350 /nfs/dbraw/zinc/32/23/50/1137322350.db2.gz QGXDRGQXPPTXLC-XMSQKQJNSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001171203871 1137322352 /nfs/dbraw/zinc/32/23/52/1137322352.db2.gz QGXDRGQXPPTXLC-XMSQKQJNSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@H](Cc1cccc(C#N)c1)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001171203871 1137322353 /nfs/dbraw/zinc/32/23/53/1137322353.db2.gz QGXDRGQXPPTXLC-XMSQKQJNSA-N 1 1 333.479 3.696 20 30 EHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000846048358 1137330347 /nfs/dbraw/zinc/33/03/47/1137330347.db2.gz GIJGZRMZWTWMCW-WMLDXEAASA-N 1 1 347.459 3.667 20 30 EHEDMO C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1cccc(C#N)c1O ZINC000866337712 1137346896 /nfs/dbraw/zinc/34/68/96/1137346896.db2.gz UCKXPHPEKHGBMD-CYBMUJFWSA-N 1 1 325.412 3.687 20 30 EHEDMO COC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1cccc(Cl)c1 ZINC000866358854 1137349075 /nfs/dbraw/zinc/34/90/75/1137349075.db2.gz LAYUINXAKGDSSK-YVEFUNNKSA-N 1 1 330.815 3.956 20 30 EHEDMO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)c(OC)c1 ZINC000866399986 1137351993 /nfs/dbraw/zinc/35/19/93/1137351993.db2.gz UNFJQOMOHMTGMW-STQMWFEESA-N 1 1 326.396 3.693 20 30 EHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)CCCCNC(=O)OC(C)(C)C ZINC001171230521 1137356035 /nfs/dbraw/zinc/35/60/35/1137356035.db2.gz VRBLZCSXRBCEKC-INIZCTEOSA-N 1 1 345.487 3.726 20 30 EHEDMO C=CCCn1cc(C[N@H+](Cc2ccccc2O)C2CCCCC2)nn1 ZINC000846804847 1137368318 /nfs/dbraw/zinc/36/83/18/1137368318.db2.gz QAIZIIFLVZKYTA-UHFFFAOYSA-N 1 1 340.471 3.895 20 30 EHEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(OC)c(OC)c3)n2)C1 ZINC000847022133 1137383231 /nfs/dbraw/zinc/38/32/31/1137383231.db2.gz FQYFJNVCEQSLEA-CQSZACIVSA-N 1 1 342.464 3.673 20 30 EHEDMO C#C[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(OC)c(OC)c3)n2)C1 ZINC000847022133 1137383233 /nfs/dbraw/zinc/38/32/33/1137383233.db2.gz FQYFJNVCEQSLEA-CQSZACIVSA-N 1 1 342.464 3.673 20 30 EHEDMO C[C@H]1CC(N=Nc2ccc(-c3cccc(C(F)(F)F)c3)nn2)C[N@H+]1C ZINC000794980840 1137393270 /nfs/dbraw/zinc/39/32/70/1137393270.db2.gz GJCMJBKKPOIJHC-NSHDSACASA-N 1 1 349.360 3.654 20 30 EHEDMO C[NH+](C)Cc1cc(NC(=O)c2sccc2CC#N)ccc1Cl ZINC000868024579 1137394546 /nfs/dbraw/zinc/39/45/46/1137394546.db2.gz CFJIWDRNANLCIH-UHFFFAOYSA-N 1 1 333.844 3.781 20 30 EHEDMO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000868428858 1137409753 /nfs/dbraw/zinc/40/97/53/1137409753.db2.gz MZFPFPJJVHEWPL-WOJBJXKFSA-N 1 1 348.450 3.517 20 30 EHEDMO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000868428858 1137409755 /nfs/dbraw/zinc/40/97/55/1137409755.db2.gz MZFPFPJJVHEWPL-WOJBJXKFSA-N 1 1 348.450 3.517 20 30 EHEDMO CC(C)[N@H+](C)Cc1nc(-c2cc(Cl)c(C#N)cc2Cl)no1 ZINC001247367355 1137426586 /nfs/dbraw/zinc/42/65/86/1137426586.db2.gz VRONCEJCVNYONY-UHFFFAOYSA-N 1 1 325.199 3.755 20 30 EHEDMO CC(C)[N@@H+](C)Cc1nc(-c2cc(Cl)c(C#N)cc2Cl)no1 ZINC001247367355 1137426587 /nfs/dbraw/zinc/42/65/87/1137426587.db2.gz VRONCEJCVNYONY-UHFFFAOYSA-N 1 1 325.199 3.755 20 30 EHEDMO C[C@H](C#N)c1cccc(C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)c1 ZINC001148623322 1137429935 /nfs/dbraw/zinc/42/99/35/1137429935.db2.gz USAJITXBAKHOAD-UZLBHIALSA-N 1 1 339.483 3.698 20 30 EHEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCC3(CCC3)C1)CCC2 ZINC000348167147 1137449859 /nfs/dbraw/zinc/44/98/59/1137449859.db2.gz IVGNCWOYUAZXBP-UHFFFAOYSA-N 1 1 343.496 3.703 20 30 EHEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CCC1=NN[C@H]1CCCCC1(C)C ZINC000773123122 1137467137 /nfs/dbraw/zinc/46/71/37/1137467137.db2.gz FHFOVFUUTKRZBZ-LPHOPBHVSA-N 1 1 328.504 3.838 20 30 EHEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc(Br)c(C)c2F)no1 ZINC001247967559 1137480642 /nfs/dbraw/zinc/48/06/42/1137480642.db2.gz OHFFLUHGIBCNOV-JTQLQIEISA-N 1 1 326.169 3.523 20 30 EHEDMO C#CC1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001171490050 1137491660 /nfs/dbraw/zinc/49/16/60/1137491660.db2.gz NGPRDIQEIJFWTP-UHFFFAOYSA-N 1 1 344.764 3.643 20 30 EHEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@H]1CCc3cc(F)c(F)c(F)c3C1)CC2 ZINC001171534526 1137493913 /nfs/dbraw/zinc/49/39/13/1137493913.db2.gz WEWBJCGKGXLDEL-INIZCTEOSA-N 1 1 342.364 3.891 20 30 EHEDMO N#Cc1cc(F)ccc1C[N@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC001171524618 1137496534 /nfs/dbraw/zinc/49/65/34/1137496534.db2.gz VNDDCHAGSHRCRL-NRFANRHFSA-N 1 1 338.426 3.861 20 30 EHEDMO C[C@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CCc2ccc(Cl)cc21 ZINC001171718888 1137505737 /nfs/dbraw/zinc/50/57/37/1137505737.db2.gz LCVYHCACIWIQOW-YOEHRIQHSA-N 1 1 332.875 3.746 20 30 EHEDMO C[N@@H+](Cc1ccc(C#N)cc1)C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171926842 1137521293 /nfs/dbraw/zinc/52/12/93/1137521293.db2.gz QGNWXXPBKJIOBB-UHFFFAOYSA-N 1 1 328.456 3.891 20 30 EHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H]1CSc3ccccc3C1)C2 ZINC001172203597 1137540835 /nfs/dbraw/zinc/54/08/35/1137540835.db2.gz IXKGNEGRADEFLG-HBFSDRIKSA-N 1 1 345.508 3.530 20 30 EHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001172309834 1137545937 /nfs/dbraw/zinc/54/59/37/1137545937.db2.gz CFZVQLCITOLPQJ-JTSKRJEESA-N 1 1 345.446 3.904 20 30 EHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001172313388 1137546466 /nfs/dbraw/zinc/54/64/66/1137546466.db2.gz WECMESSXGAKRDT-BDJLRTHQSA-N 1 1 334.345 3.846 20 30 EHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H](C)CCO[C@@H](C)CC)C2 ZINC001172333518 1137551370 /nfs/dbraw/zinc/55/13/70/1137551370.db2.gz YFEZPTZOUVZHOJ-VNTMZGSJSA-N 1 1 339.520 3.654 20 30 EHEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@H]2[C@H]1CC(=O)N2c1cnn(C)c1 ZINC001172359285 1137554461 /nfs/dbraw/zinc/55/44/61/1137554461.db2.gz UUXPLBNAXCHVPR-YTQUADARSA-N 1 1 346.519 3.739 20 30 EHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(CCCOc2cccc(C)c2C)no1 ZINC000872174312 1137575247 /nfs/dbraw/zinc/57/52/47/1137575247.db2.gz HKYQVJWQOAHBFA-AWEZNQCLSA-N 1 1 335.835 3.840 20 30 EHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(OCCC)c(OC)c2)no1 ZINC000872173447 1137575325 /nfs/dbraw/zinc/57/53/25/1137575325.db2.gz UIUBCQGPIKFUDI-LBPRGKRZSA-N 1 1 337.807 3.676 20 30 EHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(OC)c(OC)c2Cl)no1 ZINC000872184168 1137575611 /nfs/dbraw/zinc/57/56/11/1137575611.db2.gz SJTUUUHVEAHSOJ-SECBINFHSA-N 1 1 344.198 3.550 20 30 EHEDMO CC[N@@H+](Cc1cccc(CNC(=O)OC(C)(C)C)c1)C[C@H](C)C#N ZINC000876617298 1137657303 /nfs/dbraw/zinc/65/73/03/1137657303.db2.gz JMQKKBVFXMACPT-OAHLLOKOSA-N 1 1 331.460 3.693 20 30 EHEDMO CC[N@H+](Cc1cccc(CNC(=O)OC(C)(C)C)c1)C[C@H](C)C#N ZINC000876617298 1137657304 /nfs/dbraw/zinc/65/73/04/1137657304.db2.gz JMQKKBVFXMACPT-OAHLLOKOSA-N 1 1 331.460 3.693 20 30 EHEDMO CCC[N@@H+](Cc1cc(C#N)cnc1Cl)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000876758429 1137660513 /nfs/dbraw/zinc/66/05/13/1137660513.db2.gz IXHCMALZIVGCJM-ARFHVFGLSA-N 1 1 333.863 3.632 20 30 EHEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC000877651369 1137684464 /nfs/dbraw/zinc/68/44/64/1137684464.db2.gz XCYWRQGMXRTVBL-CQSZACIVSA-N 1 1 349.475 3.832 20 30 EHEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000877673862 1137685420 /nfs/dbraw/zinc/68/54/20/1137685420.db2.gz SWFPJHWTTNWZQM-IFMALSPDSA-N 1 1 335.447 3.787 20 30 EHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)cc1 ZINC000877823061 1137691986 /nfs/dbraw/zinc/69/19/86/1137691986.db2.gz JREIIOBWBOJANH-IOASZLSFSA-N 1 1 342.361 3.519 20 30 EHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC2(CCOCC2)CO1 ZINC000878004870 1137699062 /nfs/dbraw/zinc/69/90/62/1137699062.db2.gz BUCRJTULCWICHT-HXUWFJFHSA-N 1 1 342.483 3.744 20 30 EHEDMO CCCO[C@H]1CCC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878088046 1137701763 /nfs/dbraw/zinc/70/17/63/1137701763.db2.gz FTEVADJAHPYFFW-SFTDATJTSA-N 1 1 342.483 3.708 20 30 EHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1Cc2ccccc2C[C@H]1C)c1ccccc1 ZINC000878132091 1137703822 /nfs/dbraw/zinc/70/38/22/1137703822.db2.gz KSGZXHINAFPAFA-VGOFRKELSA-N 1 1 332.447 3.874 20 30 EHEDMO CCC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)C[C@@H]1CCCCO1 ZINC000878238831 1137708225 /nfs/dbraw/zinc/70/82/25/1137708225.db2.gz FKILOFVZDKBESV-SFTDATJTSA-N 1 1 342.483 3.708 20 30 EHEDMO CCC[C@@]1(COC)CCC[N@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878523175 1137718768 /nfs/dbraw/zinc/71/87/68/1137718768.db2.gz ZEWRZTQSQYQFHQ-LEWJYISDSA-N 1 1 342.483 3.708 20 30 EHEDMO C[C@@H](C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000878771951 1137727763 /nfs/dbraw/zinc/72/77/63/1137727763.db2.gz ATUUHLUPCUEMFI-SOUVJXGZSA-N 1 1 339.405 3.727 20 30 EHEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000878906726 1137731767 /nfs/dbraw/zinc/73/17/67/1137731767.db2.gz PAVONJJECGOPMZ-INIZCTEOSA-N 1 1 332.382 3.630 20 30 EHEDMO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000879146034 1137739385 /nfs/dbraw/zinc/73/93/85/1137739385.db2.gz ZBHJENDOGTUFTD-NHYWBVRUSA-N 1 1 330.325 3.910 20 30 EHEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000879146034 1137739386 /nfs/dbraw/zinc/73/93/86/1137739386.db2.gz ZBHJENDOGTUFTD-NHYWBVRUSA-N 1 1 330.325 3.910 20 30 EHEDMO C[C@H](c1noc(-c2ccccc2)n1)[N@H+](C)CCc1cccc(C#N)c1 ZINC000879432619 1137747617 /nfs/dbraw/zinc/74/76/17/1137747617.db2.gz DGDAWWHDIFYTSK-OAHLLOKOSA-N 1 1 332.407 3.844 20 30 EHEDMO C[C@H](c1noc(-c2ccccc2)n1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879432619 1137747618 /nfs/dbraw/zinc/74/76/18/1137747618.db2.gz DGDAWWHDIFYTSK-OAHLLOKOSA-N 1 1 332.407 3.844 20 30 EHEDMO N#Cc1cc(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)ccc1F ZINC000879551035 1137750545 /nfs/dbraw/zinc/75/05/45/1137750545.db2.gz YNZUTEUDRBKMDD-UHFFFAOYSA-N 1 1 340.402 3.727 20 30 EHEDMO Cc1csc([C@@H]2CC[N@@H+](CCCOc3ccc(C#N)cc3)C2)n1 ZINC000880011585 1137765392 /nfs/dbraw/zinc/76/53/92/1137765392.db2.gz PMBAUOVMYSTIOO-MRXNPFEDSA-N 1 1 327.453 3.582 20 30 EHEDMO C=CCCC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000880225223 1137771440 /nfs/dbraw/zinc/77/14/40/1137771440.db2.gz RKGQIFSNWUBZJA-NXEWRWPSSA-N 1 1 326.484 3.868 20 30 EHEDMO C[C@@H]1c2sccc2CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000880377994 1137777117 /nfs/dbraw/zinc/77/71/17/1137777117.db2.gz LDHZDOYYBKRVHK-LLVKDONJSA-N 1 1 331.466 3.629 20 30 EHEDMO NC(CCc1ccccc1)=[NH+]OCc1ncc(-c2cccs2)o1 ZINC000131308797 1137850363 /nfs/dbraw/zinc/85/03/63/1137850363.db2.gz CNEWQRFKMISHSF-UHFFFAOYSA-N 1 1 327.409 3.825 20 30 EHEDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000331392896 1137892869 /nfs/dbraw/zinc/89/28/69/1137892869.db2.gz BCMWOTSBTFXHSY-HOTGVXAUSA-N 1 1 349.434 3.515 20 30 EHEDMO C=C[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000331905179 1137925181 /nfs/dbraw/zinc/92/51/81/1137925181.db2.gz IEDWZFOOUHAVAV-AWEZNQCLSA-N 1 1 343.496 3.868 20 30 EHEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000121025664 1137954487 /nfs/dbraw/zinc/95/44/87/1137954487.db2.gz LNNQZMZEQXALKS-GFCCVEGCSA-N 1 1 347.871 3.775 20 30 EHEDMO CSc1ccccc1C[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000348326302 1137960451 /nfs/dbraw/zinc/96/04/51/1137960451.db2.gz HTKQKMXQHLVQNF-UHFFFAOYSA-N 1 1 339.464 3.741 20 30 EHEDMO C[C@@H]1SCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@@H]1c1ccccc1 ZINC000886014038 1138032339 /nfs/dbraw/zinc/03/23/39/1138032339.db2.gz BGVOPWBROKETCE-JQHSSLGASA-N 1 1 330.497 3.610 20 30 EHEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000348369706 1138057944 /nfs/dbraw/zinc/05/79/44/1138057944.db2.gz GWTHIQXMCPCLAA-INIZCTEOSA-N 1 1 346.434 3.662 20 30 EHEDMO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC001204012917 1138101774 /nfs/dbraw/zinc/10/17/74/1138101774.db2.gz AGIIBCJCXCMYPO-UHFFFAOYSA-N 1 1 334.485 3.749 20 30 EHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCc1cccs1 ZINC000072800976 1138107784 /nfs/dbraw/zinc/10/77/84/1138107784.db2.gz PCCKYMGRVRWBSB-MRXNPFEDSA-N 1 1 341.480 3.558 20 30 EHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](Cc4ccccc4)C3)o2)cc1 ZINC000075767097 1138128737 /nfs/dbraw/zinc/12/87/37/1138128737.db2.gz AKRLVRANCYIHKL-GOSISDBHSA-N 1 1 344.418 3.673 20 30 EHEDMO Cc1sc(NC(=O)C[N@@H+](C)[C@H](C)c2ccccc2)c(C#N)c1C ZINC000078729361 1138151520 /nfs/dbraw/zinc/15/15/20/1138151520.db2.gz OKKSOELEWFGCRE-CYBMUJFWSA-N 1 1 327.453 3.868 20 30 EHEDMO Cc1sc(NC(=O)C[N@H+](C)[C@H](C)c2ccccc2)c(C#N)c1C ZINC000078729361 1138151521 /nfs/dbraw/zinc/15/15/21/1138151521.db2.gz OKKSOELEWFGCRE-CYBMUJFWSA-N 1 1 327.453 3.868 20 30 EHEDMO O=C(Nn1cnc2ccccc21)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000080509431 1138163188 /nfs/dbraw/zinc/16/31/88/1138163188.db2.gz WLHZDJKQWCXSRJ-SFHVURJKSA-N 1 1 338.386 3.560 20 30 EHEDMO O=C(Nn1cnc2ccccc21)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000080509431 1138163189 /nfs/dbraw/zinc/16/31/89/1138163189.db2.gz WLHZDJKQWCXSRJ-SFHVURJKSA-N 1 1 338.386 3.560 20 30 EHEDMO CC(C)c1[nH+]ccn1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000123597473 1138272049 /nfs/dbraw/zinc/27/20/49/1138272049.db2.gz LVKHSBYUDOINKC-UHFFFAOYSA-N 1 1 342.468 3.847 20 30 EHEDMO C[N@H+](CCCC1(C#N)CCOCC1)C(C)(C)CN1CCCCCC1 ZINC000337184413 1138488629 /nfs/dbraw/zinc/48/86/29/1138488629.db2.gz CIFBNELNEBCLQU-UHFFFAOYSA-N 1 1 335.536 3.673 20 30 EHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)C(C)(C)CN1CCCCCC1 ZINC000337184413 1138488632 /nfs/dbraw/zinc/48/86/32/1138488632.db2.gz CIFBNELNEBCLQU-UHFFFAOYSA-N 1 1 335.536 3.673 20 30 EHEDMO COCc1ccc([C@H]2CCC[N@H+]2CCOc2cccc(C#N)c2)o1 ZINC000131000446 1138489234 /nfs/dbraw/zinc/48/92/34/1138489234.db2.gz JMOHGCDLKGBEOH-GOSISDBHSA-N 1 1 326.396 3.514 20 30 EHEDMO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2OC)o1 ZINC000131063827 1138494313 /nfs/dbraw/zinc/49/43/13/1138494313.db2.gz CUGPVYBPYDSQAP-KRWDZBQOSA-N 1 1 326.396 3.643 20 30 EHEDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2OC)o1 ZINC000131063827 1138494315 /nfs/dbraw/zinc/49/43/15/1138494315.db2.gz CUGPVYBPYDSQAP-KRWDZBQOSA-N 1 1 326.396 3.643 20 30 EHEDMO N#CCSCCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000131175418 1138500367 /nfs/dbraw/zinc/50/03/67/1138500367.db2.gz BXETYDLOEQTMFB-QGZVFWFLSA-N 1 1 346.521 3.931 20 30 EHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000131856172 1138546449 /nfs/dbraw/zinc/54/64/49/1138546449.db2.gz AQEYHIZUXWJJBC-HNNXBMFYSA-N 1 1 346.450 3.599 20 30 EHEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)C[C@@H]1OCCc2ccccc21 ZINC000337636703 1138628725 /nfs/dbraw/zinc/62/87/25/1138628725.db2.gz CGVBIWLDKXSYBG-NRFANRHFSA-N 1 1 331.419 3.557 20 30 EHEDMO C[N@H+](Cc1cn2ccccc2c1C#N)C[C@@H]1OCCc2ccccc21 ZINC000337636703 1138628727 /nfs/dbraw/zinc/62/87/27/1138628727.db2.gz CGVBIWLDKXSYBG-NRFANRHFSA-N 1 1 331.419 3.557 20 30 EHEDMO Cc1ccccc1[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000337698111 1138646506 /nfs/dbraw/zinc/64/65/06/1138646506.db2.gz VAROXWTVKTWTDG-LJQANCHMSA-N 1 1 347.462 3.731 20 30 EHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cccc(C#N)c2C)cc1 ZINC000337799385 1138670863 /nfs/dbraw/zinc/67/08/63/1138670863.db2.gz HAKHDHVLGRDSFD-HNNXBMFYSA-N 1 1 344.418 3.852 20 30 EHEDMO C=CCC[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000337808045 1138673087 /nfs/dbraw/zinc/67/30/87/1138673087.db2.gz MAEXVKMVZJZXQQ-PKOBYXMFSA-N 1 1 329.488 3.725 20 30 EHEDMO CCN(CC)C(=O)[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000265247849 1138781411 /nfs/dbraw/zinc/78/14/11/1138781411.db2.gz NOKRMEMWLUVBDY-UZLBHIALSA-N 1 1 335.451 3.819 20 30 EHEDMO C=CC[N@H+](Cc1cccs1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000338265165 1138807229 /nfs/dbraw/zinc/80/72/29/1138807229.db2.gz ZYBOQAYOPCVCFW-KRWDZBQOSA-N 1 1 340.492 3.898 20 30 EHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccncc1F ZINC000338357033 1138852950 /nfs/dbraw/zinc/85/29/50/1138852950.db2.gz JIOJCPMMNDFXBA-ZIAGYGMSSA-N 1 1 347.459 3.536 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2F)c(C#N)c1C ZINC000181589794 1139917871 /nfs/dbraw/zinc/91/78/71/1139917871.db2.gz YWDNROCVZGNCLP-QWRGUYRKSA-N 1 1 347.365 3.724 20 30 EHEDMO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(F)cc2F)c(C#N)c1C ZINC000181589832 1139918362 /nfs/dbraw/zinc/91/83/62/1139918362.db2.gz YWDNROCVZGNCLP-MNOVXSKESA-N 1 1 347.365 3.724 20 30 EHEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000183755477 1140057148 /nfs/dbraw/zinc/05/71/48/1140057148.db2.gz ZKDVRMZQJXYMCU-ZBEGNZNMSA-N 1 1 342.270 3.698 20 30 EHEDMO C=C(C)CS(=O)(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000184342691 1140097195 /nfs/dbraw/zinc/09/71/95/1140097195.db2.gz TWFVSWBYMPMKAM-UHFFFAOYSA-N 1 1 336.501 3.769 20 30 EHEDMO C#CCC(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000185860763 1140174494 /nfs/dbraw/zinc/17/44/94/1140174494.db2.gz NNZVDFIDLQKILL-HKUYNNGSSA-N 1 1 326.484 3.547 20 30 EHEDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000186810916 1140222402 /nfs/dbraw/zinc/22/24/02/1140222402.db2.gz YOHNUUNQPAMTCA-UHFFFAOYSA-N 1 1 349.434 3.517 20 30 EHEDMO C[C@H](NCc1ccc(Cl)cc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000187490182 1140257463 /nfs/dbraw/zinc/25/74/63/1140257463.db2.gz BIJRNHDCPJUUGL-HOCLYGCPSA-N 1 1 331.891 3.954 20 30 EHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000189287536 1140333597 /nfs/dbraw/zinc/33/35/97/1140333597.db2.gz CNOWTGZBBZPNRR-MRXNPFEDSA-N 1 1 333.435 3.549 20 30 EHEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=NOCCC(F)(F)F)c1C ZINC000777458103 1140377064 /nfs/dbraw/zinc/37/70/64/1140377064.db2.gz FDNRTQMOMFPHEW-MRXNPFEDSA-N 1 1 345.409 3.892 20 30 EHEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000267628780 1140813986 /nfs/dbraw/zinc/81/39/86/1140813986.db2.gz RZAKTFMBGPXJBT-APWZRJJASA-N 1 1 333.435 3.765 20 30 EHEDMO CN(C)C(=O)Sc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000267650211 1140815885 /nfs/dbraw/zinc/81/58/85/1140815885.db2.gz UGWPKBCNECVEGO-UHFFFAOYSA-N 1 1 339.464 3.964 20 30 EHEDMO Cc1c([C@H](C)[NH2+]Cc2cccc(C#N)c2)nnn1-c1ccc(C)cc1 ZINC000268748064 1140981912 /nfs/dbraw/zinc/98/19/12/1140981912.db2.gz GRGXWXBKAXTTFJ-HNNXBMFYSA-N 1 1 331.423 3.607 20 30 EHEDMO N#Cc1ccc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(F)c1 ZINC000269444980 1141110130 /nfs/dbraw/zinc/11/01/30/1141110130.db2.gz UNBIYRYNBOXLOL-INIZCTEOSA-N 1 1 343.471 3.761 20 30 EHEDMO N#Cc1ccc(C[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)c(F)c1 ZINC000269444980 1141110136 /nfs/dbraw/zinc/11/01/36/1141110136.db2.gz UNBIYRYNBOXLOL-INIZCTEOSA-N 1 1 343.471 3.761 20 30 EHEDMO CC[NH+](CC)Cc1ccccc1CNCc1ccc(C#N)cc1F ZINC000269466793 1141111766 /nfs/dbraw/zinc/11/17/66/1141111766.db2.gz ZAMKEFUFZYWENV-UHFFFAOYSA-N 1 1 325.431 3.829 20 30 EHEDMO COc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1C#N ZINC000269722308 1141138103 /nfs/dbraw/zinc/13/81/03/1141138103.db2.gz UTNYCASIOHMZSP-IRXDYDNUSA-N 1 1 342.464 3.716 20 30 EHEDMO CC[N@@H+](CCc1cccs1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000270780033 1141270271 /nfs/dbraw/zinc/27/02/71/1141270271.db2.gz OKDCVGIVGJOJCS-CYBMUJFWSA-N 1 1 345.468 3.721 20 30 EHEDMO C=CCn1c(SCCn2cc[nH+]c2C)nnc1-c1ccccc1C ZINC000271031637 1141297343 /nfs/dbraw/zinc/29/73/43/1141297343.db2.gz CYVSLTJTLZXPKT-UHFFFAOYSA-N 1 1 339.468 3.737 20 30 EHEDMO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)CC12CCC2 ZINC000271308360 1141343153 /nfs/dbraw/zinc/34/31/53/1141343153.db2.gz HIWUFLKABSWZCI-HNNXBMFYSA-N 1 1 343.496 3.753 20 30 EHEDMO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)CC12CCC2 ZINC000271308360 1141343158 /nfs/dbraw/zinc/34/31/58/1141343158.db2.gz HIWUFLKABSWZCI-HNNXBMFYSA-N 1 1 343.496 3.753 20 30 EHEDMO C=CC[N@H+](Cc1cc(=O)oc2cc(NC(=O)OCC)ccc12)C1CC1 ZINC000271458794 1141373214 /nfs/dbraw/zinc/37/32/14/1141373214.db2.gz PPKZCPUFEXYNPI-UHFFFAOYSA-N 1 1 342.395 3.512 20 30 EHEDMO Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000190460964 564066588 /nfs/dbraw/zinc/06/65/88/564066588.db2.gz GMLXGVIWBDLKBH-INIZCTEOSA-N 1 1 334.533 3.535 20 30 EHEDMO C=CC[N@@H+](Cc1ccc2c(c1)CCC2)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735426283 599069291 /nfs/dbraw/zinc/06/92/91/599069291.db2.gz OMAFTSCYXOXZFT-UHFFFAOYSA-N 1 1 345.450 3.544 20 30 EHEDMO